88
Coordinates from ORCA-job orca E -6139.871204916823
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  N      -4.789398      2.872301      1.758568
88
Coordinates from ORCA-job orca E -6139.914937689856
  N      -2.829448      0.517410      5.012706
  Mo     -3.474059      2.420994      5.025899
  N      -5.084700      2.215273      6.125806
  C      -4.936071      2.319000      7.561914
  C      -3.611657      1.662071      7.968656
  N      -2.525040      2.148629      7.089357
  C      -1.479929      1.128838      6.942754
  C      -2.023294     -0.019507      6.089561
  C      -1.971362      3.426302      7.584034
  C      -1.908769      4.422852      6.408802
  N      -3.130039      4.252863      5.659443
  H      -1.173121     -0.596320      5.692401
  H      -2.611721     -0.710728      6.717986
  H      -0.635277      1.585722      6.414690
  H      -1.137984      0.761093      7.922148
  H      -1.782767      5.443778      6.792198
  H      -1.050854      4.182472      5.766258
  H      -2.645776      3.836543      8.342211
  H      -0.984077      3.281714      8.037620
  H      -5.759832      1.823280      8.096967
  H      -4.937201      3.378770      7.874421
  H      -3.723176      0.585397      7.819627
  H      -3.378483      1.848979      9.025465
  C      -2.643823     -0.184033      3.757920
  C      -3.629297     -1.383586      3.644753
  C      -4.739357     -1.274140      2.626060
  N      -4.839272     -0.169066      1.895695
  C      -5.816498     -0.118942      0.974991
  N      -6.680818     -1.049457      0.671468
  C      -6.631705     -2.186543      1.418646
  C      -7.560947     -3.209611      1.170495
  C      -7.534878     -4.361667      1.924764
  C      -6.580516     -4.525632      2.938257
  C      -5.654302     -3.540856      3.198376
  C      -5.652015     -2.347732      2.443737
  C      -4.143793      5.247055      5.890949
  C      -4.119070      6.512371      4.968210
  C      -4.329559      6.223098      3.517271
  N      -5.602717      6.064714      3.139027
  C      -5.843087      5.809222      1.851445
  N      -4.965268      5.683163      0.879418
  C      -3.653597      5.850303      1.224288
  C      -2.673079      5.759784      0.221695
  C      -1.345528      5.959397      0.533269
  C      -0.962326      6.241618      1.851287
  C      -1.900950      6.320132      2.855153
  C      -3.269598      6.126009      2.573269
  C      -6.389603      1.885247      5.603928
  C      -6.262229      0.698683      4.617751
  C      -7.178511      0.823901      3.445608
  N      -7.067947      1.987387      2.804947
  C      -7.843402      2.203306      1.739395
  N      -8.741455      1.395132      1.239769
  C      -8.880715      0.188009      1.855869
  C      -9.820477     -0.728669      1.346804
  C      -9.978042     -1.957916      1.942866
  C      -9.206949     -2.309837      3.061334
  C      -8.285237     -1.434887      3.582418
  C      -8.097530     -0.161511      3.001870
  H      -2.833035      0.508186      2.932744
  H      -1.609706     -0.557454      3.651305
  H      -4.093030     -1.532351      4.627285
  H      -3.071504     -2.295707      3.404844
  H      -5.865781      0.798866      0.393982
  H      -8.287031     -3.055084      0.384025
  H      -8.254813     -5.146406      1.731897
  H      -6.572965     -5.437392      3.521655
  H      -4.921568     -3.676519      3.983026
  H      -5.121207      4.771050      5.732425
  H      -4.076341      5.634385      6.920534
  H      -4.946982      7.144607      5.298342
  H      -3.172413      7.033816      5.117752
  H      -6.891732      5.685948      1.573312
  H      -2.996288      5.545820     -0.789073
  H      -0.594799      5.901066     -0.244154
  H       0.083937      6.399051      2.079394
  H      -1.585520      6.537033      3.866787
  H      -7.109711      1.644054      6.401284
  H      -6.805495      2.741503      5.045823
  H      -5.235860      0.789784      4.243870
  H      -6.383909     -0.251519      5.141337
  H      -7.701606      3.170023      1.249672
  H     -10.397524     -0.430689      0.481877
  H     -10.697647     -2.663286      1.549272
  H      -9.340700     -3.282029      3.517685
  H      -7.698839     -1.725678      4.444459
  N      -4.245201      2.674294      3.092503
  N      -4.732401      2.824268      1.858826
88
Coordinates from ORCA-job orca E -6139.982452574574
  N      -2.759857      0.461769      5.089253
  Mo     -3.404287      2.369583      5.051795
  N      -5.055504      2.206882      6.103298
  C      -4.939113      2.350433      7.543111
  C      -3.637818      1.688520      8.009143
  N      -2.520444      2.144517      7.147563
  C      -1.472983      1.112316      7.052623
  C      -1.990209     -0.055026      6.206935
  C      -1.977829      3.438377      7.630394
  C      -1.878621      4.412070      6.437145
  N      -3.081383      4.222153      5.653906
  H      -1.126416     -0.640025      5.850274
  H      -2.599944     -0.735198      6.830831
  H      -0.610456      1.556332      6.539103
  H      -1.161044      0.766759      8.052454
  H      -1.765120      5.442773      6.804220
  H      -0.998789      4.161948      5.825359
  H      -2.677250      3.864776      8.358864
  H      -1.004167      3.301974      8.120110
  H      -5.785000      1.879311      8.067794
  H      -4.934213      3.419888      7.827929
  H      -3.755850      0.607217      7.887927
  H      -3.432264      1.903093      9.068693
  C      -2.537073     -0.261298      3.839630
  C      -3.531879     -1.449283      3.672825
  C      -4.575483     -1.270654      2.592520
  N      -4.563899     -0.138027      1.907238
  C      -5.471915      0.020310      0.923009
  N      -6.367792     -0.848789      0.517294
  C      -6.434164     -2.016874      1.218543
  C      -7.412353     -2.965078      0.865162
  C      -7.522417     -4.141121      1.573154
  C      -6.649240     -4.412884      2.643612
  C      -5.673139     -3.505212      3.005669
  C      -5.538848     -2.283491      2.303444
  C      -4.127888      5.205434      5.825190
  C      -4.156556      6.462732      4.890863
  C      -4.344361      6.166947      3.433768
  N      -5.603327      5.928569      3.046607
  C      -5.821896      5.660615      1.746307
  N      -4.926504      5.603040      0.778206
  C      -3.631563      5.853404      1.136949
  C      -2.635052      5.834098      0.139691
  C      -1.323765      6.114476      0.465200
  C      -0.967829      6.410004      1.794387
  C      -1.920329      6.420404      2.791669
  C      -3.274373      6.141576      2.493986
  C      -6.375865      1.878520      5.586484
  C      -6.344555      0.640069      4.656771
  C      -7.288818      0.740107      3.500360
  N      -7.138655      1.838165      2.766890
  C      -7.932726      2.021298      1.701896
  N      -8.890200      1.218841      1.283828
  C      -9.069164      0.068989      2.003100
  C     -10.060107     -0.851949      1.593444
  C     -10.249120     -2.023365      2.296725
  C      -9.468246     -2.310853      3.431849
  C      -8.498481     -1.434404      3.855928
  C      -8.270958     -0.225241      3.159327
  H      -2.691826      0.428144      3.002672
  H      -1.501194     -0.641136      3.774668
  H      -4.050886     -1.601225      4.629379
  H      -2.985482     -2.375829      3.449586
  H      -5.423374      0.965593      0.383364
  H      -8.073980     -2.728086      0.038631
  H      -8.292808     -4.857823      1.301506
  H      -6.748005     -5.345591      3.192105
  H      -5.006944     -3.722223      3.835418
  H      -5.085459      4.693435      5.652286
  H      -4.095940      5.609986      6.851387
  H      -5.023386      7.048350      5.215671
  H      -3.239409      7.039379      5.044812
  H      -6.861484      5.453491      1.458174
  H      -2.936341      5.607500     -0.878886
  H      -0.561596      6.110078     -0.308944
  H       0.068245      6.632026      2.034485
  H      -1.627590      6.648976      3.811779
  H      -7.089561      1.692242      6.405339
  H      -6.767135      2.727286      4.999687
  H      -5.328431      0.643271      4.245067
  H      -6.503809     -0.270078      5.242712
  H      -7.745838      2.949541      1.139329
  H     -10.646617     -0.606044      0.713603
  H     -10.998697     -2.740127      1.976514
  H      -9.629369     -3.238287      3.973127
  H      -7.899637     -1.676491      4.728699
  N      -4.084387      2.585350      3.119147
  N      -4.480357      2.698289      1.965047
88
Coordinates from ORCA-job orca E -6139.998110127860
  N      -2.740326      0.517592      5.017806
  Mo     -3.400698      2.430509      5.038896
  N      -5.064215      2.235156      6.063360
  C      -4.951387      2.340287      7.511969
  C      -3.654381      1.669664      7.972470
  N      -2.526462      2.153547      7.130883
  C      -1.468914      1.127303      7.013289
  C      -1.971703     -0.016521      6.133602
  C      -1.985930      3.440931      7.651739
  C      -1.876278      4.444248      6.484791
  N      -3.078135      4.277767      5.689350
  H      -1.101691     -0.588968      5.768173
  H      -2.580885     -0.715887      6.740774
  H      -0.605093      1.593667      6.518459
  H      -1.160126      0.757629      8.008051
  H      -1.762570      5.468137      6.877005
  H      -0.989308      4.208687      5.874304
  H      -2.691088      3.847386      8.388574
  H      -1.014579      3.287720      8.146493
  H      -5.801152      1.853261      8.018052
  H      -4.949738      3.402703      7.827598
  H      -3.766527      0.589484      7.821601
  H      -3.456583      1.856571      9.041020
  C      -2.509498     -0.197357      3.754879
  C      -3.496479     -1.395991      3.596725
  C      -4.569903     -1.247575      2.538452
  N      -4.605805     -0.126869      1.842641
  C      -5.555343      0.008923      0.884235
  N      -6.450278     -0.886203      0.516192
  C      -6.462704     -2.049257      1.233707
  C      -7.436417     -3.025014      0.927835
  C      -7.498591     -4.193918      1.656003
  C      -6.579007     -4.435664      2.700554
  C      -5.607626     -3.502217      3.014337
  C      -5.524067     -2.286046      2.290919
  C      -4.128161      5.258800      5.869273
  C      -4.139892      6.505473      4.930194
  C      -4.323756      6.165499      3.481615
  N      -5.578892      5.915478      3.098290
  C      -5.790347      5.593949      1.800541
  N      -4.888623      5.498120      0.838370
  C      -3.597030      5.758609      1.198872
  C      -2.587274      5.695524      0.210139
  C      -1.276394      5.980598      0.537616
  C      -0.928320      6.325935      1.862638
  C      -1.891921      6.380577      2.850429
  C      -3.247558      6.098891      2.548220
  C      -6.392425      1.916811      5.536171
  C      -6.378832      0.691922      4.585815
  C      -7.343017      0.787746      3.438957
  N      -7.229054      1.881024      2.692864
  C      -8.055511      2.039441      1.639139
  N      -9.008579      1.211970      1.242967
  C      -9.144549      0.065337      1.976718
  C     -10.120546     -0.887503      1.592744
  C     -10.264895     -2.059620      2.308200
  C      -9.455544     -2.318385      3.435732
  C      -8.500354     -1.410693      3.835013
  C      -8.316550     -0.200786      3.121074
  H      -2.670977      0.495171      2.920091
  H      -1.471558     -0.571077      3.683369
  H      -4.000347     -1.549466      4.563636
  H      -2.940361     -2.319437      3.370382
  H      -5.543868      0.954621      0.337995
  H      -8.135958     -2.810664      0.121730
  H      -8.270544     -4.928481      1.423137
  H      -6.640116     -5.364808      3.267573
  H      -4.905947     -3.695045      3.825483
  H      -5.088472      4.752730      5.688174
  H      -4.102330      5.655502      6.900430
  H      -5.007137      7.102787      5.240430
  H      -3.218454      7.082264      5.080306
  H      -6.829329      5.377130      1.516129
  H      -2.881104      5.429643     -0.804676
  H      -0.504329      5.941192     -0.230951
  H       0.110420      6.550866      2.105099
  H      -1.607164      6.646073      3.867649
  H      -7.095359      1.715239      6.362171
  H      -6.789576      2.776587      4.969539
  H      -5.367591      0.695886      4.156790
  H      -6.528071     -0.226754      5.164905
  H      -7.900599      2.966410      1.065801
  H     -10.730823     -0.665320      0.718082
  H     -10.999863     -2.803885      2.003671
  H      -9.581604     -3.249431      3.987760
  H      -7.875690     -1.629840      4.699583
  N      -4.041279      2.733176      3.147252
  N      -4.378862      2.900037      2.118752
88
Coordinates from ORCA-job orca E -6140.008898880398
  N      -2.705582      0.527248      5.003438
  Mo     -3.399196      2.429965      5.053213
  N      -5.079164      2.232122      6.050353
  C      -4.977436      2.322222      7.502127
  C      -3.690460      1.643995      7.971879
  N      -2.549259      2.137907      7.150757
  C      -1.479676      1.120950      7.032214
  C      -1.950874     -0.014522      6.126553
  C      -2.016011      3.426396      7.683249
  C      -1.879907      4.430645      6.518294
  N      -3.070346      4.283294      5.700427
  H      -1.067460     -0.573995      5.771330
  H      -2.561874     -0.731516      6.713466
  H      -0.615316      1.608877      6.557949
  H      -1.178388      0.743763      8.027645
  H      -1.763622      5.453950      6.914495
  H      -0.980392      4.193369      5.925782
  H      -2.732305      3.830097      8.411853
  H      -1.054267      3.264308      8.196146
  H      -5.835825      1.835171      7.995114
  H      -4.974570      3.381551      7.829957
  H      -3.796631      0.564009      7.809495
  H      -3.505125      1.820886      9.045404
  C      -2.478071     -0.191579      3.740597
  C      -3.428906     -1.415194      3.582559
  C      -4.507782     -1.278986      2.528350
  N      -4.565965     -0.152104      1.841478
  C      -5.538248     -0.011968      0.905305
  N      -6.432013     -0.910230      0.546152
  C      -6.416729     -2.082317      1.251047
  C      -7.396033     -3.059046      0.963095
  C      -7.445193     -4.227706      1.692692
  C      -6.500688     -4.474565      2.714103
  C      -5.521857     -3.542912      3.006928
  C      -5.457667     -2.323601      2.288096
  C      -4.110755      5.274284      5.874656
  C      -4.094907      6.515407      4.931535
  C      -4.307334      6.173590      3.487682
  N      -5.571002      5.944543      3.124475
  C      -5.807911      5.635703      1.827762
  N      -4.928646      5.549869      0.845480
  C      -3.626815      5.777364      1.188791
  C      -2.631829      5.701607      0.184728
  C      -1.309081      5.942240      0.497984
  C      -0.931670      6.257665      1.823038
  C      -1.879951      6.327447      2.824323
  C      -3.247238      6.088840      2.536588
  C      -6.410633      1.941940      5.516904
  C      -6.416094      0.726117      4.561337
  C      -7.392504      0.840208      3.427421
  N      -7.285061      1.934956      2.681308
  C      -8.133542      2.094515      1.643228
  N      -9.086087      1.265753      1.252761
  C      -9.205816      0.115204      1.979834
  C     -10.166125     -0.850747      1.588342
  C     -10.286580     -2.033446      2.289214
  C      -9.477633     -2.286506      3.418971
  C      -8.538160     -1.365364      3.825876
  C      -8.369712     -0.149855      3.116365
  H      -2.657119      0.491741      2.901333
  H      -1.432623     -0.543728      3.670167
  H      -3.925595     -1.587575      4.551064
  H      -2.853250     -2.328111      3.356417
  H      -5.548878      0.944193      0.375115
  H      -8.118856     -2.838840      0.177751
  H      -8.234620     -4.953520      1.486726
  H      -6.552363     -5.403996      3.283639
  H      -4.803084     -3.737279      3.804138
  H      -5.081798      4.784429      5.703110
  H      -4.082480      5.670416      6.906810
  H      -4.945400      7.135791      5.246292
  H      -3.162535      7.077888      5.075568
  H      -6.852353      5.423756      1.565400
  H      -2.947199      5.456550     -0.830017
  H      -0.547928      5.890259     -0.282287
  H       0.117645      6.447929      2.054182
  H      -1.573974      6.568819      3.842429
  H      -7.112526      1.747462      6.346236
  H      -6.797767      2.811582      4.958346
  H      -5.407389      0.718325      4.120675
  H      -6.565220     -0.198451      5.131667
  H      -7.995057      3.023639      1.073916
  H     -10.777426     -0.633943      0.711544
  H     -10.996569     -2.796323      1.966588
  H      -9.584062     -3.228129      3.959539
  H      -7.904500     -1.583478      4.685042
  N      -4.014289      2.738478      3.170650
  N      -4.353268      2.919803      2.084425
88
Coordinates from ORCA-job orca E -6140.014494529768
  N      -2.669586      0.496542      5.038851
  Mo     -3.401375      2.387084      5.091179
  N      -5.089333      2.209218      6.072955
  C      -4.992754      2.311877      7.526167
  C      -3.715522      1.631289      8.010085
  N      -2.564776      2.116591      7.193750
  C      -1.488432      1.102275      7.088964
  C      -1.933859     -0.037387      6.178916
  C      -2.032529      3.414737      7.709387
  C      -1.871421      4.396234      6.527946
  N      -3.053873      4.262094      5.693765
  H      -1.038796     -0.591635      5.843116
  H      -2.548678     -0.760372      6.756598
  H      -0.623488      1.600458      6.625406
  H      -1.193587      0.734451      8.090303
  H      -1.745544      5.424806      6.909646
  H      -0.963256      4.143101      5.954615
  H      -2.755740      3.831622      8.424221
  H      -1.080033      3.250307      8.240207
  H      -5.858369      1.836263      8.018820
  H      -4.984420      3.374110      7.845903
  H      -3.817321      0.548923      7.855935
  H      -3.536193      1.816925      9.083859
  C      -2.439373     -0.242514      3.788923
  C      -3.391759     -1.457415      3.615940
  C      -4.445274     -1.299846      2.538659
  N      -4.469304     -0.172658      1.849430
  C      -5.424195     -0.013388      0.894705
  N      -6.328875     -0.894787      0.520203
  C      -6.343233     -2.068543      1.224585
  C      -7.333259     -3.031370      0.919000
  C      -7.418384     -4.196090      1.652470
  C      -6.498745     -4.456959      2.693862
  C      -5.508930     -3.542349      3.000762
  C      -5.410762     -2.326843      2.280352
  C      -4.080102      5.270877      5.859710
  C      -4.050607      6.506124      4.911364
  C      -4.317029      6.184305      3.471242
  N      -5.595023      5.987350      3.146344
  C      -5.881014      5.722240      1.847552
  N      -5.040951      5.671095      0.830003
  C      -3.723640      5.852523      1.138302
  C      -2.760967      5.786237      0.100601
  C      -1.422324      5.968001      0.381407
  C      -0.992713      6.217861      1.706024
  C      -1.907994      6.282159      2.737653
  C      -3.290847      6.099839      2.482797
  C      -6.418468      1.940741      5.528788
  C      -6.426009      0.716985      4.591685
  C      -7.387193      0.846385      3.449111
  N      -7.244328      1.934458      2.698947
  C      -8.079619      2.103226      1.649329
  N      -9.038386      1.288674      1.245199
  C      -9.188775      0.144018      1.975119
  C     -10.153155     -0.811095      1.565407
  C     -10.305725     -1.989022      2.266307
  C      -9.529223     -2.247892      3.418981
  C      -8.585550     -1.337436      3.843153
  C      -8.381248     -0.128760      3.129016
  H      -2.604224      0.432060      2.939975
  H      -1.393817     -0.598216      3.737570
  H      -3.911005     -1.628112      4.573875
  H      -2.822353     -2.378244      3.403495
  H      -5.411370      0.947886      0.372619
  H      -8.039224     -2.799278      0.120849
  H      -8.221613     -4.905367      1.439225
  H      -6.578796     -5.383341      3.266123
  H      -4.807882     -3.747607      3.811727
  H      -5.064307      4.798336      5.713691
  H      -4.035645      5.672011      6.890019
  H      -4.876528      7.149845      5.247749
  H      -3.104749      7.050694      5.037275
  H      -6.936092      5.524611      1.619983
  H      -3.115008      5.589150     -0.912474
  H      -0.686337      5.919472     -0.423767
  H       0.069823      6.362159      1.911218
  H      -1.564487      6.471738      3.755267
  H      -7.131411      1.772427      6.354654
  H      -6.781888      2.810308      4.954485
  H      -5.412126      0.683077      4.159176
  H      -6.590586     -0.203321      5.164182
  H      -7.921568      3.028231      1.080900
  H     -10.739924     -0.591137      0.671926
  H     -11.013214     -2.747101      1.923827
  H      -9.660354     -3.187208      3.959368
  H      -7.972832     -1.561162      4.716239
  N      -4.021716      2.635581      3.230717
  N      -4.357299      2.776377      2.143195
88
Coordinates from ORCA-job orca E -6140.019484680552
  N      -2.630126      0.561103      4.982837
  Mo     -3.414030      2.426889      5.097813
  N      -5.112725      2.216869      6.050925
  C      -5.022911      2.287231      7.508678
  C      -3.746686      1.605333      7.986820
  N      -2.591699      2.120796      7.196314
  C      -1.497941      1.125646      7.072597
  C      -1.906768      0.006938      6.121795
  C      -2.075203      3.415736      7.740330
  C      -1.889220      4.409082      6.575188
  N      -3.057335      4.304354      5.715771
  H      -0.995633     -0.523722      5.789220
  H      -2.517826     -0.745245      6.666568
  H      -0.638514      1.657768      6.636963
  H      -1.206257      0.737682      8.067109
  H      -1.761266      5.432051      6.972573
  H      -0.968711      4.161670      6.019022
  H      -2.812652      3.816952      8.449731
  H      -1.134171      3.240706      8.288695
  H      -5.888938      1.794850      7.984699
  H      -5.025914      3.341590      7.854045
  H      -3.829132      0.525170      7.804683
  H      -3.578078      1.765897      9.066672
  C      -2.413324     -0.170157      3.729142
  C      -3.334820     -1.405391      3.565850
  C      -4.405914     -1.256593      2.503751
  N      -4.447203     -0.131189      1.812711
  C      -5.421319      0.023532      0.875035
  N      -6.329912     -0.861253      0.519153
  C      -6.320945     -2.036624      1.222190
  C      -7.307408     -3.009384      0.931879
  C      -7.369743     -4.175516      1.665362
  C      -6.431974     -4.429127      2.692966
  C      -5.445646     -3.505689      2.983354
  C      -5.370228     -2.290003      2.261307
  C      -4.075550      5.319841      5.879897
  C      -4.008916      6.536813      4.919440
  C      -4.290194      6.176007      3.491446
  N      -5.571325      5.986565      3.180594
  C      -5.866623      5.683241      1.890724
  N      -5.034649      5.600614      0.869389
  C      -3.712731      5.763848      1.168184
  C      -2.752575      5.644370      0.131632
  C      -1.409390      5.789635      0.407744
  C      -0.969253      6.057792      1.726286
  C      -1.881362      6.179322      2.754971
  C      -3.269498      6.036445      2.503014
  C      -6.444511      1.964017      5.503411
  C      -6.458375      0.748528      4.557629
  C      -7.441176      0.873737      3.432925
  N      -7.331461      1.965773      2.684539
  C      -8.193652      2.118386      1.651759
  N      -9.141009      1.284967      1.260633
  C      -9.255077      0.136553      1.990758
  C     -10.206473     -0.838000      1.594743
  C     -10.325832     -2.018248      2.296704
  C      -9.527016     -2.262375      3.438415
  C      -8.594707     -1.333123      3.847856
  C      -8.424890     -0.120644      3.130062
  H      -2.607365      0.499282      2.882470
  H      -1.359387     -0.499147      3.667050
  H      -3.836338     -1.597443      4.529763
  H      -2.752211     -2.316239      3.346898
  H      -5.425539      0.988833      0.360775
  H      -8.029082     -2.782590      0.146253
  H      -8.170397     -4.891608      1.466543
  H      -6.494211     -5.356927      3.264986
  H      -4.728336     -3.706006      3.781075
  H      -5.068462      4.863819      5.738052
  H      -4.034855      5.720014      6.911203
  H      -4.816885      7.212245      5.240090
  H      -3.053035      7.064971      5.036402
  H      -6.924554      5.487464      1.678963
  H      -3.113445      5.429008     -0.875329
  H      -0.675475      5.695237     -0.395253
  H       0.097730      6.170467      1.927617
  H      -1.532885      6.380469      3.768551
  H      -7.150554      1.789603      6.333976
  H      -6.808889      2.842137      4.943618
  H      -5.452318      0.715945      4.106146
  H      -6.602919     -0.179188      5.123214
  H      -8.069838      3.047756      1.083286
  H     -10.811343     -0.629773      0.710527
  H     -11.022629     -2.790108      1.962549
  H      -9.631695     -3.204126      3.979963
  H      -7.964066     -1.544567      4.711062
  N      -4.017206      2.698655      3.263442
  N      -4.335799      2.859310      2.178224
88
Coordinates from ORCA-job orca E -6140.023078767133
  N      -2.586540      0.600155      4.949100
  Mo     -3.418405      2.437755      5.110493
  N      -5.125884      2.205163      6.036379
  C      -5.047393      2.253385      7.497335
  C      -3.771897      1.571153      7.975311
  N      -2.611955      2.107379      7.208212
  C      -1.508576      1.124374      7.077184
  C      -1.889168      0.026058      6.093415
  C      -2.109480      3.398902      7.772406
  C      -1.893703      4.395438      6.618811
  N      -3.043580      4.316406      5.732053
  H      -0.965635     -0.490845      5.771799
  H      -2.506108     -0.744072      6.605348
  H      -0.648214      1.676126      6.669243
  H      -1.227061      0.717735      8.066776
  H      -1.761884      5.414158      7.026418
  H      -0.962348      4.145869      6.081932
  H      -2.862962      3.793394      8.468343
  H      -1.182490      3.218065      8.342619
  H      -5.914593      1.749162      7.958768
  H      -5.060736      3.301915      7.859302
  H      -3.839678      0.493822      7.771307
  H      -3.615823      1.712058      9.059885
  C      -2.369227     -0.129614      3.698586
  C      -3.297189     -1.360746      3.536700
  C      -4.374207     -1.219557      2.477886
  N      -4.411964     -0.110013      1.762907
  C      -5.391920      0.029528      0.828640
  N      -6.308593     -0.856246      0.497423
  C      -6.299504     -2.017903      1.221801
  C      -7.287333     -2.995698      0.953046
  C      -7.346751     -4.148091      1.707952
  C      -6.406856     -4.382231      2.738149
  C      -5.419417     -3.453607      3.007431
  C      -5.345525     -2.252651      2.261110
  C      -4.053895      5.341475      5.891329
  C      -3.971567      6.548342      4.922211
  C      -4.268974      6.176799      3.499186
  N      -5.552934      5.983504      3.203791
  C      -5.860918      5.668796      1.919008
  N      -5.039970      5.588520      0.889004
  C      -3.714383      5.749851      1.173834
  C      -2.763993      5.619610      0.129776
  C      -1.417342      5.746010      0.396054
  C      -0.963304      6.008265      1.711247
  C      -1.866155      6.146123      2.745714
  C      -3.257739      6.023672      2.502985
  C      -6.455082      1.967962      5.472532
  C      -6.474898      0.752141      4.526883
  C      -7.473150      0.871647      3.413447
  N      -7.376772      1.962487      2.662063
  C      -8.248220      2.106174      1.635153
  N      -9.191000      1.264222      1.252943
  C      -9.294996      0.118441      1.990479
  C     -10.246424     -0.861195      1.607230
  C     -10.361658     -2.034531      2.321149
  C      -9.556044     -2.267087      3.460619
  C      -8.621360     -1.333926      3.855363
  C      -8.457017     -0.127926      3.126005
  H      -2.559100      0.540095      2.851727
  H      -1.314590     -0.459248      3.641038
  H      -3.797983     -1.551522      4.501336
  H      -2.719384     -2.275265      3.322278
  H      -5.395190      0.985754      0.298301
  H      -8.011163     -2.783877      0.165505
  H      -8.146278     -4.869152      1.525522
  H      -6.466907     -5.299640      3.326345
  H      -4.698210     -3.639876      3.804639
  H      -5.051726      4.894494      5.754120
  H      -4.014416      5.742971      6.922297
  H      -4.765477      7.242722      5.238958
  H      -3.008332      7.063753      5.029577
  H      -6.920294      5.463946      1.722225
  H      -3.134961      5.404344     -0.873294
  H      -0.690381      5.638559     -0.411262
  H       0.106595      6.103168      1.904511
  H      -1.509120      6.340860      3.757167
  H      -7.167980      1.799212      6.298075
  H      -6.806632      2.850996      4.913165
  H      -5.475339      0.713378      4.064044
  H      -6.609496     -0.176406      5.093714
  H      -8.137299      3.035802      1.062891
  H     -10.857526     -0.660909      0.725817
  H     -11.060989     -2.808259      1.998337
  H      -9.658343     -3.202741      4.012382
  H      -7.986479     -1.536657      4.717418
  N      -4.009530      2.715596      3.284291
  N      -4.311486      2.881307      2.193417
88
Coordinates from ORCA-job orca E -6140.026187812786
  N      -2.538652      0.637316      4.925242
  Mo     -3.422188      2.439184      5.125059
  N      -5.136588      2.182039      6.025644
  C      -5.072110      2.208008      7.488842
  C      -3.793826      1.532080      7.967490
  N      -2.631992      2.092287      7.223246
  C      -1.516321      1.124597      7.088755
  C      -1.866311      0.044551      6.074635
  C      -2.149451      3.382938      7.804335
  C      -1.902374      4.379506      6.659996
  N      -3.030711      4.318000      5.744216
  H      -0.929769     -0.457470      5.765817
  H      -2.487718     -0.742943      6.553181
  H      -0.655866      1.694668      6.707766
  H      -1.244624      0.700155      8.073367
  H      -1.770218      5.395412      7.074825
  H      -0.959761      4.126921      6.144526
  H      -2.922651      3.772528      8.480999
  H      -1.238254      3.202845      8.399977
  H      -5.938158      1.688335      7.935359
  H      -5.100794      3.250596      7.865695
  H      -3.844625      0.458016      7.742728
  H      -3.651861      1.654607      9.056289
  C      -2.323650     -0.092365      3.677677
  C      -3.248806     -1.325638      3.522094
  C      -4.329423     -1.187160      2.469059
  N      -4.356352     -0.087602      1.738576
  C      -5.340427      0.049492      0.809475
  N      -6.269902     -0.829094      0.497093
  C      -6.268896     -1.982811      1.233854
  C      -7.264445     -2.955943      0.979010
  C      -7.327813     -4.100430      1.745177
  C      -6.387362     -4.329389      2.775609
  C      -5.393235     -3.404395      3.032501
  C      -5.312625     -2.212918      2.271637
  C      -4.038391      5.348004      5.894438
  C      -3.942061      6.545219      4.916965
  C      -4.253002      6.164009      3.498423
  N      -5.540254      5.973552      3.216238
  C      -5.862062      5.659788      1.934897
  N      -5.052490      5.584797      0.896225
  C      -3.723029      5.738721      1.167693
  C      -2.784823      5.605196      0.113965
  C      -1.434410      5.711460      0.369276
  C      -0.965393      5.958681      1.681726
  C      -1.856853      6.105125      2.724658
  C      -3.251880      6.003690      2.493314
  C      -6.462652      1.962189      5.446914
  C      -6.489555      0.749757      4.497911
  C      -7.501450      0.868610      3.395156
  N      -7.417108      1.960141      2.643948
  C      -8.295900      2.098862      1.622855
  N      -9.235368      1.251150      1.247687
  C      -9.332558      0.107449      1.990276
  C     -10.287256     -0.873059      1.619471
  C     -10.401287     -2.040089      2.344365
  C      -9.588021     -2.265219      3.479242
  C      -8.647759     -1.332177      3.859600
  C      -8.486403     -0.132282      3.120926
  H      -2.517762      0.576358      2.830434
  H      -1.267762     -0.416840      3.618088
  H      -3.745463     -1.518494      4.488099
  H      -2.671788     -2.240484      3.306567
  H      -5.337681      0.999733      0.268258
  H      -7.989164     -2.748009      0.191572
  H      -8.129934     -4.820451      1.572210
  H      -6.451440     -5.240639      3.372368
  H      -4.670306     -3.587618      3.828354
  H      -5.039040      4.906359      5.757002
  H      -4.003896      5.752647      6.924063
  H      -4.722243      7.256972      5.229332
  H      -2.971465      7.047785      5.015163
  H      -6.923259      5.454650      1.750053
  H      -3.167306      5.398485     -0.886318
  H      -0.715861      5.597720     -0.444313
  H       0.107334      6.035011      1.865727
  H      -1.489343      6.287111      3.734385
  H      -7.184927      1.797370      6.265144
  H      -6.798646      2.851353      4.888740
  H      -5.495800      0.706371      4.024999
  H      -6.618252     -0.180200      5.064495
  H      -8.195031      3.028499      1.049146
  H     -10.905060     -0.677083      0.742167
  H     -11.107393     -2.812082      2.034111
  H      -9.690395     -3.194975      4.040398
  H      -8.008250     -1.529612      4.719372
  N      -4.003910      2.713552      3.294308
  N      -4.286639      2.876523      2.196776
88
Coordinates from ORCA-job orca E -6140.028864500999
  N      -2.507332      0.674855      4.903885
  Mo     -3.429830      2.443568      5.143477
  N      -5.147446      2.169155      6.026658
  C      -5.095847      2.173864      7.491235
  C      -3.816198      1.498174      7.966861
  N      -2.651785      2.074397      7.239873
  C      -1.531053      1.114231      7.099165
  C      -1.861071      0.056967      6.055576
  C      -2.179353      3.360153      7.837060
  C      -1.897671      4.356731      6.702883
  N      -3.007376      4.315537      5.762838
  H      -0.916724     -0.437116      5.756563
  H      -2.491444     -0.742453      6.501029
  H      -0.667026      1.694806      6.743247
  H      -1.269880      0.667982      8.076914
  H      -1.759261      5.368816      7.125271
  H      -0.948121      4.095250      6.204788
  H      -2.968480      3.750763      8.494489
  H      -1.284280      3.175731      8.455943
  H      -5.961410      1.642224      7.924695
  H      -5.134748      3.210856      7.882269
  H      -3.859554      0.428046      7.722457
  H      -3.683892      1.601750      9.059000
  C      -2.293934     -0.056998      3.657567
  C      -3.220948     -1.290355      3.503489
  C      -4.297042     -1.166114      2.444624
  N      -4.308289     -0.087538      1.682578
  C      -5.287983      0.033113      0.747106
  N      -6.225348     -0.844017      0.455783
  C      -6.237957     -1.978586      1.221167
  C      -7.238677     -2.950471      0.984825
  C      -7.313723     -4.074947      1.778895
  C      -6.381430     -4.283480      2.820882
  C      -5.382712     -3.358817      3.061236
  C      -5.288728     -2.187808      2.270307
  C      -4.009851      5.353631      5.907676
  C      -3.907659      6.543248      4.922124
  C      -4.239972      6.160318      3.508137
  N      -5.531763      5.969185      3.246974
  C      -5.875274      5.657950      1.970966
  N      -5.083142      5.589857      0.918489
  C      -3.748864      5.741788      1.167894
  C      -2.829830      5.610204      0.097905
  C      -1.474417      5.704227      0.332501
  C      -0.982985      5.938156      1.638824
  C      -1.856155      6.086817      2.696916
  C      -3.255460      5.999013      2.487329
  C      -6.467840      1.968694      5.429929
  C      -6.496744      0.750866      4.489532
  C      -7.507943      0.863537      3.385101
  N      -7.411430      1.943653      2.619100
  C      -8.278872      2.071868      1.587421
  N      -9.218185      1.222297      1.216203
  C      -9.333237      0.093027      1.978853
  C     -10.293532     -0.884989      1.617672
  C     -10.429144     -2.034491      2.367656
  C      -9.631229     -2.242686      3.515899
  C      -8.683166     -1.313229      3.885244
  C      -8.499926     -0.132094      3.122593
  H      -2.481980      0.611516      2.808797
  H      -1.238711     -0.383893      3.600962
  H      -3.720807     -1.478420      4.468476
  H      -2.643186     -2.206823      3.295102
  H      -5.275271      0.968215      0.179990
  H      -7.957650     -2.757780      0.188199
  H      -8.118538     -4.795204      1.619610
  H      -6.455588     -5.179174      3.439701
  H      -4.665849     -3.527001      3.865904
  H      -5.014255      4.918394      5.773848
  H      -3.972614      5.762697      6.935138
  H      -4.672765      7.269860      5.237373
  H      -2.928192      7.031340      5.005520
  H      -6.938886      5.449755      1.803632
  H      -3.229730      5.411217     -0.897116
  H      -0.769574      5.589387     -0.492877
  H       0.093354      6.002153      1.805997
  H      -1.471561      6.257728      3.702293
  H      -7.207427      1.818131      6.235566
  H      -6.779312      2.859983      4.861393
  H      -5.503339      0.695933      4.017500
  H      -6.630014     -0.173433      5.064767
  H      -8.167026      2.991608      1.000008
  H     -10.900257     -0.700689      0.730176
  H     -11.142279     -2.803804      2.067380
  H      -9.751695     -3.157698      4.097582
  H      -8.055378     -1.499437      4.756173
  N      -4.009825      2.725033      3.305581
  N      -4.276874      2.890803      2.204365
88
Coordinates from ORCA-job orca E -6140.031151427239
  N      -2.457949      0.707376      4.890507
  Mo     -3.432059      2.434819      5.153427
  N      -5.155070      2.131084      6.014239
  C      -5.122432      2.113059      7.479963
  C      -3.836909      1.452072      7.959010
  N      -2.673968      2.055651      7.252834
  C      -1.537051      1.113800      7.114844
  C      -1.833314      0.072328      6.046082
  C      -2.229347      3.342572      7.865709
  C      -1.913642      4.338729      6.741265
  N      -2.995982      4.303638      5.768409
  H      -0.877334     -0.407570      5.760426
  H      -2.466676     -0.741236      6.460360
  H      -0.674440      1.711775      6.785388
  H      -1.286120      0.651708      8.087879
  H      -1.781681      5.349674      7.168449
  H      -0.952095      4.073967      6.268693
  H      -3.043102      3.729232      8.494889
  H      -1.354574      3.164246      8.515278
  H      -5.983497      1.560444      7.896130
  H      -5.184052      3.143429      7.885582
  H      -3.861754      0.385380      7.696812
  H      -3.718932      1.539599      9.054319
  C      -2.249350     -0.025905      3.644628
  C      -3.171651     -1.261712      3.494915
  C      -4.254182     -1.135068      2.444310
  N      -4.256357     -0.064186      1.669824
  C      -5.243354      0.059959      0.742887
  N      -6.196604     -0.806491      0.471314
  C      -6.216399     -1.934319      1.246804
  C      -7.229003     -2.897382      1.026141
  C      -7.306967     -4.016362      1.827983
  C      -6.368884     -4.225484      2.864621
  C      -5.360209     -3.308431      3.091305
  C      -5.260131     -2.145083      2.289743
  C      -4.002740      5.342222      5.895283
  C      -3.887077      6.525870      4.904439
  C      -4.218530      6.144979      3.489661
  N      -5.509926      5.950889      3.229232
  C      -5.854923      5.650382      1.951516
  N      -5.065090      5.597768      0.896289
  C      -3.730751      5.751093      1.144460
  C      -2.814363      5.633172      0.070970
  C      -1.458103      5.722103      0.304766
  C      -0.964682      5.938196      1.613180
  C      -1.835628      6.076771      2.674557
  C      -3.235448      5.994501      2.466357
  C      -6.470991      1.945977      5.402232
  C      -6.506428      0.734199      4.453499
  C      -7.537484      0.848498      3.367134
  N      -7.463393      1.935531      2.608242
  C      -8.349991      2.064285      1.592841
  N      -9.289829      1.210467      1.232733
  C      -9.387675      0.078370      1.992540
  C     -10.356196     -0.897482      1.649174
  C     -10.481414     -2.046031      2.402945
  C      -9.661058     -2.256516      3.534502
  C      -8.702433     -1.330075      3.884885
  C      -8.531801     -0.148450      3.119880
  H      -2.443312      0.642598      2.797381
  H      -1.193270     -0.348713      3.582277
  H      -3.663080     -1.455032      4.462956
  H      -2.592557     -2.175819      3.278044
  H      -5.225511      0.989002      0.165574
  H      -7.952149     -2.704331      0.233220
  H      -8.116674     -4.733183      1.678212
  H      -6.446228     -5.116609      3.489849
  H      -4.638469     -3.478179      3.891463
  H      -5.006698      4.907898      5.752294
  H      -3.976987      5.756720      6.920599
  H      -4.644687      7.262634      5.214119
  H      -2.901981      7.003042      4.987870
  H      -6.917366      5.438791      1.784055
  H      -3.216038      5.446338     -0.925755
  H      -0.754553      5.616106     -0.523036
  H       0.112275      5.996188      1.779520
  H      -1.449168      6.233650      3.681691
  H      -7.221880      1.797514      6.198049
  H      -6.767034      2.843793      4.835924
  H      -5.520204      0.684786      3.964782
  H      -6.628272     -0.193334      5.026349
  H      -8.256043      2.988194      1.009940
  H     -10.981187     -0.710287      0.774934
  H     -11.206766     -2.810526      2.119367
  H      -9.774595     -3.169907      4.120526
  H      -8.059569     -1.517676      4.744512
  N      -3.996587      2.707774      3.301135
  N      -4.238786      2.866042      2.194485
88
Coordinates from ORCA-job orca E -6140.033151750286
  N      -2.424956      0.747271      4.872032
  Mo     -3.441873      2.437389      5.166479
  N      -5.165233      2.108109      6.016983
  C      -5.143891      2.064513      7.482914
  C      -3.852106      1.412789      7.956743
  N      -2.693321      2.039252      7.263107
  C      -1.545144      1.111525      7.119741
  C      -1.818368      0.089916      6.026388
  C      -2.267003      3.323709      7.892089
  C      -1.919249      4.321155      6.778405
  N      -2.980589      4.297683      5.781039
  H      -0.855567     -0.380300      5.747455
  H      -2.455799     -0.734288      6.412161
  H      -0.684159      1.723906      6.813671
  H      -1.301471      0.631054      8.085518
  H      -1.787577      5.329505      7.211402
  H      -0.950766      4.049344      6.324536
  H      -3.100019      3.709095      8.496259
  H      -1.411728      3.145200      8.567547
  H      -5.999298      1.492474      7.884382
  H      -5.223564      3.086678      7.906043
  H      -3.864870      0.350136      7.676958
  H      -3.739117      1.482940      9.053846
  C      -2.224607      0.013424      3.624287
  C      -3.140965     -1.226569      3.478918
  C      -4.221479     -1.110297      2.425341
  N      -4.206509     -0.059976      1.622825
  C      -5.190241      0.053485      0.691027
  N      -6.154979     -0.806677      0.439418
  C      -6.188686     -1.916236      1.240318
  C      -7.208545     -2.875503      1.036075
  C      -7.297605     -3.977446      1.860164
  C      -6.365423     -4.171440      2.905176
  C      -5.351223     -3.257222      3.117480
  C      -5.237986     -2.112328      2.291381
  C      -3.988379      5.338203      5.898459
  C      -3.861262      6.515409      4.902980
  C      -4.206073      6.133397      3.491931
  N      -5.500276      5.941267      3.244338
  C      -5.859099      5.645316      1.969596
  N      -5.080382      5.595226      0.905668
  C      -3.743371      5.745897      1.140593
  C      -2.838425      5.630430      0.057077
  C      -1.479418      5.713170      0.277576
  C      -0.972114      5.920855      1.582012
  C      -1.831574      6.059152      2.652700
  C      -3.233859      5.984023      2.458384
  C      -6.476576      1.941477      5.391301
  C      -6.513141      0.727318      4.446457
  C      -7.544887      0.839949      3.361453
  N      -7.459624      1.916857      2.588694
  C      -8.339093      2.035652      1.565585
  N      -9.281284      1.181771      1.210984
  C      -9.394375      0.063936      1.988885
  C     -10.370980     -0.907852      1.657135
  C     -10.515581     -2.039431      2.432932
  C      -9.705212     -2.237375      3.573867
  C      -8.736727     -1.316197      3.911786
  C      -8.547532     -0.151432      3.125462
  H      -2.422041      0.681592      2.777653
  H      -1.167931     -0.306542      3.558468
  H      -3.630346     -1.420039      4.447849
  H      -2.556908     -2.138117      3.263951
  H      -5.160953      0.967525      0.090662
  H      -7.926922     -2.694034      0.236010
  H      -8.110467     -4.692799      1.720791
  H      -6.452013     -5.048838      3.548458
  H      -4.634198     -3.416104      3.924083
  H      -4.993769      4.907896      5.751715
  H      -3.966258      5.756723      6.921908
  H      -4.605430      7.265695      5.213197
  H      -2.867934      6.976694      4.978247
  H      -6.923485      5.436681      1.812022
  H      -3.250743      5.449537     -0.936412
  H      -0.784708      5.608331     -0.557844
  H       0.106785      5.972127      1.738013
  H      -1.434121      6.209321      3.656616
  H      -7.242337      1.806336      6.175474
  H      -6.750532      2.841032      4.817075
  H      -5.527949      0.675247      3.955803
  H      -6.635303     -0.197729      5.023352
  H      -8.235623      2.949364      0.968964
  H     -10.988702     -0.729841      0.775780
  H     -11.250886     -2.798692      2.160969
  H      -9.834744     -3.136681      4.178199
  H      -8.101743     -1.494789      4.779210
  N      -4.003433      2.718379      3.310365
  N      -4.232550      2.881942      2.202079
88
Coordinates from ORCA-job orca E -6140.034890246217
  N      -2.384063      0.776069      4.858256
  Mo     -3.447900      2.429385      5.171056
  N      -5.172265      2.070846      6.011697
  C      -5.163662      2.003003      7.477128
  C      -3.863581      1.367145      7.949613
  N      -2.711412      2.019302      7.267707
  C      -1.547112      1.110749      7.125198
  C      -1.792900      0.103729      6.012907
  C      -2.310883      3.304019      7.910938
  C      -1.933375      4.302052      6.807934
  N      -2.970401      4.283197      5.784239
  H      -0.822660     -0.355549      5.741888
  H      -2.431429     -0.729816      6.375513
  H      -0.690809      1.739910      6.841638
  H      -1.310522      0.617334      8.085987
  H      -1.808676      5.309371      7.244738
  H      -0.956405      4.026381      6.375398
  H      -3.166230      3.686354      8.484985
  H      -1.478128      3.129815      8.615409
  H      -6.011289      1.408363      7.862096
  H      -5.267229      3.016112      7.916822
  H      -3.859598      0.307858      7.656468
  H      -3.755455      1.424338      9.047857
  C      -2.190901      0.040120      3.609779
  C      -3.105676     -1.201135      3.467503
  C      -4.186413     -1.091110      2.412945
  N      -4.155293     -0.061491      1.584271
  C      -5.140980      0.046018      0.653609
  N      -6.121936     -0.803131      0.426211
  C      -6.168455     -1.894424      1.250954
  C      -7.200174     -2.845896      1.068183
  C      -7.298779     -3.931212      1.913092
  C      -6.366771     -4.114352      2.960366
  C      -5.342990     -3.206832      3.153206
  C      -5.217813     -2.080549      2.303567
  C      -3.983688      5.321930      5.889011
  C      -3.843052      6.499176      4.895642
  C      -4.190361      6.126809      3.482904
  N      -5.484482      5.930661      3.238006
  C      -5.846273      5.645334      1.961891
  N      -5.070956      5.608352      0.894524
  C      -3.734059      5.763667      1.126517
  C      -2.831791      5.663211      0.038956
  C      -1.472473      5.749011      0.255886
  C      -0.961726      5.944681      1.560968
  C      -1.818327      6.069299      2.635528
  C      -3.221027      5.991769      2.444746
  C      -6.479312      1.922681      5.372485
  C      -6.520663      0.708418      4.427456
  C      -7.559892      0.821748      3.350263
  N      -7.472142      1.893633      2.570077
  C      -8.354789      2.008586      1.548913
  N      -9.302413      1.156742      1.203441
  C      -9.421683      0.047988      1.992791
  C     -10.409798     -0.917532      1.676429
  C     -10.565325     -2.036758      2.467520
  C      -9.752684     -2.229895      3.607958
  C      -8.771474     -1.316077      3.929784
  C      -8.572395     -0.163312      3.128238
  H      -2.389637      0.708183      2.763647
  H      -1.134006     -0.279030      3.541744
  H      -3.592693     -1.394740      4.437409
  H      -2.518914     -2.110865      3.252152
  H      -5.099991      0.944665      0.031253
  H      -7.917801     -2.672957      0.265493
  H      -8.117516     -4.642225      1.787297
  H      -6.461253     -4.978068      3.620842
  H      -4.626226     -3.358032      3.961503
  H      -4.987681      4.892220      5.731100
  H      -3.972747      5.740684      6.912374
  H      -4.578250      7.257939      5.206970
  H      -2.843806      6.946825      4.973090
  H      -6.910324      5.434417      1.805567
  H      -3.246513      5.491053     -0.955106
  H      -0.780220      5.655673     -0.582933
  H       0.117460      5.997115      1.714609
  H      -1.417810      6.210045      3.639604
  H      -7.258121      1.800823      6.146033
  H      -6.731960      2.824823      4.792897
  H      -5.539586      0.659910      3.928864
  H      -6.636835     -0.216765      5.005254
  H      -8.248845      2.916468      0.944013
  H     -11.029711     -0.742884      0.795895
  H     -11.313607     -2.788382      2.209948
  H      -9.891654     -3.118689      4.225602
  H      -8.135832     -1.490522      4.797601
  N      -4.001728      2.714313      3.312371
  N      -4.219645      2.881416      2.202429
88
Coordinates from ORCA-job orca E -6140.036407727094
  N      -2.343422      0.806201      4.846476
  Mo     -3.456269      2.422328      5.174069
  N      -5.180106      2.032852      6.009315
  C      -5.180865      1.938644      7.473066
  C      -3.870292      1.322239      7.942607
  N      -2.728354      2.002255      7.270232
  C      -1.545111      1.116887      7.128745
  C      -1.762671      0.122516      5.999976
  C      -2.356357      3.288471      7.926227
  C      -1.950939      4.286526      6.833717
  N      -2.963951      4.269767      5.785432
  H      -0.784856     -0.323862      5.734896
  H      -2.398432     -0.721124      6.343143
  H      -0.696864      1.765127      6.865919
  H      -1.312755      0.613075      8.084954
  H      -1.834984      5.293591      7.272826
  H      -0.965886      4.008200      6.422035
  H      -3.234160      3.667281      8.467889
  H      -1.548045      3.120117      8.660318
  H      -6.017864      1.318497      7.840936
  H      -5.311536      2.940763      7.930484
  H      -3.846573      0.266469      7.637639
  H      -3.764190      1.368221      9.041424
  C      -2.161106      0.069226      3.596581
  C      -3.069994     -1.176322      3.458014
  C      -4.151757     -1.071058      2.404089
  N      -4.105980     -0.058898      1.554551
  C      -5.094017      0.046150      0.626021
  N      -6.090560     -0.790484      0.419719
  C      -6.148072     -1.867479      1.262249
  C      -7.190969     -2.810443      1.096534
  C      -7.296547     -3.884331      1.954952
  C      -6.362733     -4.062653      3.001610
  C      -5.330289     -3.162155      3.179551
  C      -5.196109     -2.049009      2.313994
  C      -3.984097      5.304996      5.876677
  C      -3.826063      6.483007      4.887597
  C      -4.175664      6.117721      3.473715
  N      -5.470321      5.923124      3.230785
  C      -5.835330      5.647138      1.953740
  N      -5.062680      5.615982      0.884123
  C      -3.725449      5.770155      1.113946
  C      -2.825407      5.677765      0.023508
  C      -1.465818      5.763362      0.237301
  C      -0.951621      5.950522      1.542431
  C      -1.805660      6.067613      2.619744
  C      -3.208889      5.990783      2.431942
  C      -6.484497      1.904732      5.360830
  C      -6.531931      0.691983      4.414183
  C      -7.577443      0.807653      3.343968
  N      -7.485199      1.874037      2.556383
  C      -8.369293      1.985583      1.535888
  N      -9.321574      1.135983      1.197603
  C      -9.447984      0.036043      1.997933
  C     -10.444988     -0.924521      1.693770
  C     -10.610710     -2.032216      2.498497
  C      -9.798346     -2.219864      3.640391
  C      -8.807622     -1.311853      3.949445
  C      -8.599017     -0.170765      3.133944
  H      -2.366906      0.737168      2.752071
  H      -1.103122     -0.244927      3.522355
  H      -3.552651     -1.374807      4.428733
  H      -2.477724     -2.081676      3.238944
  H      -5.042000      0.931591     -0.014147
  H      -7.909165     -2.641716      0.293410
  H      -8.120601     -4.590752      1.839084
  H      -6.462926     -4.916819      3.673506
  H      -4.612469     -3.310213      3.987394
  H      -4.985662      4.875452      5.703725
  H      -3.988593      5.721874      6.900716
  H      -4.550751      7.251869      5.199181
  H      -2.820621      6.915237      4.969097
  H      -6.900186      5.440034      1.798464
  H      -3.242586      5.512405     -0.970695
  H      -0.775901      5.676592     -0.604110
  H       0.127833      6.001960      1.694138
  H      -1.402021      6.201578      3.623441
  H      -7.273642      1.796348      6.126053
  H      -6.716594      2.809633      4.777393
  H      -5.554787      0.649444      3.907910
  H      -6.641182     -0.234722      4.990763
  H      -8.259802      2.887569      0.923070
  H     -11.065108     -0.753860      0.812590
  H     -11.369294     -2.777364      2.252655
  H      -9.946131     -3.098880      4.269810
  H      -8.172760     -1.481345      4.818840
  N      -4.005435      2.713793      3.316899
  N      -4.219395      2.887497      2.206794
88
Coordinates from ORCA-job orca E -6140.037687990620
  N      -2.303489      0.828744      4.835469
  Mo     -3.462081      2.411812      5.170686
  N      -5.185764      1.992273      5.999978
  C      -5.196126      1.870101      7.460931
  C      -3.875296      1.274410      7.929152
  N      -2.743870      1.982241      7.267901
  C      -1.541470      1.121241      7.130449
  C      -1.730805      0.137804      5.987954
  C      -2.402591      3.269819      7.936230
  C      -1.970069      4.268591      6.856120
  N      -2.958320      4.252749      5.784125
  H      -0.745536     -0.295518      5.728890
  H      -2.362110     -0.715619      6.314492
  H      -0.702093      1.787857      6.887295
  H      -1.313132      0.609060      8.082971
  H      -1.864907      5.275453      7.297772
  H      -0.976842      3.989739      6.465424
  H      -3.302712      3.644289      8.443357
  H      -1.620938      3.107714      8.700284
  H      -6.021230      1.222957      7.808980
  H      -5.356156      2.859291      7.936934
  H      -3.830131      0.222590      7.613090
  H      -3.772407      1.310269      9.028534
  C      -2.129634      0.090086      3.585118
  C      -3.035399     -1.158582      3.450654
  C      -4.118294     -1.062345      2.397023
  N      -4.061300     -0.070590      1.524303
  C      -5.052724      0.027051      0.598404
  N      -6.063066     -0.798694      0.416635
  C      -6.129511     -1.857732      1.280747
  C      -7.184639     -2.791310      1.138973
  C      -7.296149     -3.849071      2.016325
  C      -6.357770     -4.018933      3.060415
  C      -5.315334     -3.126104      3.216722
  C      -5.173944     -2.030200      2.330392
  C      -3.985503      5.284261      5.862102
  C      -3.810068      6.468374      4.882955
  C      -4.158833      6.118849      3.464781
  N      -5.453194      5.924189      3.220737
  C      -5.818641      5.661004      1.941274
  N      -5.046457      5.640346      0.871057
  C      -3.709597      5.795695      1.101495
  C      -2.809927      5.716429      0.009587
  C      -1.450614      5.805172      0.222783
  C      -0.935735      5.981891      1.529198
  C      -1.789322      6.085629      2.608206
  C      -3.192469      6.005842      2.420886
  C      -6.487338      1.885092      5.342239
  C      -6.542871      0.674829      4.392586
  C      -7.597415      0.793738      3.331830
  N      -7.502141      1.855255      2.537861
  C      -8.391668      1.967336      1.522209
  N      -9.351104      1.121965      1.193481
  C      -9.482396      0.029050      2.002796
  C     -10.488967     -0.925611      1.711431
  C     -10.661422     -2.024108      2.527120
  C      -9.846219     -2.208542      3.667783
  C      -8.845760     -1.306864      3.963750
  C      -8.629880     -0.176067      3.136114
  H      -2.339696      0.757641      2.741392
  H      -1.071108     -0.221371      3.506051
  H      -3.515048     -1.359774      4.421917
  H      -2.437863     -2.060180      3.230077
  H      -4.990733      0.895648     -0.063562
  H      -7.905654     -2.629378      0.336953
  H      -8.127156     -4.549672      1.916574
  H      -6.462722     -4.860000      3.747865
  H      -4.594737     -3.267706      4.023215
  H      -4.983065      4.853866      5.669412
  H      -4.009457      5.694914      6.888312
  H      -4.525436      7.244679      5.197598
  H      -2.799196      6.885576      4.972749
  H      -6.883580      5.455523      1.784644
  H      -3.227554      5.559377     -0.985777
  H      -0.761354      5.729222     -0.620183
  H       0.143572      6.035532      1.680791
  H      -1.384570      6.211413      3.612481
  H      -7.285629      1.790486      6.099918
  H      -6.698899      2.793070      4.756056
  H      -5.570506      0.639764      3.876761
  H      -6.643622     -0.254361      4.966608
  H      -8.279984      2.864905      0.903379
  H     -11.111847     -0.757025      0.831810
  H     -11.429569     -2.763013      2.292554
  H     -10.000332     -3.079543      4.306723
  H      -8.208869     -1.473171      4.832331
  N      -4.007320      2.713090      3.315864
  N      -4.223091      2.894794      2.207111
88
Coordinates from ORCA-job orca E -6140.038737093501
  N      -2.262424      0.857426      4.822133
  Mo     -3.468500      2.403707      5.166797
  N      -5.190819      1.950352      5.988161
  C      -5.209075      1.793553      7.445021
  C      -3.876517      1.222665      7.910519
  N      -2.758722      1.963792      7.263865
  C      -1.534518      1.132720      7.129227
  C      -1.691745      0.161197      5.971779
  C      -2.454520      3.253067      7.945569
  C      -1.996979      4.255606      6.880341
  N      -2.959186      4.239660      5.784348
  H      -0.696914     -0.253163      5.717834
  H      -2.312494     -0.706607      6.280558
  H      -0.707441      1.820794      6.905652
  H      -1.306714      0.612437      8.077337
  H      -1.905756      5.262007      7.325740
  H      -0.994486      3.980525      6.511665
  H      -3.377897      3.618374      8.416537
  H      -1.701416      3.098519      8.739598
  H      -6.018159      1.114291      7.769254
  H      -5.403334      2.765305      7.943956
  H      -3.804632      0.176640      7.580403
  H      -3.778189      1.245889      9.010654
  C      -2.098540      0.118706      3.570825
  C      -2.996022     -1.136381      3.442608
  C      -4.082530     -1.047471      2.392575
  N      -4.017067     -0.071904      1.502026
  C      -5.011848      0.020982      0.579103
  N      -6.035289     -0.792717      0.419474
  C      -6.109840     -1.836634      1.301155
  C      -7.177702     -2.758755      1.180847
  C      -7.294170     -3.803795      2.072549
  C      -6.349710     -3.970550      3.111708
  C      -5.296351     -3.087401      3.248736
  C      -5.148721     -2.005302      2.346399
  C      -3.994480      5.265796      5.846002
  C      -3.797808      6.455066      4.877783
  C      -4.143892      6.116862      3.455867
  N      -5.438312      5.927664      3.208681
  C      -5.802919      5.673967      1.927040
  N      -5.029032      5.655642      0.858231
  C      -3.692143      5.805881      1.091471
  C      -2.791223      5.730224      0.000333
  C      -1.432133      5.816557      0.215440
  C      -0.918504      5.986905      1.523212
  C      -1.773233      6.086466      2.601722
  C      -3.176275      6.009047      2.412496
  C      -6.490479      1.864233      5.324194
  C      -6.553480      0.658878      4.369269
  C      -7.617933      0.781577      3.319266
  N      -7.520720      1.837645      2.518346
  C      -8.417668      1.950406      1.509353
  N      -9.384559      1.109037      1.192079
  C      -9.518964      0.023085      2.010513
  C     -10.534646     -0.926104      1.733302
  C     -10.711489     -2.015555      2.560258
  C      -9.891514     -2.196183      3.698212
  C      -8.881877     -1.300232      3.979795
  C      -8.661179     -0.179523      3.140000
  H      -2.319847      0.785119      2.729040
  H      -1.038504     -0.185232      3.482090
  H      -3.469019     -1.343999      4.415433
  H      -2.391609     -2.032439      3.217398
  H      -4.940907      0.875107     -0.100716
  H      -7.902923     -2.599370      0.382030
  H      -8.132824     -4.497164      1.987587
  H      -6.458701     -4.801398      3.810860
  H      -4.571562     -3.227058      4.051769
  H      -4.986363      4.833887      5.628534
  H      -4.044176      5.668708      6.874304
  H      -4.503078      7.240497      5.192667
  H      -2.781594      6.856639      4.977048
  H      -6.868718      5.475200      1.767858
  H      -3.208066      5.578691     -0.996235
  H      -0.741994      5.743931     -0.627117
  H       0.160661      6.038646      1.676392
  H      -1.368961      6.207151      3.606821
  H      -7.295331      1.779693      6.076296
  H      -6.684503      2.776315      4.738610
  H      -5.586286      0.632156      3.843308
  H      -6.644680     -0.274237      4.938528
  H      -8.305149      2.843578      0.884493
  H     -11.161894     -0.759963      0.856311
  H     -11.488640     -2.748813      2.337956
  H     -10.050047     -3.059442      4.346544
  H      -8.241124     -1.462975      4.846298
  N      -4.013600      2.715675      3.315634
  N      -4.236277      2.905734      2.209057
88
Coordinates from ORCA-job orca E -6140.039583511490
  N      -2.229666      0.882288      4.804362
  Mo     -3.475646      2.396489      5.157236
  N      -5.195406      1.911674      5.970845
  C      -5.219511      1.717006      7.422474
  C      -3.875468      1.170540      7.883868
  N      -2.771980      1.945024      7.253301
  C      -1.527863      1.143793      7.120712
  C      -1.655374      0.183945      5.950225
  C      -2.505256      3.234563      7.948505
  C      -2.029264      4.245134      6.900524
  N      -2.966681      4.228428      5.783052
  H      -0.651264     -0.209643      5.699558
  H      -2.262325     -0.698994      6.243315
  H      -0.713366      1.851593      6.914240
  H      -1.298299      0.615992      8.064097
  H      -1.954293      5.250085      7.351809
  H      -1.017728      3.978424      6.551547
  H      -3.449568      3.586926      8.386874
  H      -1.778285      3.086765      8.767937
  H      -6.010724      1.005274      7.720972
  H      -5.447583      2.668100      7.946542
  H      -3.777324      0.131801      7.537916
  H      -3.782022      1.179330      8.984655
  C      -2.072384      0.143205      3.552401
  C      -2.963308     -1.117833      3.431687
  C      -4.054246     -1.042532      2.385364
  N      -3.986544     -0.085574      1.474874
  C      -4.986092     -0.004936      0.555723
  N      -6.017987     -0.812003      0.420579
  C      -6.095222     -1.837434      1.323332
  C      -7.172500     -2.751605      1.229679
  C      -7.289542     -3.779675      2.140866
  C      -6.337013     -3.935839      3.174181
  C      -5.275438     -3.059042      3.286491
  C      -5.126809     -1.994236      2.363852
  C      -4.008623      5.249930      5.828393
  C      -3.789665      6.447731      4.875116
  C      -4.125616      6.127923      3.446128
  N      -5.418685      5.945669      3.187675
  C      -5.774812      5.704655      1.901163
  N      -4.992654      5.689995      0.838499
  C      -3.657074      5.834122      1.082746
  C      -2.748581      5.763100     -0.002270
  C      -1.390885      5.845902      0.223173
  C      -0.886556      6.007563      1.535561
  C      -1.748813      6.101345      2.608633
  C      -3.150578      6.027234      2.409023
  C      -6.493813      1.845062      5.302543
  C      -6.564398      0.645882      4.340497
  C      -7.643264      0.771643      3.305923
  N      -7.550040      1.824332      2.500019
  C      -8.460333      1.939872      1.503453
  N      -9.435118      1.102091      1.200853
  C      -9.565692      0.020039      2.025200
  C     -10.588724     -0.925407      1.763236
  C     -10.762068     -2.009908      2.597635
  C      -9.931424     -2.188618      3.728137
  C      -8.914286     -1.296425      3.994337
  C      -8.696188     -0.181941      3.145810
  H      -2.302685      0.807947      2.711722
  H      -1.011411     -0.155062      3.455074
  H      -3.430057     -1.327980      4.406709
  H      -2.352356     -2.009156      3.204952
  H      -4.910918      0.832266     -0.144399
  H      -7.903703     -2.600224      0.434749
  H      -8.134223     -4.467798      2.075929
  H      -6.446405     -4.753253      3.888908
  H      -4.544960     -3.190830      4.085659
  H      -4.993192      4.816674      5.581904
  H      -4.087036      5.642551      6.858851
  H      -4.487035      7.239875      5.190523
  H      -2.769154      6.834138      4.988675
  H      -6.840399      5.513002      1.732522
  H      -3.158627      5.618839     -1.002699
  H      -0.694744      5.777447     -0.614759
  H       0.191529      6.056857      1.696759
  H      -1.351264      6.215087      3.617195
  H      -7.303288      1.767576      6.050563
  H      -6.673582      2.761811      4.719923
  H      -5.604461      0.630028      3.801501
  H      -6.642501     -0.292175      4.903578
  H      -8.352141      2.831123      0.875265
  H     -11.224833     -0.760262      0.892500
  H     -11.545957     -2.739547      2.387652
  H     -10.088180     -3.047422      4.382804
  H      -8.264816     -1.457398      4.854717
  N      -4.024248      2.720049      3.308943
  N      -4.257884      2.916525      2.205815
88
Coordinates from ORCA-job orca E -6140.040267405727
  N      -2.202312      0.917417      4.782683
  Mo     -3.488079      2.394913      5.150653
  N      -5.202911      1.877233      5.956813
  C      -5.228932      1.640656      7.401876
  C      -3.872466      1.120358      7.855987
  N      -2.786590      1.931243      7.242521
  C      -1.521802      1.163670      7.108001
  C      -1.617324      0.217865      5.922518
  C      -2.559887      3.220689      7.951776
  C      -2.071662      4.243401      6.922033
  N      -2.984585      4.225139      5.783737
  H      -0.602335     -0.147925      5.673084
  H      -2.203579     -0.684600      6.198169
  H      -0.723008      1.893533      6.918276
  H      -1.286027      0.627874      8.045296
  H      -2.015630      5.246184      7.380659
  H      -1.050485      3.989587      6.592172
  H      -3.523579      3.555393      8.361254
  H      -1.856501      3.079684      8.792891
  H      -5.999125      0.895405      7.673548
  H      -5.490876      2.567314      7.953362
  H      -3.746611      0.090926      7.491576
  H      -3.782432      1.112042      8.957162
  C      -2.053234      0.179646      3.529148
  C      -2.932302     -1.090301      3.416260
  C      -4.030167     -1.024553      2.376971
  N      -3.964852     -0.077302      1.455912
  C      -4.970182     -0.003129      0.542368
  N      -6.008219     -0.804721      0.425480
  C      -6.083707     -1.820277      1.339552
  C      -7.166725     -2.729235      1.263785
  C      -7.279492     -3.750233      2.183477
  C      -6.317581     -3.903161      3.208478
  C      -5.251076     -3.030288      3.304406
  C      -5.106323     -1.972796      2.372672
  C      -4.031567      5.242755      5.806898
  C      -3.784249      6.445903      4.867583
  C      -4.105446      6.137974      3.432202
  N      -5.397003      5.971097      3.157194
  C      -5.739954      5.737500      1.865510
  N      -4.944486      5.713922      0.813136
  C      -3.610456      5.842319      1.074314
  C      -2.689450      5.761280      0.000658
  C      -1.333823      5.830575      0.243001
  C      -0.844301      5.988148      1.561418
  C      -1.718709      6.090560      2.623837
  C      -3.118623      6.030039      2.407035
  C      -6.501733      1.826710      5.288489
  C      -6.577529      0.634765      4.318473
  C      -7.672654      0.761416      3.301789
  N      -7.588835      1.812029      2.492072
  C      -8.515077      1.928382      1.510324
  N      -9.495100      1.090911      1.223523
  C      -9.615596      0.010846      2.052237
  C     -10.642558     -0.934620      1.806453
  C     -10.805502     -2.016553      2.646569
  C      -9.960144     -2.192402      3.766578
  C      -8.938978     -1.300106      4.016568
  C      -8.731205     -0.188772      3.161532
  H      -2.299305      0.842330      2.691322
  H      -0.990483     -0.107740      3.418807
  H      -3.389062     -1.307225      4.394362
  H      -2.313672     -1.974934      3.183516
  H      -4.895060      0.824872     -0.168734
  H      -7.905024     -2.580331      0.474863
  H      -8.127406     -4.435536      2.132040
  H      -6.423370     -4.715177      3.929935
  H      -4.513394     -3.160457      4.097204
  H      -5.007098      4.809209      5.526827
  H      -4.144074      5.626549      6.837517
  H      -4.472964      7.247397      5.178315
  H      -2.759526      6.815648      4.997567
  H      -6.805882      5.560253      1.683329
  H      -3.088581      5.621032     -1.004767
  H      -0.627894      5.754763     -0.586112
  H       0.232200      6.027129      1.735747
  H      -1.332509      6.200706      3.637204
  H      -7.313032      1.751768      6.034918
  H      -6.672379      2.748212      4.710960
  H      -5.626078      0.632167      3.764887
  H      -6.638636     -0.308981      4.874182
  H      -8.415754      2.819059      0.879840
  H     -11.290463     -0.771489      0.944047
  H     -11.593445     -2.745479      2.449531
  H     -10.109381     -3.048970      4.426011
  H      -8.277894     -1.458487      4.868631
  N      -4.043984      2.728269      3.306328
  N      -4.290678      2.928623      2.206390
88
Coordinates from ORCA-job orca E -6140.040845230367
  N      -2.190071      0.944091      4.756513
  Mo     -3.501790      2.396481      5.137229
  N      -5.210156      1.853181      5.940727
  C      -5.234169      1.582509      7.379624
  C      -3.867216      1.082759      7.825464
  N      -2.797030      1.922290      7.224319
  C      -1.517201      1.181867      7.085798
  C      -1.590257      0.247194      5.890180
  C      -2.601233      3.209950      7.945674
  C      -2.113255      4.247470      6.932127
  N      -3.009356      4.225744      5.780560
  H      -0.567148     -0.093739      5.638712
  H      -2.156325     -0.671237      6.154633
  H      -0.731632      1.928562      6.907297
  H      -1.273506      0.639906      8.017468
  H      -2.076557      5.247058      7.399297
  H      -1.084368      4.010529      6.613888
  H      -3.577807      3.526673      8.338810
  H      -1.911253      3.073812      8.798629
  H      -5.986446      0.811819      7.630623
  H      -5.520462      2.488477      7.952825
  H      -3.721535      0.061527      7.445767
  H      -3.777342      1.060279      8.926501
  C      -2.045935      0.206128      3.502351
  C      -2.917264     -1.070286      3.398721
  C      -4.020400     -1.019919      2.364441
  N      -3.961561     -0.085120      1.430276
  C      -4.972221     -0.025412      0.521447
  N      -6.010971     -0.828385      0.422907
  C      -6.079905     -1.831481      1.351089
  C      -7.162782     -2.741955      1.294785
  C      -7.266838     -3.752726      2.226903
  C      -6.296809     -3.892349      3.245949
  C      -5.231095     -3.016751      3.323849
  C      -5.094781     -1.969963      2.378927
  C      -4.058895      5.240673      5.785834
  C      -3.784887      6.452975      4.864959
  C      -4.083438      6.162679      3.420980
  N      -5.371598      6.014784      3.121096
  C      -5.693365      5.792127      1.822011
  N      -4.878321      5.759363      0.785044
  C      -3.547806      5.869130      1.071630
  C      -2.607974      5.778354      0.015278
  C      -1.256310      5.831247      0.283153
  C      -0.789854      5.981290      1.610653
  C      -1.682669      6.091667      2.656830
  C      -3.078940      6.047668      2.413929
  C      -6.510380      1.812317      5.274580
  C      -6.589485      0.627773      4.295471
  C      -7.703908      0.753291      3.299943
  N      -7.637003      1.806232      2.491327
  C      -8.583134      1.924865      1.529048
  N      -9.567003      1.086357      1.258765
  C      -9.669421      0.003336      2.086019
  C     -10.698178     -0.944025      1.856012
  C     -10.842381     -2.029350      2.695268
  C      -9.975637     -2.206807      3.798583
  C      -8.952754     -1.312148      4.033055
  C      -8.764046     -0.197468      3.178122
  H      -2.302436      0.866183      2.665522
  H      -0.982454     -0.074724      3.382927
  H      -3.367398     -1.286732      4.379894
  H      -2.292562     -1.950666      3.166000
  H      -4.901271      0.791507     -0.202747
  H      -7.907332     -2.603278      0.509890
  H      -8.113300     -4.440644      2.189966
  H      -6.395292     -4.696490      3.977165
  H      -4.487083     -3.137159      4.112237
  H      -5.024209      4.807828      5.471474
  H      -4.203568      5.613559      6.816436
  H      -4.468855      7.259686      5.172137
  H      -2.757921      6.808100      5.016075
  H      -6.758217      5.631967      1.619083
  H      -2.989820      5.644920     -0.997717
  H      -0.535861      5.748521     -0.532658
  H       0.283570      6.007888      1.804959
  H      -1.314350      6.195590      3.677418
  H      -7.321646      1.736392      6.020984
  H      -6.677266      2.737825      4.702703
  H      -5.648111      0.642456      3.725616
  H      -6.629485     -0.322071      4.842772
  H      -8.498107      2.818221      0.900397
  H     -11.362666     -0.779714      1.006598
  H     -11.632586     -2.759041      2.510579
  H     -10.110570     -3.065992      4.457691
  H      -8.275756     -1.471086      4.872437
  N      -4.068867      2.739668      3.296378
  N      -4.330918      2.941481      2.200500
88
Coordinates from ORCA-job orca E -6140.041396186677
  N      -2.176244      0.981849      4.721489
  Mo     -3.518861      2.400102      5.122134
  N      -5.217047      1.824834      5.923371
  C      -5.234630      1.519371      7.355375
  C      -3.855155      1.045166      7.790701
  N      -2.805738      1.917982      7.201486
  C      -1.508258      1.211569      7.054794
  C      -1.555282      0.289834      5.847372
  C      -2.646353      3.203721      7.935865
  C      -2.168733      4.261222      6.938917
  N      -3.048718      4.231788      5.774671
  H      -0.522337     -0.017620      5.592482
  H      -2.093294     -0.648751      6.098990
  H      -0.740906      1.979490      6.887359
  H      -1.251048      0.664054      7.979635
  H      -2.158690      5.256507      7.416410
  H      -1.130554      4.050050      6.632107
  H      -3.635513      3.494839      8.317282
  H      -1.965789      3.074957      8.797603
  H      -5.965172      0.721800      7.586397
  H      -5.546473      2.402961      7.949674
  H      -3.686529      0.033640      7.394825
  H      -3.763114      1.007765      8.891273
  C      -2.037691      0.244671      3.466237
  C      -2.897450     -1.040019      3.371874
  C      -4.008778     -0.999207      2.346105
  N      -3.958312     -0.070209      1.405481
  C      -4.977223     -0.015916      0.505493
  N      -6.018831     -0.816881      0.423451
  C      -6.079453     -1.814304      1.358371
  C      -7.164274     -2.723296      1.318609
  C      -7.258844     -3.730199      2.255965
  C      -6.277724     -3.866275      3.264831
  C      -5.210523     -2.991137      3.327475
  C      -5.083303     -1.948878      2.376339
  C      -4.102905      5.240596      5.757050
  C      -3.801665      6.462112      4.856065
  C      -4.064344      6.181563      3.403164
  N      -5.345314      6.051101      3.067277
  C      -5.633175      5.829544      1.759806
  N      -4.789263      5.780051      0.746877
  C      -3.465901      5.871610      1.071047
  C      -2.497327      5.761197      0.042771
  C      -1.153248      5.795840      0.349518
  C      -0.723091      5.946541      1.689134
  C      -1.644015      6.075133      2.708487
  C      -3.033236      6.049918      2.425455
  C      -6.520716      1.789427      5.263721
  C      -6.603462      0.612936      4.275471
  C      -7.739701      0.736270      3.305014
  N      -7.692561      1.791163      2.497297
  C      -8.660772      1.910739      1.557250
  N      -9.648731      1.070523      1.307160
  C      -9.730180     -0.014917      2.133827
  C     -10.761467     -0.964406      1.924502
  C     -10.883822     -2.052382      2.763984
  C      -9.991697     -2.230664      3.846840
  C      -8.966521     -1.333513      4.061043
  C      -8.800470     -0.216091      3.205160
  H      -2.310018      0.901427      2.631769
  H      -0.972682     -0.024792      3.334809
  H      -3.337676     -1.259000      4.356965
  H      -2.267121     -1.915379      3.135150
  H      -4.911763      0.795718     -0.225194
  H      -7.917553     -2.587259      0.541522
  H      -8.105697     -4.418256      2.231527
  H      -6.368414     -4.667457      4.000364
  H      -4.457926     -3.109105      4.108092
  H      -5.053224      4.805101      5.403441
  H      -4.287333      5.601529      6.785640
  H      -4.487084      7.271400      5.152525
  H      -2.776124      6.808266      5.035443
  H      -6.694304      5.684171      1.527394
  H      -2.851612      5.627820     -0.980240
  H      -0.410740      5.698105     -0.444633
  H       0.344644      5.958998      1.914060
  H      -1.304361      6.178810      3.738985
  H      -7.329032      1.709587      6.012938
  H      -6.688660      2.718672      4.698580
  H      -5.674476      0.646068      3.686811
  H      -6.618959     -0.342917      4.813613
  H      -8.591513      2.806252      0.929451
  H     -11.445557     -0.799718      1.090817
  H     -11.676698     -2.783126      2.595296
  H     -10.109586     -3.092169      4.506274
  H      -8.270801     -1.492590      4.885005
  N      -4.101721      2.749871      3.286955
  N      -4.381981      2.949713      2.194891
88
Coordinates from ORCA-job orca E -6140.041931355544
  N      -2.170884      1.011160      4.686757
  Mo     -3.532500      2.406512      5.103363
  N      -5.220010      1.806333      5.906591
  C      -5.228510      1.475929      7.333270
  C      -3.838145      1.023173      7.758683
  N      -2.806939      1.921399      7.175381
  C      -1.496639      1.242446      7.019212
  C      -1.528377      0.327781      5.806072
  C      -2.674413      3.204487      7.919765
  C      -2.216454      4.281119      6.935022
  N      -3.089098      4.240862      5.765752
  H      -0.489117      0.047533      5.545305
  H      -2.042093     -0.625336      6.052838
  H      -0.745141      2.026775      6.855714
  H      -1.224613      0.693130      7.938808
  H      -2.232627      5.271477      7.422336
  H      -1.171333      4.097748      6.632962
  H      -3.670734      3.471445      8.299911
  H      -1.994205      3.082695      8.782805
  H      -5.940842      0.658511      7.551121
  H      -5.558554      2.342735      7.942095
  H      -3.653191      0.018978      7.351716
  H      -3.741332      0.975708      8.858479
  C      -2.035319      0.273176      3.431520
  C      -2.886017     -1.018082      3.346701
  C      -4.003342     -0.988771      2.327109
  N      -3.961716     -0.066000      1.379847
  C      -4.986692     -0.020594      0.486396
  N      -6.027918     -0.823327      0.417956
  C      -6.079117     -1.815012      1.359476
  C      -7.162378     -2.726372      1.333726
  C      -7.246633     -3.729030      2.276597
  C      -6.256843     -3.857631      3.277916
  C      -5.191468     -2.979422      3.327570
  C      -5.074477     -1.941771      2.370155
  C      -4.147856      5.242579      5.732823
  C      -3.827431      6.475171      4.852326
  C      -4.053597      6.203994      3.391770
  N      -5.326271      6.098708      3.018194
  C      -5.579344      5.881510      1.702766
  N      -4.706647      5.812160      0.715641
  C      -3.391896      5.877760      1.079031
  C      -2.395088      5.744770      0.080703
  C      -1.060398      5.753090      0.427892
  C      -0.667812      5.899217      1.779446
  C      -1.616333      6.049230      2.770151
  C      -2.996573      6.050955      2.445297
  C      -6.527880      1.771964      5.255047
  C      -6.615380      0.602557      4.258679
  C      -7.771249      0.724631      3.311545
  N      -7.742645      1.783154      2.507421
  C      -8.729867      1.904783      1.587726
  N      -9.721015      1.063483      1.354321
  C      -9.783203     -0.025601      2.177857
  C     -10.816449     -0.976580      1.985536
  C     -10.918921     -2.068660      2.822346
  C     -10.004120     -2.249924      3.885690
  C      -8.977117     -1.351005      4.083224
  C      -8.831796     -0.229315      3.229378
  H      -2.319106      0.926213      2.597800
  H      -0.969291      0.012295      3.292073
  H      -3.319343     -1.234969      4.335282
  H      -2.251195     -1.890196      3.110209
  H      -4.927833      0.785704     -0.250705
  H      -7.922438     -2.596207      0.562256
  H      -8.091364     -4.419935      2.262569
  H      -6.339042     -4.655494      4.018010
  H      -4.432212     -3.091505      4.102522
  H      -5.083614      4.803383      5.346872
  H      -4.364766      5.590702      6.759570
  H      -4.517944      7.282997      5.139831
  H      -2.805434      6.816647      5.058982
  H      -6.635940      5.757542      1.439267
  H      -2.720883      5.615594     -0.952262
  H      -0.296466      5.637993     -0.343251
  H       0.392704      5.891131      2.036342
  H      -1.306458      6.148676      3.810347
  H      -7.331889      1.687717      6.008412
  H      -6.699748      2.703939      4.695782
  H      -5.698297      0.652137      3.653268
  H      -6.609307     -0.358061      4.788499
  H      -8.674345      2.802874      0.962207
  H     -11.518125     -0.809812      1.167042
  H     -11.713850     -2.800033      2.666832
  H     -10.106492     -3.114824      4.543251
  H      -8.264816     -1.512176      4.892440
  N      -4.132544      2.761474      3.273542
  N      -4.431804      2.957309      2.185894
88
Coordinates from ORCA-job orca E -6140.042471790319
  N      -2.160839      1.045721      4.649575
  Mo     -3.541579      2.415235      5.084691
  N      -5.216416      1.787136      5.889815
  C      -5.213585      1.434907      7.311857
  C      -3.811615      1.007306      7.727701
  N      -2.801272      1.932298      7.148312
  C      -1.477232      1.284494      6.980025
  C      -1.494287      0.374561      5.762885
  C      -2.697296      3.212134      7.902781
  C      -2.269268      4.310893      6.928976
  N      -3.137435      4.254126      5.757017
  H      -0.448987      0.124457      5.495155
  H      -1.980602     -0.593148      6.007389
  H      -0.745397      2.087464      6.817030
  H      -1.185983      0.736565      7.894752
  H      -2.319395      5.294535      7.427467
  H      -1.216852      4.164290      6.630788
  H      -3.699130      3.449628      8.287476
  H      -2.012198      3.099986      8.763332
  H      -5.905887      0.597823      7.518496
  H      -5.562573      2.285545      7.932711
  H      -3.608872      0.010350      7.311663
  H      -3.708551      0.951525      8.826542
  C      -2.025685      0.306994      3.394501
  C      -2.869317     -0.988938      3.315664
  C      -3.990912     -0.963774      2.300321
  N      -3.952300     -0.044440      1.349463
  C      -4.981478      0.000488      0.461098
  N      -6.026317     -0.798574      0.402008
  C      -6.074177     -1.787416      1.346679
  C      -7.161074     -2.694865      1.331123
  C      -7.242159     -3.695205      2.276605
  C      -6.245539     -3.825212      3.271156
  C      -5.176869     -2.950457      3.311405
  C      -5.063214     -1.915143      2.350996
  C      -4.202900      5.245682      5.708207
  C      -3.871631      6.489416      4.845419
  C      -4.056592      6.220502      3.379240
  N      -5.318063      6.144518      2.963284
  C      -5.531306      5.922777      1.641416
  N      -4.627277      5.823658      0.685307
  C      -3.324444      5.857348      1.093476
  C      -2.297263      5.688069      0.131849
  C      -0.975988      5.659713      0.526121
  C      -0.627062      5.804147      1.889907
  C      -1.605227      5.989861      2.845219
  C      -2.972185      6.030184      2.471206
  C      -6.529313      1.748805      5.248377
  C      -6.624309      0.583577      4.247701
  C      -7.797784      0.704149      3.322087
  N      -7.783253      1.762958      2.517738
  C      -8.786139      1.885012      1.615281
  N      -9.782107      1.044404      1.399957
  C      -9.830276     -0.044039      2.225361
  C     -10.868339     -0.993867      2.053281
  C     -10.956695     -2.085136      2.892750
  C     -10.022202     -2.267298      3.938886
  C      -8.990337     -1.369709      4.116443
  C      -8.860271     -0.248686      3.259440
  H      -2.318178      0.956997      2.561235
  H      -0.958385      0.054455      3.250163
  H      -3.298276     -1.203203      4.306856
  H      -2.232742     -1.859825      3.079634
  H      -4.923976      0.803474     -0.279733
  H      -7.926352     -2.563824      0.564917
  H      -8.089150     -4.383471      2.270026
  H      -6.324879     -4.621257      4.013565
  H      -4.412604     -3.062777      4.081411
  H      -5.122426      4.797835      5.294530
  H      -4.451099      5.581695      6.732101
  H      -4.573580      7.291222      5.120282
  H      -2.856479      6.833899      5.079830
  H      -6.581291      5.822749      1.343222
  H      -2.590084      5.559810     -0.911109
  H      -0.189187      5.515991     -0.216765
  H       0.423053      5.766382      2.184333
  H      -1.330409      6.086523      3.895581
  H      -7.327420      1.661513      6.007678
  H      -6.707374      2.681731      4.692682
  H      -5.718739      0.643947      3.626506
  H      -6.600081     -0.379249      4.772988
  H      -8.739752      2.782626      0.987989
  H     -11.585420     -0.826722      1.248255
  H     -11.755808     -2.815195      2.753085
  H     -10.113526     -3.131727      4.598727
  H      -8.263729     -1.531797      4.912651
  N      -4.161992      2.771572      3.261882
  N      -4.483266      2.958800      2.178685
88
Coordinates from ORCA-job orca E -6140.042971247381
  N      -2.157821      1.077011      4.619704
  Mo     -3.549840      2.429264      5.070316
  N      -5.214366      1.779254      5.878473
  C      -5.201295      1.411845      7.297091
  C      -3.790899      1.002866      7.704648
  N      -2.796833      1.947154      7.126906
  C      -1.463340      1.322273      6.947442
  C      -1.473203      0.415085      5.728076
  C      -2.710528      3.222382      7.890770
  C      -2.308056      4.338268      6.924697
  N      -3.176033      4.268839      5.753285
  H      -0.425176      0.184959      5.453060
  H      -1.940916     -0.561476      5.973348
  H      -0.747078      2.138759      6.782196
  H      -1.156318      0.776388      7.858353
  H      -2.384881      5.315425      7.432395
  H      -1.251498      4.221321      6.627498
  H      -3.714207      3.438540      8.282889
  H      -2.018546      3.115889      8.746510
  H      -5.878801      0.561062      7.496257
  H      -5.563375      2.250309      7.926884
  H      -3.575543      0.011414      7.282057
  H      -3.681607      0.941114      8.802474
  C      -2.021114      0.340050      3.363735
  C      -2.859261     -0.959289      3.286161
  C      -3.981405     -0.938219      2.271220
  N      -3.944470     -0.020862      1.318310
  C      -4.974086      0.021109      0.430675
  N      -6.019691     -0.777561      0.375612
  C      -6.065844     -1.764178      1.322569
  C      -7.153620     -2.670931      1.312034
  C      -7.232224     -3.670093      2.258898
  C      -6.232305     -3.799581      3.250309
  C      -5.163117     -2.925414      3.285955
  C      -5.052178     -1.891008      2.324131
  C      -4.243301      5.256383      5.693301
  C      -3.903798      6.507072      4.842186
  C      -4.058110      6.237599      3.373480
  N      -5.309661      6.197829      2.923694
  C      -5.493366      5.971674      1.598194
  N      -4.567245      5.837143      0.667937
  C      -3.275693      5.832254      1.111701
  C      -2.228535      5.621985      0.180224
  C      -0.920604      5.551314      0.611670
  C      -0.605084      5.692764      1.984037
  C      -1.602605      5.918770      2.910379
  C      -2.955996      6.003682      2.497372
  C      -6.531016      1.735250      5.245550
  C      -6.632578      0.569036      4.246248
  C      -7.817270      0.685228      3.334212
  N      -7.812567      1.741668      2.526502
  C      -8.825146      1.860305      1.634676
  N      -9.823773      1.019226      1.433878
  C      -9.862834     -0.065471      2.264471
  C     -10.904089     -1.014804      2.109271
  C     -10.983509     -2.102341      2.954273
  C     -10.035895     -2.281979      3.989195
  C      -9.000622     -1.384998      4.150128
  C      -8.880629     -0.267251      3.287465
  H      -2.317718      0.989592      2.531399
  H      -0.952741      0.093438      3.217948
  H      -3.287193     -1.172039      4.278215
  H      -2.220183     -1.828546      3.051289
  H      -4.917276      0.821241     -0.313271
  H      -7.921059     -2.540863      0.547829
  H      -8.079205     -4.358246      2.255375
  H      -6.309429     -4.594745      3.993868
  H      -4.396498     -3.036497      4.053764
  H      -5.153251      4.804665      5.263231
  H      -4.509828      5.585533      6.714933
  H      -4.614831      7.303905      5.106276
  H      -2.894064      6.854102      5.096584
  H      -6.537394      5.901683      1.272347
  H      -2.496409      5.495991     -0.869674
  H      -0.118920      5.375501     -0.108012
  H       0.434377      5.620322      2.308250
  H      -1.354891      6.011432      3.967886
  H      -7.324204      1.648124      6.010059
  H      -6.714313      2.666926      4.689398
  H      -5.734784      0.633414      3.614413
  H      -6.597466     -0.392972      4.772431
  H      -8.785146      2.755092      1.003016
  H     -11.631385     -0.849904      1.312992
  H     -11.785954     -2.831298      2.828476
  H     -10.120242     -3.143525      4.653692
  H      -8.264359     -1.545195      4.937779
  N      -4.189405      2.788644      3.254522
  N      -4.531235      2.969428      2.176614
88
Coordinates from ORCA-job orca E -6140.043459432354
  N      -2.157890      1.109160      4.592286
  Mo     -3.561975      2.443397      5.058730
  N      -5.216902      1.769694      5.868754
  C      -5.194371      1.389451      7.284072
  C      -3.777189      0.996955      7.683862
  N      -2.797995      1.958767      7.108689
  C      -1.456088      1.354240      6.918895
  C      -1.459718      0.452132      5.695605
  C      -2.725035      3.228104      7.883222
  C      -2.343339      4.358747      6.924504
  N      -3.211100      4.280595      5.753372
  H      -0.410163      0.237351      5.414180
  H      -1.913529     -0.531300      5.939927
  H      -0.753951      2.182671      6.752653
  H      -1.136008      0.809178      7.825826
  H      -2.442446      5.329730      7.440126
  H      -1.284006      4.266642      6.628424
  H      -3.729354      3.427413      8.282526
  H      -2.026814      3.123951      8.734126
  H      -5.858990      0.526975      7.476619
  H      -5.567865      2.216344      7.922502
  H      -3.549660      0.011244      7.254342
  H      -3.662354      0.929024      8.780691
  C      -2.018748      0.377462      3.333677
  C      -2.853494     -0.923689      3.252824
  C      -3.973817     -0.903976      2.235977
  N      -3.933474      0.009660      1.279588
  C      -4.961254      0.049694      0.389955
  N      -6.010225     -0.745098      0.338559
  C      -6.060872     -1.726517      1.290519
  C      -7.153254     -2.628142      1.285576
  C      -7.234956     -3.623213      2.236503
  C      -6.234126     -3.753400      3.226994
  C      -5.160912     -2.884262      3.257379
  C      -5.046757     -1.853912      2.291388
  C      -4.274502      5.270988      5.679844
  C      -3.924771      6.524514      4.835177
  C      -4.048180      6.252287      3.364805
  N      -5.288688      6.238438      2.883328
  C      -5.443931      6.002013      1.556001
  N      -4.498308      5.835768      0.651042
  C      -3.218934      5.804728      1.127671
  C      -2.154254      5.559896      0.225123
  C      -0.859844      5.461786      0.690431
  C      -0.575464      5.609906      2.069029
  C      -1.590098      5.869648      2.967702
  C      -2.930087      5.982525      2.519375
  C      -6.535707      1.717835      5.242145
  C      -6.641976      0.544044      4.251669
  C      -7.834170      0.650388      3.348149
  N      -7.836802      1.699507      2.530946
  C      -8.856616      1.810061      1.646595
  N      -9.858036      0.968282      1.463174
  C      -9.890847     -0.107685      2.305155
  C     -10.936975     -1.054936      2.171249
  C     -11.011110     -2.133231      3.028278
  C     -10.051487     -2.306832      4.053390
  C      -9.011307     -1.411753      4.193682
  C      -8.898314     -0.301994      3.319678
  H      -2.316622      1.029396      2.503565
  H      -0.949512      0.134854      3.187806
  H      -3.282686     -1.136716      4.244324
  H      -2.212368     -1.791528      3.018350
  H      -4.900626      0.844637     -0.359245
  H      -7.920719     -2.498223      0.521341
  H      -8.084331     -4.308241      2.236006
  H      -6.313740     -4.545354      3.973722
  H      -4.393748     -2.995187      4.024675
  H      -5.179436      4.819740      5.239124
  H      -4.553227      5.599089      6.698660
  H      -4.646619      7.315683      5.085206
  H      -2.921650      6.877101      5.108838
  H      -6.480678      5.952872      1.204540
  H      -2.398656      5.429629     -0.829959
  H      -0.044892      5.259232     -0.006991
  H       0.453393      5.515422      2.420325
  H      -1.367337      5.966821      4.030276
  H      -7.325344      1.634891      6.010892
  H      -6.723180      2.645318      4.680395
  H      -5.749551      0.606013      3.611963
  H      -6.600214     -0.413683      4.785185
  H      -8.821665      2.698320      1.005605
  H     -11.673217     -0.895097      1.382161
  H     -11.819026     -2.859221      2.920574
  H     -10.131427     -3.161268      4.727559
  H      -8.266487     -1.566630      4.974358
  N      -4.221540      2.806765      3.251331
  N      -4.584260      2.983621      2.179522
88
Coordinates from ORCA-job orca E -6140.043980418557
  N      -2.167301      1.145095      4.572899
  Mo     -3.582078      2.462220      5.056558
  N      -5.227085      1.765014      5.871281
  C      -5.192502      1.375442      7.283706
  C      -3.769258      0.996988      7.673571
  N      -2.804403      1.973716      7.098878
  C      -1.455804      1.385618      6.897430
  C      -1.457921      0.489093      5.669946
  C      -2.737747      3.236964      7.883523
  C      -2.373593      4.378769      6.929468
  N      -3.244132      4.294501      5.760770
  H      -0.408684      0.283741      5.380864
  H      -1.902892     -0.498687      5.913862
  H      -0.766021      2.223708      6.728454
  H      -1.123751      0.841078      7.800209
  H      -2.488636      5.345012      7.450653
  H      -1.313195      4.305315      6.632172
  H      -3.740317      3.425000      8.292575
  H      -2.031373      3.132519      8.727455
  H      -5.846505      0.504050      7.473494
  H      -5.573346      2.192553      7.930451
  H      -3.531414      0.016752      7.237155
  H      -3.647253      0.923684      8.769220
  C      -2.025289      0.423992      3.308916
  C      -2.854000     -0.880388      3.217278
  C      -3.969824     -0.859294      2.195803
  N      -3.925919      0.057203      1.242186
  C      -4.948993      0.097357      0.347374
  N      -5.998320     -0.696686      0.290969
  C      -6.054159     -1.678602      1.241820
  C      -7.148919     -2.577699      1.233477
  C      -7.234268     -3.574552      2.182211
  C      -6.235138     -3.709101      3.173887
  C      -5.160042     -2.842786      3.207591
  C      -5.042363     -1.809904      2.244440
  C      -4.294580      5.297195      5.670207
  C      -3.928659      6.544052      4.821475
  C      -4.026422      6.260928      3.351738
  N      -5.256487      6.270619      2.843207
  C      -5.389016      6.016793      1.516702
  N      -4.429144      5.813131      0.634992
  C      -3.161073      5.761143      1.139080
  C      -2.084133      5.478595      0.262728
  C      -0.801883      5.360626      0.756167
  C      -0.541959      5.526647      2.137532
  C      -1.568642      5.822229      3.011214
  C      -2.896906      5.954386      2.533835
  C      -6.547872      1.704039      5.251922
  C      -6.657866      0.517941      4.275982
  C      -7.853385      0.610761      3.375486
  N      -7.861095      1.650105      2.546164
  C      -8.883724      1.748755      1.664083
  N      -9.885472      0.904347      1.495188
  C      -9.914120     -0.161146      2.350443
  C     -10.961888     -1.108728      2.233428
  C     -11.032028     -2.177327      3.102608
  C     -10.064812     -2.341866      4.122262
  C      -9.023207     -1.445799      4.246648
  C      -8.915761     -0.344128      3.361515
  H      -2.324857      1.081981      2.484146
  H      -0.954861      0.187249      3.162116
  H      -3.285389     -1.100814      4.206119
  H      -2.207876     -1.743515      2.979099
  H      -4.884374      0.891438     -0.402408
  H      -7.914035     -2.445229      0.467360
  H      -8.084621     -4.258172      2.178137
  H      -6.318020     -4.502415      3.918790
  H      -4.394535     -2.956598      3.976053
  H      -5.201515      4.852631      5.227235
  H      -4.576121      5.635252      6.685085
  H      -4.658902      7.332835      5.053162
  H      -2.931211      6.902165      5.109474
  H      -6.418914      5.985609      1.144002
  H      -2.309959      5.336521     -0.794927
  H       0.022432      5.129448      0.078958
  H       0.477429      5.417045      2.511281
  H      -1.365342      5.933156      4.076129
  H      -7.334099      1.628101      6.025075
  H      -6.739390      2.624881      4.680967
  H      -5.768462      0.572075      3.631378
  H      -6.613797     -0.432988      4.821375
  H      -8.852410      2.628598      1.011490
  H     -11.703281     -0.956451      1.447690
  H     -11.842858     -2.902190      3.009726
  H     -10.140933     -3.189027      4.805964
  H      -8.272627     -1.592902      5.023297
  N      -4.265493      2.827854      3.259161
  N      -4.651808      3.001987      2.195530
88
Coordinates from ORCA-job orca E -6140.044529483053
  N      -2.178357      1.189512      4.553284
  Mo     -3.608251      2.484023      5.055787
  N      -5.239846      1.756889      5.876023
  C      -5.189767      1.356838      7.284557
  C      -3.759104      0.995533      7.661887
  N      -2.811782      1.990051      7.088593
  C      -1.455767      1.421181      6.874270
  C      -1.455174      0.533271      5.640746
  C      -2.753786      3.247246      7.883681
  C      -2.408634      4.400523      6.935780
  N      -3.282063      4.310966      5.769803
  H      -0.406271      0.339410      5.343087
  H      -1.889436     -0.460218      5.881444
  H      -0.779486      2.269887      6.704144
  H      -1.110674      0.876049      7.771548
  H      -2.537206      5.361963      7.462600
  H      -1.347787      4.344825      6.635884
  H      -3.754963      3.421921      8.301957
  H      -2.039466      3.143225      8.720749
  H      -5.830735      0.475047      7.472124
  H      -5.577844      2.162337      7.941683
  H      -3.509098      0.022475      7.216280
  H      -3.628936      0.915768      8.756169
  C      -2.035230      0.482931      3.281755
  C      -2.854413     -0.826954      3.177850
  C      -3.969180     -0.804140      2.155324
  N      -3.924102      0.115449      1.204562
  C      -4.943583      0.154880      0.305788
  N      -5.992092     -0.639776      0.245329
  C      -6.051287     -1.622110      1.195365
  C      -7.147640     -2.519444      1.184822
  C      -7.235317     -3.517534      2.132080
  C      -6.236880     -3.655345      3.123992
  C      -5.160393     -2.791071      3.159811
  C      -5.040728     -1.756052      2.199023
  C      -4.316967      5.327373      5.659490
  C      -3.928663      6.561587      4.802539
  C      -3.999735      6.261996      3.334479
  N      -5.217066      6.294627      2.796658
  C      -5.325115      6.022054      1.471608
  N      -4.350787      5.778399      0.616338
  C      -3.096086      5.705377      1.150550
  C      -2.006744      5.381383      0.304486
  C      -0.738818      5.243938      0.829295
  C      -0.505905      5.431206      2.212561
  C      -1.544964      5.765257      3.057266
  C      -2.859210      5.917010      2.547621
  C      -6.562918      1.684919      5.265028
  C      -6.673451      0.489948      4.299573
  C      -7.874083      0.569357      3.404801
  N      -7.890910      1.602252      2.567917
  C      -8.918800      1.691749      1.691599
  N      -9.920071      0.844102      1.536611
  C      -9.939640     -0.215736      2.399406
  C     -10.987111     -1.165186      2.297046
  C     -11.047534     -2.229683      3.171937
  C     -10.069276     -2.388633      4.181921
  C      -9.028699     -1.489566      4.292985
  C      -8.932093     -0.390579      3.403084
  H      -2.341664      1.148107      2.465324
  H      -0.963563      0.255423      3.128993
  H      -3.283685     -1.060538      4.164484
  H      -2.201230     -1.682258      2.930643
  H      -4.876684      0.948615     -0.444200
  H      -7.911203     -2.385107      0.417525
  H      -8.086501     -4.200032      2.125989
  H      -6.322022     -4.449701      3.867519
  H      -4.395863     -2.907205      3.928890
  H      -5.226657      4.891832      5.213674
  H      -4.600761      5.680175      6.668775
  H      -4.663574      7.352509      5.011347
  H      -2.936404      6.922847      5.104513
  H      -6.346774      6.008826      1.075448
  H      -2.212048      5.224860     -0.755289
  H       0.095008      4.981518      0.175512
  H       0.502308      5.307056      2.611221
  H      -1.363100      5.892502      4.124143
  H      -7.344895      1.611152      6.042883
  H      -6.761935      2.599928      4.687874
  H      -5.788303      0.541959      3.649031
  H      -6.622940     -0.456592      4.852068
  H      -8.894063      2.566481      1.031641
  H     -11.736155     -1.017734      1.517692
  H     -11.859150     -2.955222      3.091596
  H     -10.136934     -3.232967      4.869980
  H      -8.269924     -1.631169      5.062687
  N      -4.319026      2.849529      3.269061
  N      -4.730741      3.022004      2.215019
88
Coordinates from ORCA-job orca E -6140.045096862455
  N      -2.190357      1.236008      4.534392
  Mo     -3.635741      2.506768      5.055778
  N      -5.252860      1.748048      5.881396
  C      -5.186369      1.338235      7.285852
  C      -3.748432      0.994825      7.650268
  N      -2.819466      2.007338      7.078609
  C      -1.456150      1.458125      6.851249
  C      -1.453249      0.579269      5.611577
  C      -2.769478      3.258174      7.884269
  C      -2.443847      4.422546      6.942482
  N      -3.320700      4.327821      5.779678
  H      -0.405080      0.396410      5.305009
  H      -1.877179     -0.419659      5.848953
  H      -0.793762      2.317377      6.679911
  H      -1.097921      0.912593      7.742832
  H      -2.585334      5.379127      7.474745
  H      -1.383011      4.384345      6.639472
  H      -3.768665      3.419680      8.312482
  H      -2.046580      3.154495      8.713744
  H      -5.814025      0.446239      7.471749
  H      -5.581173      2.131921      7.953487
  H      -3.485917      0.029483      7.195142
  H      -3.609817      0.908676      8.743062
  C      -2.046375      0.545506      3.254775
  C      -2.855375     -0.770060      3.137501
  C      -3.969471     -0.745032      2.114378
  N      -3.923686      0.178329      1.167112
  C      -4.939427      0.216921      0.264235
  N      -5.986621     -0.578881      0.199171
  C      -6.049014     -1.561984      1.148018
  C      -7.146620     -2.457945      1.134781
  C      -7.236306     -3.457724      2.080123
  C      -6.238590     -3.598839      3.072265
  C      -5.161010     -2.736274      3.110639
  C      -5.039664     -1.698646      2.152695
  C      -4.338022      5.359111      5.648879
  C      -3.926407      6.578074      4.781632
  C      -3.971414      6.259369      3.316409
  N      -5.174813      6.313533      2.749301
  C      -5.259145      6.019980      1.426962
  N      -4.272198      5.735084      0.599379
  C      -3.031872      5.642875      1.163558
  C      -1.932022      5.276594      0.349032
  C      -0.679265      5.121954      0.905012
  C      -0.472377      5.333569      2.288656
  C      -1.522129      5.706633      3.103249
  C      -2.821562      5.875650      2.561619
  C      -6.577974      1.664642      5.278888
  C      -6.688430      0.460578      4.324262
  C      -7.893398      0.526383      3.434448
  N      -7.918878      1.552782      2.590206
  C      -8.951576      1.633620      1.719408
  N      -9.952649      0.783327      1.578195
  C      -9.963623     -0.271023      2.448197
  C     -11.011396     -1.221414      2.360428
  C     -11.062664     -2.282028      3.240587
  C     -10.073164     -2.436607      4.240244
  C      -9.033187     -1.535286      4.338197
  C      -8.946952     -0.438534      3.444263
  H      -2.360461      1.218468      2.447718
  H      -0.973533      0.327932      3.095277
  H      -3.281786     -1.018342      4.121660
  H      -2.194682     -1.616591      2.879990
  H      -4.870512      1.010640     -0.485633
  H      -7.908509     -2.321751      0.366202
  H      -8.087977     -4.139507      2.071559
  H      -6.325822     -4.394601      3.814029
  H      -4.397469     -2.854868      3.880320
  H      -5.251682      4.933873      5.201734
  H      -4.621768      5.728973      6.652117
  H      -4.665640      7.371216      4.965959
  H      -2.939582      6.943458      5.096377
  H      -6.271725      6.023429      1.007405
  H      -2.117451      5.103381     -0.711785
  H       0.162696      4.827777      0.275621
  H       0.524061      5.196832      2.712008
  H      -1.360897      5.852684      4.170944
  H      -7.355731      1.592866      6.061357
  H      -6.784874      2.573504      4.695496
  H      -5.807106      0.509951      3.668401
  H      -6.632241     -0.481446      4.883958
  H      -8.933001      2.503253      1.052229
  H     -11.768095     -1.077893      1.587796
  H     -11.875657     -3.007384      3.172962
  H     -10.132678     -3.278315      4.932238
  H      -8.266191     -1.672069      5.100618
  N      -4.374940      2.870745      3.280310
  N      -4.812762      3.041210      2.236906
88
Coordinates from ORCA-job orca E -6140.045207968416
  N      -2.204934      1.258670      4.520659
  Mo     -3.657040      2.518621      5.052984
  N      -5.263960      1.743114      5.884885
  C      -5.185243      1.329337      7.286940
  C      -3.743107      0.993090      7.640785
  N      -2.824220      2.014355      7.068947
  C      -1.458419      1.474162      6.832798
  C      -1.457361      0.601202      5.589370
  C      -2.775869      3.262060      7.879755
  C      -2.459922      4.430469      6.940366
  N      -3.342446      4.336510      5.782047
  H      -0.410532      0.423514      5.275529
  H      -1.875716     -0.400548      5.825108
  H      -0.801993      2.337800      6.660736
  H      -1.092830      0.927221      7.720331
  H      -2.600053      5.385847      7.475032
  H      -1.400725      4.395340      6.630890
  H      -3.773046      3.417950      8.314718
  H      -2.047229      3.158006      8.704010
  H      -5.807410      0.433869      7.475214
  H      -5.578607      2.118563      7.960769
  H      -3.476485      0.032080      7.178953
  H      -3.598180      0.902942      8.732464
  C      -2.060588      0.581026      3.234885
  C      -2.849632     -0.746611      3.115297
  C      -3.975011     -0.734038      2.104939
  N      -3.958829      0.199388      1.166591
  C      -4.983427      0.222729      0.273203
  N      -6.012829     -0.595934      0.210247
  C      -6.045326     -1.588191      1.151070
  C      -7.121444     -2.509803      1.138325
  C      -7.178245     -3.521400      2.073744
  C      -6.168890     -3.648199      3.055779
  C      -5.112148     -2.760341      3.093866
  C      -5.023793     -1.710979      2.145196
  C      -4.350649      5.375818      5.645741
  C      -3.925801      6.585685      4.773108
  C      -3.956037      6.257545      3.309222
  N      -5.152171      6.314594      2.727399
  C      -5.222145      6.013533      1.405923
  N      -4.227058      5.715919      0.592524
  C      -2.993818      5.621824      1.171956
  C      -1.886194      5.243684      0.373559
  C      -0.640207      5.090185      0.945223
  C      -0.448282      5.314233      2.328825
  C      -1.506152      5.697171      3.128057
  C      -2.799000      5.865123      2.570400
  C      -6.591639      1.656145      5.289111
  C      -6.702838      0.457738      4.326903
  C      -7.911568      0.529823      3.442391
  N      -7.940528      1.564125      2.608023
  C      -8.979579      1.657539      1.746502
  N      -9.986576      0.814083      1.607524
  C      -9.994276     -0.249039      2.467040
  C     -11.050472     -1.190145      2.382494
  C     -11.099474     -2.259254      3.252439
  C     -10.097831     -2.432586      4.236697
  C      -9.050573     -1.539478      4.332159
  C      -8.967612     -0.432648      3.450317
  H      -2.391634      1.255604      2.436034
  H      -0.986236      0.379983      3.063925
  H      -3.260299     -1.011420      4.101722
  H      -2.176692     -1.578679      2.842684
  H      -4.939230      1.024311     -0.470162
  H      -7.892331     -2.385023      0.376872
  H      -8.011820     -4.225058      2.064302
  H      -6.230275     -4.453719      3.789505
  H      -4.338820     -2.869095      3.855122
  H      -5.267894      4.958116      5.199083
  H      -4.630637      5.754565      6.646666
  H      -4.665287      7.381905      4.943896
  H      -2.941683      6.951879      5.094906
  H      -6.229453      6.021139      0.973701
  H      -2.060073      5.061892     -0.687746
  H       0.207909      4.787608      0.328260
  H       0.543001      5.179120      2.764500
  H      -1.356479      5.852912      4.196022
  H      -7.364804      1.576133      6.075377
  H      -6.806495      2.567058      4.712217
  H      -5.823860      0.512661      3.668300
  H      -6.644624     -0.488671      4.878942
  H      -8.962608      2.533087      1.086941
  H     -11.815728     -1.032247      1.621259
  H     -11.920515     -2.975919      3.189139
  H     -10.155047     -3.281031      4.920556
  H      -8.275897     -1.688795      5.084385
  N      -4.412709      2.882323      3.283603
  N      -4.862218      3.055431      2.246632
88
Coordinates from ORCA-job orca E -6140.045280729093
  N      -2.195104      1.288113      4.538051
  Mo     -3.661333      2.529028      5.074465
  N      -5.262517      1.736834      5.903942
  C      -5.178592      1.327897      7.306709
  C      -3.733755      1.002166      7.659472
  N      -2.821741      2.029332      7.087437
  C      -1.452794      1.496420      6.849735
  C      -1.446289      0.627628      5.603467
  C      -2.778688      3.278444      7.897018
  C      -2.470859      4.447494      6.957120
  N      -3.354265      4.348974      5.800007
  H      -0.398169      0.455245      5.290911
  H      -1.860780     -0.377112      5.833446
  H      -0.801193      2.364085      6.678998
  H      -1.084510      0.950129      7.736453
  H      -2.614809      5.402835      7.491018
  H      -1.411078      4.417603      6.647107
  H      -3.775144      3.428591      8.335371
  H      -2.046677      3.178589      8.718847
  H      -5.794635      0.429175      7.499904
  H      -5.575411      2.116496      7.979530
  H      -3.460036      0.043365      7.197091
  H      -3.588056      0.913223      8.751267
  C      -2.045520      0.622201      3.246471
  C      -2.836566     -0.702546      3.104382
  C      -3.953398     -0.668738      2.084012
  N      -3.913213      0.270057      1.151765
  C      -4.928781      0.317491      0.249058
  N      -5.970918     -0.483392      0.170739
  C      -6.029026     -1.480762      1.104855
  C      -7.123371     -2.380223      1.078502
  C      -7.209495     -3.393829      2.009332
  C      -6.211065     -3.545777      2.999156
  C      -5.136588     -2.679853      3.050460
  C      -5.019229     -1.627774      2.108039
  C      -4.352205      5.396016      5.652153
  C      -3.919378      6.582617      4.752525
  C      -3.966604      6.228387      3.294630
  N      -5.164763      6.295769      2.718913
  C      -5.248312      5.967556      1.404301
  N      -4.263328      5.633777      0.592113
  C      -3.028932      5.526543      1.167294
  C      -1.933610      5.104750      0.373331
  C      -0.689207      4.933740      0.943875
  C      -0.486284      5.183668      2.321400
  C      -1.531641      5.609240      3.115458
  C      -2.822419      5.795653      2.558921
  C      -6.590363      1.637082      5.310611
  C      -6.695904      0.429093      4.359972
  C      -7.896564      0.494356      3.463771
  N      -7.915973      1.520382      2.619327
  C      -8.946279      1.607629      1.746707
  N      -9.953726      0.764653      1.606429
  C      -9.970473     -0.291166      2.475284
  C     -11.025362     -1.233517      2.387307
  C     -11.081242     -2.297483      3.263440
  C     -10.089134     -2.462945      4.258571
  C      -9.043919     -1.568242      4.358230
  C      -8.953070     -0.467429      3.469591
  H      -2.372313      1.305384      2.453250
  H      -0.970406      0.422551      3.078176
  H      -3.255282     -0.980117      4.083848
  H      -2.164579     -1.533483      2.825871
  H      -4.863841      1.123631     -0.487867
  H      -7.885596     -2.235211      0.311873
  H      -8.058875     -4.078613      1.991210
  H      -6.296156     -4.352536      3.729257
  H      -4.373054     -2.807023      3.818845
  H      -5.277495      4.981525      5.219561
  H      -4.620098      5.797476      6.647618
  H      -4.648845      7.390461      4.913577
  H      -2.929036      6.944935      5.058980
  H      -6.258576      5.980174      0.978525
  H      -2.116329      4.903055     -0.682977
  H       0.148900      4.596850      0.330859
  H       0.503530      5.035097      2.756280
  H      -1.373880      5.786294      4.179097
  H      -7.362901      1.559527      6.097892
  H      -6.810856      2.541261      4.725639
  H      -5.811858      0.473667      3.707638
  H      -6.644330     -0.511983      4.921964
  H      -8.919863      2.476751      1.078366
  H     -11.782747     -1.082031      1.616844
  H     -11.899367     -3.016911      3.195666
  H     -10.151111     -3.307706      4.946674
  H      -8.275744     -1.711813      5.118284
  N      -4.420723      2.879715      3.305236
  N      -4.874680      3.047045      2.268139
88
Coordinates from ORCA-job orca E -6140.045329851855
  N      -2.200231      1.279946      4.547214
  Mo     -3.664448      2.525587      5.079974
  N      -5.264830      1.738045      5.915930
  C      -5.180041      1.334076      7.319907
  C      -3.735187      1.006650      7.671184
  N      -2.822166      2.029875      7.093845
  C      -1.454908      1.492978      6.856928
  C      -1.451679      0.620434      5.612995
  C      -2.777093      3.281479      7.899075
  C      -2.467790      4.447260      6.956067
  N      -3.352486      4.347162      5.799945
  H      -0.404252      0.445194      5.299781
  H      -1.867964     -0.382931      5.845902
  H      -0.800860      2.358261      6.683663
  H      -1.087680      0.948006      7.744943
  H      -2.609049      5.404242      7.487568
  H      -1.408333      4.414297      6.645100
  H      -3.773739      3.434276      8.336208
  H      -2.045625      3.183136      8.721665
  H      -5.796693      0.436623      7.516896
  H      -5.574713      2.125366      7.990869
  H      -3.464784      0.045688      7.211440
  H      -3.587735      0.921088      8.762973
  C      -2.052911      0.611497      3.255958
  C      -2.855232     -0.706227      3.109276
  C      -3.960768     -0.663794      2.076723
  N      -3.892672      0.263539      1.134721
  C      -4.896051      0.319078      0.219017
  N      -5.951031     -0.464317      0.136318
  C      -6.038078     -1.450068      1.080498
  C      -7.149222     -2.328564      1.051688
  C      -7.266429     -3.328607      1.993733
  C      -6.281927     -3.488782      2.996071
  C      -5.190957     -2.643776      3.049316
  C      -5.042868     -1.604597      2.097035
  C      -4.347263      5.396620      5.649201
  C      -3.909073      6.579949      4.747020
  C      -3.957365      6.223660      3.289717
  N      -5.156835      6.284779      2.716285
  C      -5.240918      5.957029      1.401610
  N      -4.255553      5.631888      0.586613
  C      -3.019395      5.531987      1.158975
  C      -1.922928      5.120037      0.361520
  C      -0.676192      4.956282      0.928858
  C      -0.471934      5.204417      2.306568
  C      -1.518433      5.620946      3.103946
  C      -2.811801      5.799260      2.550856
  C      -6.592807      1.634298      5.323639
  C      -6.694093      0.422770      4.377596
  C      -7.894375      0.479283      3.480350
  N      -7.917995      1.502427      2.632437
  C      -8.944819      1.578338      1.754622
  N      -9.943225      0.725278      1.610601
  C      -9.954331     -0.328640      2.481646
  C     -10.995293     -1.285610      2.385759
  C     -11.043040     -2.350146      3.261676
  C     -10.058220     -2.500187      4.266415
  C      -9.026317     -1.591126      4.373810
  C      -8.942481     -0.491157      3.483669
  H      -2.369815      1.297152      2.460797
  H      -0.979137      0.401890      3.092086
  H      -3.286131     -0.977476      4.085190
  H      -2.188367     -1.543914      2.838828
  H      -4.807940      1.116140     -0.525308
  H      -7.900144     -2.177154      0.275206
  H      -8.130504     -3.994746      1.975532
  H      -6.391314     -4.284595      3.734871
  H      -4.439256     -2.776398      3.828335
  H      -5.273036      4.983439      5.216200
  H      -4.615388      5.801497      6.643024
  H      -4.634555      7.391629      4.906286
  H      -2.917180      6.938329      5.053231
  H      -6.251990      5.963219      0.978046
  H      -2.106547      4.919629     -0.694848
  H       0.162726      4.626548      0.313135
  H       0.519750      5.061358      2.738947
  H      -1.359402      5.796300      4.167580
  H      -7.365232      1.558138      6.111100
  H      -6.814818      2.535821      4.734891
  H      -5.810364      0.470249      3.725248
  H      -6.637434     -0.516353      4.942326
  H      -8.922390      2.446051      1.084523
  H     -11.747634     -1.145836      1.608197
  H     -11.848510     -3.082820      3.185694
  H     -10.114196     -3.345316      4.954565
  H      -8.262155     -1.723811      5.139886
  N      -4.431275      2.870547      3.312394
  N      -4.891050      3.035491      2.276838
88
Coordinates from ORCA-job orca E -6140.045365372153
  N      -2.208851      1.277491      4.555601
  Mo     -3.671105      2.526625      5.086499
  N      -5.272522      1.743183      5.924891
  C      -5.187570      1.343616      7.329976
  C      -3.743542      1.011351      7.680360
  N      -2.827246      2.030119      7.100550
  C      -1.462111      1.487630      6.864278
  C      -1.461983      0.615054      5.620245
  C      -2.776927      3.282986      7.903484
  C      -2.463400      4.445419      6.958181
  N      -3.350461      4.348181      5.803599
  H      -0.415348      0.436053      5.306602
  H      -1.881753     -0.386915      5.853074
  H      -0.804325      2.350017      6.690921
  H      -1.097550      0.941438      7.752602
  H      -2.598179      5.404294      7.487865
  H      -1.404733      4.405967      6.645310
  H      -3.772768      3.440457      8.340832
  H      -2.045353      3.183266      8.725818
  H      -5.807520      0.449319      7.531029
  H      -5.577767      2.138553      7.999269
  H      -3.477234      0.048739      7.221725
  H      -3.595589      0.927143      8.772193
  C      -2.059601      0.614811      3.261677
  C      -2.858729     -0.704290      3.108057
  C      -3.964086     -0.661314      2.075460
  N      -3.899895      0.270578      1.137650
  C      -4.904509      0.326793      0.223272
  N      -5.957059     -0.459635      0.138298
  C      -6.039717     -1.450139      1.077909
  C      -7.147640     -2.332629      1.046117
  C      -7.258595     -3.339577      1.981644
  C      -6.270974     -3.502522      2.980375
  C      -5.183828     -2.652903      3.037228
  C      -5.042243     -1.606640      2.091790
  C      -4.337856      5.404341      5.651376
  C      -3.890789      6.580935      4.745070
  C      -3.945596      6.222249      3.288581
  N      -5.147615      6.283575      2.720719
  C      -5.237969      5.956178      1.406434
  N      -4.256612      5.631296      0.586635
  C      -3.017604      5.531995      1.152843
  C      -1.924869      5.121607      0.349522
  C      -0.674786      4.960052      0.910005
  C      -0.463464      5.208561      2.286545
  C      -1.506349      5.623014      3.089682
  C      -2.803126      5.799265      2.543776
  C      -6.601042      1.640127      5.333265
  C      -6.702939      0.428064      4.387949
  C      -7.902598      0.483317      3.489484
  N      -7.927683      1.507344      2.642654
  C      -8.951852      1.579899      1.761410
  N      -9.945384      0.722103      1.612224
  C      -9.954634     -0.333131      2.481579
  C     -10.988877     -1.296572      2.378424
  C     -11.033727     -2.363578      3.251432
  C     -10.053315     -2.509102      4.261088
  C      -9.027984     -1.593507      4.375663
  C      -8.946613     -0.491414      3.488005
  H      -2.376492      1.303554      2.469237
  H      -0.985449      0.407271      3.097675
  H      -3.288793     -0.982395      4.082355
  H      -2.188611     -1.537892      2.833123
  H      -4.819876      1.127647     -0.517385
  H      -7.900775     -2.179068      0.272223
  H      -8.120599     -4.008375      1.961779
  H      -6.375417     -4.303650      3.714082
  H      -4.430020     -2.787608      3.813845
  H      -5.267460      4.997337      5.220769
  H      -4.601001      5.814941      6.644105
  H      -4.608623      7.399660      4.903558
  H      -2.895417      6.931639      5.048504
  H      -6.251016      5.962582      0.987678
  H      -2.113785      4.921302     -0.705907
  H       0.161312      4.631845      0.289696
  H       0.530832      5.067367      2.713436
  H      -1.341397      5.798937      4.152295
  H      -7.372751      1.564237      6.121364
  H      -6.823458      2.541485      4.744424
  H      -5.818782      0.474932      3.736110
  H      -6.646824     -0.510964      4.952826
  H      -8.930782      2.448482      1.092484
  H     -11.737892     -1.160190      1.597090
  H     -11.832956     -3.102241      3.168639
  H     -10.107058     -3.356228      4.946921
  H      -8.266652     -1.722842      5.145116
  N      -4.437728      2.870826      3.318540
  N      -4.896946      3.037785      2.283287
88
Coordinates from ORCA-job orca E -6140.045385354844
  N      -2.215463      1.285734      4.563580
  Mo     -3.681907      2.528967      5.096829
  N      -5.278661      1.740144      5.939671
  C      -5.188333      1.345778      7.345761
  C      -3.742898      1.015566      7.692329
  N      -2.829351      2.034562      7.108541
  C      -1.464577      1.492456      6.869647
  C      -1.466490      0.621162      5.624741
  C      -2.777413      3.288802      7.909451
  C      -2.468840      4.450348      6.961819
  N      -3.360229      4.351631      5.810549
  H      -0.420474      0.442560      5.308948
  H      -1.886036     -0.381127      5.856689
  H      -0.807171      2.354909      6.695216
  H      -1.098500      0.946064      7.757136
  H      -2.602084      5.409832      7.490733
  H      -1.411160      4.411368      6.645287
  H      -3.771554      3.445507      8.350856
  H      -2.042124      3.191034      8.728669
  H      -5.807203      0.452090      7.552964
  H      -5.575876      2.142948      8.013956
  H      -3.476888      0.052661      7.234110
  H      -3.591898      0.933215      8.783932
  C      -2.061760      0.634410      3.264780
  C      -2.856071     -0.686336      3.100058
  C      -3.959914     -0.639400      2.066272
  N      -3.894531      0.296738      1.132721
  C      -4.897906      0.356551      0.217189
  N      -5.950570     -0.429323      0.127962
  C      -6.034287     -1.424009      1.063036
  C      -7.141335     -2.307482      1.025249
  C      -7.251180     -3.321098      1.953753
  C      -6.264063     -3.488781      2.952200
  C      -5.178703     -2.637435      3.015794
  C      -5.037683     -1.585173      2.076961
  C      -4.337606      5.415759      5.651276
  C      -3.880018      6.579695      4.734433
  C      -3.938468      6.209991      3.280726
  N      -5.141580      6.270010      2.715008
  C      -5.235840      5.933724      1.403223
  N      -4.257136      5.600898      0.583462
  C      -3.016963      5.503092      1.147424
  C      -1.927175      5.084568      0.344274
  C      -0.675832      4.924908      0.902529
  C      -0.460398      5.182923      2.276637
  C      -1.500440      5.604695      3.079620
  C      -2.798469      5.779650      2.536035
  C      -6.608519      1.632415      5.351581
  C      -6.710182      0.417895      4.409125
  C      -7.906589      0.473132      3.505955
  N      -7.928950      1.498959      2.661312
  C      -8.949021      1.573012      1.775584
  N      -9.941012      0.714543      1.619948
  C      -9.953542     -0.342468      2.487217
  C     -10.986991     -1.306041      2.377514
  C     -11.035668     -2.374528      3.248496
  C     -10.060029     -2.521415      4.262551
  C      -9.035791     -1.605442      4.383870
  C      -8.950343     -0.501903      3.498341
  H      -2.379797      1.328400      2.477400
  H      -0.986757      0.431650      3.100168
  H      -3.285983     -0.973867      4.071586
  H      -2.181978     -1.514703      2.819027
  H      -4.811999      1.160118     -0.520398
  H      -7.893701     -2.150144      0.251372
  H      -8.112225     -3.990950      1.929085
  H      -6.367634     -4.295144      3.680263
  H      -4.425231     -2.776372      3.792021
  H      -5.271647      5.014546      5.225091
  H      -4.594583      5.838016      6.640709
  H      -4.591002      7.405947      4.885721
  H      -2.882033      6.925063      5.034863
  H      -6.250039      5.938815      0.986783
  H      -2.119243      4.877125     -0.709201
  H       0.158017      4.590709      0.282390
  H       0.534882      5.043360      2.701766
  H      -1.331852      5.788398      4.140398
  H      -7.377998      1.556614      6.141808
  H      -6.834623      2.531712      4.761242
  H      -5.823886      0.460731      3.759622
  H      -6.657900     -0.520141      4.975997
  H      -8.925373      2.443477      1.108962
  H     -11.732541     -1.168270      1.593113
  H     -11.834164     -3.113378      3.160510
  H     -10.117115     -3.369392      4.947057
  H      -8.278862     -1.734949      5.157590
  N      -4.455029      2.866870      3.330617
  N      -4.918417      3.032321      2.297523
88
Coordinates from ORCA-job orca E -6140.045392587583
  N      -2.214303      1.278728      4.567207
  Mo     -3.677636      2.526971      5.096590
  N      -5.279040      1.745539      5.937011
  C      -5.193361      1.350785      7.343453
  C      -3.749727      1.016427      7.693621
  N      -2.831488      2.031658      7.110677
  C      -1.467992      1.485177      6.875145
  C      -1.469571      0.613026      5.630767
  C      -2.777283      3.286643      7.910173
  C      -2.461546      4.445938      6.961992
  N      -3.350920      4.349673      5.808858
  H      -0.423297      0.431620      5.317415
  H      -1.892238     -0.387972      5.862544
  H      -0.807484      2.345477      6.701840
  H      -1.105523      0.938184      7.763765
  H      -2.592678      5.406270      7.489927
  H      -1.403371      4.402914      6.647969
  H      -3.772358      3.447686      8.347950
  H      -2.045192      3.187147      8.732043
  H      -5.814895      0.458446      7.548517
  H      -5.581030      2.148671      8.010667
  H      -3.485839      0.052073      7.237199
  H      -3.601185      0.934722      8.785602
  C      -2.062503      0.623431      3.270189
  C      -2.862165     -0.694315      3.107622
  C      -3.963282     -0.645712      2.070988
  N      -3.892852      0.288679      1.135970
  C      -4.894137      0.350055      0.218224
  N      -5.949071     -0.432642      0.128021
  C      -6.037422     -1.426060      1.063957
  C      -7.146603     -2.306836      1.024610
  C      -7.261270     -3.318963      1.954120
  C      -6.276917     -3.487924      2.955093
  C      -5.189516     -2.639349      3.020102
  C      -5.043661     -1.588507      2.080406
  C      -4.329390      5.413307      5.652694
  C      -3.871564      6.580831      4.740764
  C      -3.935431      6.217202      3.285832
  N      -5.140919      6.279682      2.725364
  C      -5.240779      5.949204      1.412593
  N      -4.265661      5.620005      0.587220
  C      -3.023183      5.519702      1.145516
  C      -1.936898      5.105023      0.335697
  C      -0.683197      4.942718      0.887756
  C      -0.461855      5.194080      2.262184
  C      -1.498314      5.612267      3.071649
  C      -2.798611      5.790016      2.534459
  C      -6.607667      1.640441      5.345665
  C      -6.708666      0.423327      4.406660
  C      -7.904244      0.473839      3.502271
  N      -7.926874      1.495727      2.652831
  C      -8.945094      1.562951      1.764330
  N      -9.933673      0.700468      1.609318
  C      -9.945896     -0.352334      2.481570
  C     -10.975536     -1.320095      2.372741
  C     -11.023993     -2.384164      3.249084
  C     -10.051985     -2.522400      4.267851
  C      -9.031090     -1.602529      4.388081
  C      -8.945763     -0.503620      3.496836
  H      -2.376522      1.316891      2.480764
  H      -0.988167      0.415775      3.107346
  H      -3.295575     -0.977096      4.078977
  H      -2.190893     -1.526319      2.830605
  H      -4.804097      1.152010     -0.520628
  H      -7.896783     -2.148460      0.248825
  H      -8.124025     -3.986529      1.928245
  H      -6.384185     -4.293130      3.683888
  H      -4.438229     -2.779271      3.798269
  H      -5.262615      5.012717      5.224089
  H      -4.588210      5.831183      6.643526
  H      -4.579789      7.408312      4.897911
  H      -2.871806      6.921900      5.040200
  H      -6.256653      5.956684      1.000445
  H      -2.133556      4.902510     -0.717883
  H       0.147970      4.611478      0.262461
  H       0.535150      5.052140      2.682434
  H      -1.325103      5.790506      4.132626
  H      -7.379465      1.568574      6.133977
  H      -6.829597      2.538863      4.752411
  H      -5.822046      0.464814      3.757542
  H      -6.655691     -0.512889      4.976450
  H      -8.922811      2.430716      1.094324
  H     -11.718595     -1.188896      1.584861
  H     -11.819648     -3.126164      3.161823
  H     -10.109225     -3.366782      4.956763
  H      -8.276731     -1.725593      5.165359
  N      -4.444372      2.867702      3.328375
  N      -4.903495      3.034553      2.293428
88
Coordinates from ORCA-job orca E -6140.045396548527
  N      -2.213537      1.280076      4.566309
  Mo     -3.678161      2.526283      5.096330
  N      -5.278450      1.743491      5.937257
  C      -5.191856      1.348199      7.343560
  C      -3.747760      1.015481      7.693353
  N      -2.830861      2.031771      7.110069
  C      -1.466883      1.486855      6.873964
  C      -1.467905      0.614839      5.629496
  C      -2.777880      3.286869      7.909458
  C      -2.463995      4.446789      6.961267
  N      -3.353576      4.349425      5.808273
  H      -0.421517      0.434682      5.315819
  H      -1.889604     -0.386557      5.861249
  H      -0.807429      2.347926      6.700433
  H      -1.103379      0.940183      7.762357
  H      -2.596926      5.406644      7.489652
  H      -1.405752      4.405875      6.647245
  H      -3.772995      3.446771      8.347551
  H      -2.045364      3.188329      8.731051
  H      -5.812282      0.455017      7.548302
  H      -5.580441      2.145353      8.011082
  H      -3.482858      0.051310      7.237108
  H      -3.598742      0.934054      8.785288
  C      -2.061803      0.625491      3.268944
  C      -2.861497     -0.692227      3.106355
  C      -3.962087     -0.643580      2.069251
  N      -3.891084      0.290450      1.133856
  C      -4.891907      0.351257      0.215550
  N      -5.946924     -0.431362      0.125321
  C      -6.035644     -1.424504      1.061472
  C      -7.144578     -2.305627      1.021837
  C      -7.259523     -3.317372      1.951717
  C      -6.275858     -3.485474      2.953538
  C      -5.188677     -2.636679      3.018758
  C      -5.042469     -1.586302      2.078575
  C      -4.332198      5.412731      5.651340
  C      -3.874163      6.580557      4.739899
  C      -3.936083      6.215979      3.285091
  N      -5.141229      6.276517      2.723467
  C      -5.239668      5.944826      1.410934
  N      -4.263509      5.615781      0.586706
  C      -3.021469      5.517250      1.146220
  C      -1.934162      5.102655      0.337736
  C      -0.680811      4.941853      0.891031
  C      -0.460877      5.194659      2.265426
  C      -1.498320      5.612910      3.073605
  C      -2.798271      5.789154      2.535124
  C      -6.607129      1.637534      5.346322
  C      -6.708489      0.419666      4.408409
  C      -7.903590      0.470606      3.503481
  N      -7.924599      1.492318      2.653796
  C      -8.942528      1.561062      1.765162
  N      -9.932418      0.700055      1.610295
  C      -9.946739     -0.352228      2.483184
  C     -10.979172     -1.317165      2.375768
  C     -11.030528     -2.379982      3.253448
  C     -10.058114     -2.520299      4.271575
  C      -9.034408     -1.603332      4.390334
  C      -8.946605     -0.505292      3.498252
  H      -2.376134      1.319238      2.479919
  H      -0.987448      0.418203      3.105617
  H      -3.295406     -0.974355      4.077665
  H      -2.190246     -1.524451      2.829905
  H      -4.801425      1.152612     -0.523900
  H      -7.894201     -2.147839      0.245396
  H      -8.121658     -3.985686      1.925045
  H      -6.383340     -4.290452      3.682557
  H      -4.437925     -2.775949      3.797559
  H      -5.264594      5.011576      5.221521
  H      -4.592469      5.830122      6.642024
  H      -4.583187      7.407529      4.896007
  H      -2.874957      6.922302      5.040417
  H      -6.255207      5.950903      0.997838
  H      -2.129808      4.898859     -0.715785
  H       0.151177      4.610649      0.266808
  H       0.535835      5.053779      2.686732
  H      -1.326162      5.792039      4.134623
  H      -7.378926      1.566728      6.134748
  H      -6.828745      2.535369      4.752138
  H      -5.821669      0.459907      3.759476
  H      -6.656295     -0.516195      4.978936
  H      -8.919082      2.428908      1.095244
  H     -11.722465     -1.184414      1.588368
  H     -11.829037     -3.119154      3.167978
  H     -10.117725     -3.363635      4.961560
  H      -8.280347     -1.727624      5.167735
  N      -4.445990      2.866409      3.328482
  N      -4.905685      3.032583      2.293753
88
Coordinates from ORCA-job orca E -6140.045418140518
  N      -2.223442      1.273081      4.573940
  Mo     -3.680411      2.528973      5.101460
  N      -5.284609      1.757370      5.945608
  C      -5.199687      1.365532      7.353053
  C      -3.757552      1.025018      7.703136
  N      -2.834997      2.034055      7.116218
  C      -1.474511      1.479942      6.880679
  C      -1.481605      0.605155      5.637973
  C      -2.773822      3.290673      7.912494
  C      -2.453306      4.446335      6.960853
  N      -3.344826      4.351748      5.808855
  H      -0.436590      0.417921      5.323960
  H      -1.909614     -0.393003      5.872152
  H      -0.809822      2.336447      6.704700
  H      -1.114094      0.932995      7.770135
  H      -2.580154      5.408230      7.486998
  H      -1.395724      4.398279      6.646063
  H      -3.767776      3.458163      8.350399
  H      -2.041650      3.189719      8.734079
  H      -5.825187      0.476459      7.560323
  H      -5.583639      2.166535      8.018585
  H      -3.498807      0.057801      7.249786
  H      -3.608206      0.945910      8.795190
  C      -2.074580      0.617835      3.276432
  C      -2.882794     -0.694463      3.110002
  C      -3.977156     -0.638133      2.066537
  N      -3.894274      0.296048      1.132152
  C      -4.888237      0.362995      0.206877
  N      -5.947309     -0.413322      0.109230
  C      -6.048283     -1.406422      1.044113
  C      -7.163042     -2.279981      0.997407
  C      -7.290856     -3.291051      1.926299
  C      -6.313573     -3.467108      2.933065
  C      -5.221015     -2.625845      3.005208
  C      -5.062715     -1.574964      2.067468
  C      -4.318301      5.419889      5.652092
  C      -3.856409      6.584395      4.738377
  C      -3.922289      6.218061      3.284184
  N      -5.129418      6.276651      2.726213
  C      -5.231800      5.943873      1.414305
  N      -4.258035      5.615696      0.587025
  C      -3.014057      5.519496      1.142446
  C      -1.928969      5.106714      0.330150
  C      -0.673377      4.948275      0.878964
  C      -0.449028      5.201489      2.252591
  C      -1.484246      5.618089      3.064502
  C      -2.786404      5.792167      2.530630
  C      -6.612698      1.651478      5.353823
  C      -6.711781      0.428614      4.422834
  C      -7.906352      0.467370      3.517003
  N      -7.934800      1.485587      2.663389
  C      -8.948953      1.539092      1.769433
  N      -9.925644      0.663880      1.610342
  C      -9.931757     -0.385655      2.486609
  C     -10.946613     -1.368206      2.371679
  C     -10.988042     -2.429930      3.251173
  C     -10.024633     -2.550233      4.280294
  C      -9.017485     -1.616096      4.406205
  C      -8.938105     -0.520366      3.510511
  H      -2.382039      1.314477      2.487297
  H      -1.001317      0.403234      3.115134
  H      -3.323275     -0.974021      4.079098
  H      -2.215489     -1.530775      2.836312
  H      -4.787749      1.163652     -0.532053
  H      -7.907239     -2.115969      0.217068
  H      -8.159433     -3.950968      1.896012
  H      -6.431133     -4.271448      3.661219
  H      -4.475958     -2.770653      3.788502
  H      -5.253283      5.022697      5.224315
  H      -4.574995      5.839739      6.642682
  H      -4.562067      7.414226      4.894582
  H      -2.855368      6.922508      5.036808
  H      -6.248660      5.948710      1.004291
  H      -2.128038      4.902489     -0.722641
  H       0.156986      4.618543      0.251809
  H       0.549365      5.062215      2.670436
  H      -1.308482      5.797310      4.124935
  H      -7.385760      1.585087      6.141370
  H      -6.832078      2.546575      4.754799
  H      -5.825386      0.468623      3.773167
  H      -6.655288     -0.503761      4.998600
  H      -8.933438      2.405488      1.097416
  H     -11.683758     -1.250603      1.576126
  H     -11.770787     -3.184723      3.157942
  H     -10.076963     -3.392579      4.972057
  H      -8.268734     -1.725984      5.190838
  N      -4.447719      2.869572      3.333448
  N      -4.907258      3.036595      2.298840
88
Coordinates from ORCA-job orca E -6140.045426317484
  N      -2.218626      1.277014      4.572122
  Mo     -3.679750      2.527726      5.100436
  N      -5.281759      1.750601      5.943425
  C      -5.196134      1.358519      7.350678
  C      -3.753123      1.021874      7.700915
  N      -2.833138      2.033728      7.114832
  C      -1.471152      1.483479      6.879143
  C      -1.475524      0.609807      5.635701
  C      -2.775423      3.290106      7.911763
  C      -2.458458      4.447232      6.961030
  N      -3.349832      4.351059      5.809138
  H      -0.429897      0.425399      5.322047
  H      -1.901237     -0.389609      5.868695
  H      -0.808714      2.341933      6.704021
  H      -1.109429      0.936781      7.768226
  H      -2.587942      5.408348      7.488010
  H      -1.400718      4.402430      6.646027
  H      -3.769699      3.454483      8.350096
  H      -2.042668      3.190766      8.733033
  H      -5.819397      0.467795      7.557532
  H      -5.582219      2.158424      8.016330
  H      -3.491406      0.055625      7.247228
  H      -3.603915      0.942738      8.792989
  C      -2.067618      0.623772      3.273887
  C      -2.872240     -0.690579      3.106954
  C      -3.968051     -0.636519      2.064985
  N      -3.889488      0.298407      1.131034
  C      -4.885864      0.363602      0.208202
  N      -5.943395     -0.415048      0.112576
  C      -6.040076     -1.408671      1.047357
  C      -7.152606     -2.285113      1.002652
  C      -7.275648     -3.296961      1.931343
  C      -6.296203     -3.470491      2.936409
  C      -5.205679     -2.626453      3.006548
  C      -5.051738     -1.575396      2.068317
  C      -4.324917      5.417616      5.652073
  C      -3.863693      6.582429      4.738441
  C      -3.929065      6.215809      3.284264
  N      -5.135531      6.276312      2.725308
  C      -5.237220      5.943547      1.413393
  N      -4.263145      5.613268      0.587127
  C      -3.019889      5.514918      1.143813
  C      -1.934634      5.099447      0.333019
  C      -0.679893      4.939174      0.883292
  C      -0.456541      5.193270      2.256900
  C      -1.491922      5.612315      3.067314
  C      -2.793212      5.788125      2.531961
  C      -6.609782      1.642462      5.351545
  C      -6.709885      0.419333      4.420638
  C      -7.902870      0.463095      3.512625
  N      -7.924716      1.481132      2.658565
  C      -8.938952      1.541669      1.765188
  N      -9.923134      0.674511      1.608331
  C      -9.936541     -0.374249      2.485431
  C     -10.961980     -1.346252      2.375059
  C     -11.012023     -2.406091      3.256382
  C     -10.045888     -2.535731      4.281852
  C      -9.028739     -1.611887      4.403485
  C      -8.941587     -0.517359      3.507048
  H      -2.377595      1.320254      2.485591
  H      -0.993800      0.412571      3.111905
  H      -3.311168     -0.971688      4.076299
  H      -2.203172     -1.525153      2.832341
  H      -4.789160      1.165156     -0.530249
  H      -7.898696     -2.122959      0.223724
  H      -8.141571     -3.960309      1.901620
  H      -6.410189     -4.275449      3.664443
  H      -4.458653     -2.769520      3.788250
  H      -5.259151      5.019251      5.223692
  H      -4.582584      5.837112      6.642552
  H      -4.569753      7.411981      4.894366
  H      -2.862891      6.921115      5.037034
  H      -6.253665      5.949590      1.002563
  H      -2.132974      4.894734     -0.719815
  H       0.150574      4.607437      0.257333
  H       0.541189      5.052752      2.675916
  H      -1.316943      5.792407      4.127718
  H      -7.382816      1.576461      6.139181
  H      -6.829665      2.537144      4.752073
  H      -5.822041      0.456188      3.772833
  H      -6.657823     -0.513204      4.996674
  H      -8.917058      2.407173      1.092231
  H     -11.700713     -1.221653      1.582055
  H     -11.804224     -3.151594      3.167830
  H     -10.104727     -3.376653      4.974827
  H      -8.278955     -1.728339      5.186236
  N      -4.447918      2.867292      3.332660
  N      -4.907740      3.033742      2.298001
88
Coordinates from ORCA-job orca E -6140.045434514173
  N      -2.225108      1.273139      4.578927
  Mo     -3.681732      2.529768      5.105441
  N      -5.285772      1.758920      5.950897
  C      -5.200981      1.370611      7.359176
  C      -3.759223      1.029162      7.709545
  N      -2.835624      2.035927      7.120451
  C      -1.476059      1.479277      6.885173
  C      -1.484681      0.603838      5.642909
  C      -2.771974      3.293581      7.914902
  C      -2.451225      4.447451      6.961398
  N      -3.344531      4.352890      5.810803
  H      -0.440069      0.414255      5.329060
  H      -1.914937     -0.393286      5.877416
  H      -0.809967      2.334520      6.708265
  H      -1.116532      0.932430      7.775021
  H      -2.575930      5.410266      7.486397
  H      -1.394173      4.397385      6.645058
  H      -3.765143      3.463140      8.353782
  H      -2.038842      3.192850      8.735635
  H      -5.827693      0.482938      7.568825
  H      -5.583590      2.173768      8.022928
  H      -3.501480      0.060725      7.258253
  H      -3.609707      0.952275      8.801742
  C      -2.074645      0.621121      3.280016
  C      -2.883991     -0.689894      3.108922
  C      -3.975365     -0.630574      2.062513
  N      -3.889396      0.305165      1.129971
  C      -4.881319      0.374740      0.202697
  N      -5.941387     -0.399851      0.101917
  C      -6.046039     -1.393783      1.035499
  C      -7.162239     -2.265371      0.985897
  C      -7.293173     -3.277523      1.913168
  C      -6.317628     -3.456808      2.921027
  C      -5.223845     -2.617473      2.996120
  C      -5.062389     -1.565527      2.060122
  C      -4.315507      5.423226      5.653399
  C      -3.850859      6.584118      4.736800
  C      -3.921077      6.215801      3.283255
  N      -5.129167      6.277670      2.727897
  C      -5.235393      5.944384      1.416527
  N      -4.264390      5.612187      0.587423
  C      -3.019502      5.512861      1.140206
  C      -1.937302      5.096051      0.326040
  C      -0.680777      4.935417      0.872131
  C      -0.452628      5.190220      2.244794
  C      -1.484991      5.610309      3.058512
  C      -2.788021      5.786697      2.527509
  C      -6.613397      1.649458      5.358444
  C      -6.712198      0.422475      4.432642
  C      -7.903683      0.459391      3.522414
  N      -7.928879      1.475720      2.666441
  C      -8.939552      1.527627      1.768541
  N      -9.915573      0.652095      1.607399
  C      -9.925338     -0.395411      2.486019
  C     -10.940234     -1.377639      2.369368
  C     -10.986008     -2.436976      3.251507
  C     -10.027136     -2.554939      4.285105
  C      -9.019891     -1.621147      4.412743
  C      -8.935872     -0.527944      3.514387
  H      -2.380332      1.320131      2.492318
  H      -1.001383      0.405907      3.119534
  H      -3.327500     -0.970492      4.076316
  H      -2.216976     -1.526559      2.835685
  H      -4.778358      1.176417     -0.534781
  H      -7.905011     -2.098689      0.204772
  H      -8.163243     -3.935391      1.880957
  H      -6.437843     -4.261964      3.647819
  H      -4.480223     -2.764698      3.780314
  H      -5.252331      5.028338      5.227463
  H      -4.569249      5.845917      6.643523
  H      -4.553370      7.416698      4.892933
  H      -2.848119      6.919308      5.032675
  H      -6.253084      5.951438      1.008792
  H      -2.139335      4.890958     -0.726012
  H       0.147396      4.602872      0.243572
  H       0.546433      5.049410      2.660521
  H      -1.306134      5.790990      4.118171
  H      -7.387189      1.586583      6.145574
  H      -6.832381      2.541862      4.755335
  H      -5.823665      0.457530      3.785533
  H      -6.659393     -0.507523      5.012711
  H      -8.921356      2.392469      1.094653
  H     -11.673962     -1.261702      1.570430
  H     -11.768616     -3.191718      3.156861
  H     -10.083076     -3.395220      4.979086
  H      -8.274879     -1.728973      5.201251
  N      -4.450536      2.868505      3.337766
  N      -4.910927      3.035401      2.303470
88
Coordinates from ORCA-job orca E -6140.045438428476
  N      -2.222796      1.275901      4.575597
  Mo     -3.681493      2.529423      5.103546
  N      -5.283812      1.755415      5.949117
  C      -5.197899      1.365904      7.357010
  C      -3.755312      1.027192      7.706750
  N      -2.833966      2.036230      7.117897
  C      -1.473343      1.482550      6.881720
  C      -1.480692      0.607569      5.639099
  C      -2.772684      3.293621      7.912985
  C      -2.454630      4.448731      6.960065
  N      -3.347930      4.352862      5.809591
  H      -0.435806      0.420092      5.324876
  H      -1.908992     -0.390458      5.873351
  H      -0.809162      2.339300      6.704859
  H      -1.112204      0.936070      7.771157
  H      -2.581277      5.410967      7.485684
  H      -1.397525      4.401092      6.643428
  H      -3.766069      3.460883      8.352262
  H      -2.039082      3.193984      8.733448
  H      -5.822836      0.476847      7.565981
  H      -5.581929      2.167791      8.021490
  H      -3.495619      0.059510      7.254969
  H      -3.605304      0.950080      8.798866
  C      -2.072328      0.624071      3.276542
  C      -2.879768     -0.688180      3.106411
  C      -3.972403     -0.630432      2.061247
  N      -3.889230      0.305583      1.128775
  C      -4.882527      0.373653      0.202840
  N      -5.941241     -0.402904      0.103055
  C      -6.043007     -1.397148      1.036618
  C      -7.157736     -2.270638      0.988327
  C      -7.285953     -3.282792      1.915967
  C      -6.309150     -3.460234      2.922916
  C      -5.216520     -2.619246      2.996511
  C      -5.057851     -1.567243      2.060090
  C      -4.321068      5.421239      5.652201
  C      -3.858349      6.583591      4.736281
  C      -3.925186      6.214749      3.282679
  N      -5.132082      6.275215      2.724623
  C      -5.235105      5.940425      1.413382
  N      -4.261947      5.608021      0.586801
  C      -3.018291      5.509893      1.142547
  C      -1.933991      5.092332      0.331523
  C      -0.678772      4.932625      0.880868
  C      -0.454001      5.189253      2.253764
  C      -1.488463      5.610072      3.064434
  C      -2.790238      5.785403      2.530044
  C      -6.611555      1.645045      5.357159
  C      -6.711174      0.418073      4.431378
  C      -7.902522      0.457955      3.521049
  N      -7.924690      1.474413      2.665153
  C      -8.936093      1.530472      1.768367
  N      -9.916524      0.659497      1.609087
  C      -9.929469     -0.387975      2.487734
  C     -10.949952     -1.364722      2.373789
  C     -10.999183     -2.423777      3.256106
  C     -10.037678     -2.547375      4.286633
  C      -9.025178     -1.618917      4.411719
  C      -8.938269     -0.525590      3.513814
  H      -2.380155      1.322530      2.489165
  H      -0.998870      0.410790      3.114933
  H      -3.322101     -0.968948      4.074303
  H      -2.212063     -1.524220      2.832946
  H      -4.781971      1.175721     -0.534543
  H      -7.901617     -2.105406      0.207937
  H      -8.154471     -3.942695      1.884276
  H      -6.427281     -4.265492      3.649945
  H      -4.471776     -2.765080      3.779877
  H      -5.256738      5.024479      5.225467
  H      -4.576399      5.842736      6.642419
  H      -4.563258      7.414324      4.891256
  H      -2.856905      6.921422      5.033603
  H      -6.251829      5.946545      1.003247
  H      -2.133461      4.885791     -0.720740
  H       0.151001      4.599429      0.254763
  H       0.544084      5.049233      2.672108
  H      -1.312287      5.792132      4.124299
  H      -7.385183      1.582497      6.144503
  H      -6.830703      2.537260      4.753802
  H      -5.822386      0.451982      3.784643
  H      -6.660049     -0.512129      5.011303
  H      -8.915021      2.395181      1.094360
  H     -11.685322     -1.244664      1.576971
  H     -11.786846     -3.173637      3.164211
  H     -10.096112     -3.387526      4.980578
  H      -8.278599     -1.730863      5.198205
  N      -4.451600      2.867868      3.336373
  N      -4.912628      3.034282      2.302224
88
Coordinates from ORCA-job orca E -6140.045466147049
  N      -2.236290      1.272585      4.584877
  Mo     -3.687298      2.535321      5.111829
  N      -5.292389      1.770232      5.961915
  C      -5.206582      1.385871      7.371078
  C      -3.765836      1.039471      7.719810
  N      -2.839432      2.041058      7.126268
  C      -1.482604      1.477481      6.889385
  C      -1.497738      0.600382      5.648193
  C      -2.767766      3.299674      7.918546
  C      -2.444224      4.450279      6.961610
  N      -3.340904      4.357274      5.813377
  H      -0.454912      0.404335      5.332560
  H      -1.933446     -0.393881      5.884969
  H      -0.813092      2.329358      6.709236
  H      -1.124197      0.930527      7.779547
  H      -2.563774      5.414943      7.484374
  H      -1.388271      4.394936      6.642757
  H      -3.758849      3.475290      8.359811
  H      -2.032754      3.196834      8.737269
  H      -5.836903      0.501581      7.584419
  H      -5.584690      2.192282      8.033539
  H      -3.512366      0.068733      7.271046
  H      -3.614573      0.965228      8.811969
  C      -2.087668      0.623609      3.284268
  C      -2.902464     -0.683393      3.107138
  C      -3.988654     -0.616485      2.055723
  N      -3.894126      0.321583      1.126230
  C      -4.880048      0.396445      0.193035
  N      -5.942191     -0.374275      0.084298
  C      -6.056357     -1.369563      1.015241
  C      -7.176677     -2.235557      0.958680
  C      -7.317441     -3.248376      1.883723
  C      -6.346678     -3.435409      2.894806
  C      -5.248893     -2.602024      2.976524
  C      -5.078743     -1.547738      2.044573
  C      -4.304888      5.433750      5.653220
  C      -3.834386      6.588108      4.731706
  C      -3.907056      6.215088      3.279366
  N      -5.115668      6.278255      2.725052
  C      -5.224414      5.940284      1.415173
  N      -4.255387      5.602284      0.586071
  C      -3.010043      5.502332      1.137554
  C      -1.930025      5.079849      0.323456
  C      -0.672880      4.919234      0.868182
  C      -0.442065      5.179290      2.239365
  C      -1.472374      5.604231      3.053180
  C      -2.776003      5.780891      2.523615
  C      -6.619718      1.658319      5.369988
  C      -6.717266      0.425694      4.452017
  C      -7.907574      0.452530      3.540211
  N      -7.939544      1.467125      2.682532
  C      -8.945616      1.506489      1.779031
  N      -9.909048      0.618216      1.611986
  C      -9.911771     -0.428254      2.491944
  C     -10.910506     -1.425701      2.366435
  C     -10.948304     -2.485208      3.248755
  C      -9.998725     -2.586938      4.292527
  C      -9.006462     -1.638443      4.428400
  C      -8.928884     -0.546022      3.528512
  H      -2.389437      1.326608      2.498652
  H      -1.015202      0.404250      3.123981
  H      -3.351104     -0.964468      4.071976
  H      -2.237924     -1.522218      2.834360
  H      -4.769555      1.198652     -0.542794
  H      -7.915295     -2.062823      0.174950
  H      -8.192746     -3.899198      1.848072
  H      -6.474685     -4.241249      3.619486
  H      -4.509570     -2.754716      3.763737
  H      -5.245383      5.044296      5.230430
  H      -4.553377      5.861970      6.642292
  H      -4.534169      7.423571      4.885030
  H      -2.830309      6.920888      5.025616
  H      -6.242408      5.949596      1.008115
  H      -2.134182      4.870963     -0.727438
  H       0.153765      4.582732      0.239711
  H       0.557423      5.038540      2.654102
  H      -1.291339      5.788814      4.111795
  H      -7.394045      1.599909      6.156952
  H      -6.838048      2.547246      4.761641
  H      -5.828540      0.458000      3.804819
  H      -6.662719     -0.500556      5.037967
  H      -8.934908      2.371426      1.105066
  H     -11.637894     -1.321802      1.560090
  H     -11.716744     -3.253256      3.146027
  H     -10.049155     -3.426878      4.987343
  H      -8.267456     -1.734042      5.224152
  N      -4.460790      2.873029      3.346014
  N      -4.925172      3.040216      2.313567
88
Coordinates from ORCA-job orca E -6140.045474946847
  N      -2.242727      1.269505      4.587403
  Mo     -3.688306      2.538814      5.113406
  N      -5.295208      1.779368      5.965874
  C      -5.210462      1.397721      7.375697
  C      -3.770899      1.046985      7.724736
  N      -2.841223      2.043822      7.128193
  C      -1.486850      1.473993      6.891187
  C      -1.506792      0.595241      5.651198
  C      -2.763177      3.303180      7.918757
  C      -2.435849      4.450813      6.959536
  N      -3.334419      4.359719      5.812753
  H      -0.465268      0.393127      5.335193
  H      -1.947573     -0.396377      5.889803
  H      -0.813948      2.322728      6.708882
  H      -1.130290      0.926870      7.781949
  H      -2.550200      5.417216      7.480207
  H      -1.380821      4.389834      6.638817
  H      -3.753017      3.484061      8.360739
  H      -2.027722      3.198196      8.736770
  H      -5.844143      0.516287      7.590888
  H      -5.585475      2.206695      8.036850
  H      -3.520650      0.074147      7.278760
  H      -3.619376      0.975386      8.817037
  C      -2.096208      0.620373      3.286644
  C      -2.915778     -0.683436      3.108066
  C      -3.998447     -0.613441      2.053139
  N      -3.900125      0.325735      1.125179
  C      -4.882802      0.402360      0.188702
  N      -5.945405     -0.367136      0.075781
  C      -6.064302     -1.362557      1.006004
  C      -7.186351     -2.226107      0.946337
  C      -7.332231     -3.238197      1.871354
  C      -6.364222     -3.428028      2.884470
  C      -5.264430     -2.597582      2.968865
  C      -5.089849     -1.543066      2.037946
  C      -4.296977      5.437920      5.654175
  C      -3.824969      6.591341      4.732517
  C      -3.899733      6.219010      3.280065
  N      -5.108527      6.285690      2.726648
  C      -5.218967      5.948810      1.416693
  N      -4.251557      5.607347      0.587017
  C      -3.005996      5.504584      1.137409
  C      -1.927549      5.079775      0.322418
  C      -0.669968      4.917966      0.865751
  C      -0.437146      5.178989      2.236392
  C      -1.465981      5.605603      3.051188
  C      -2.770097      5.783406      2.523113
  C      -6.621581      1.665541      5.372373
  C      -6.718864      0.427260      4.462053
  C      -7.907716      0.448172      3.548124
  N      -7.942765      1.461345      2.688918
  C      -8.945936      1.493633      1.782006
  N      -9.902336      0.598440      1.611558
  C      -9.901688     -0.447044      2.492628
  C     -10.891396     -1.452700      2.362151
  C     -10.925396     -2.511884      3.245031
  C      -9.982142     -2.604001      4.295357
  C      -8.998373     -1.647435      4.435997
  C      -8.923307     -0.556191      3.534482
  H      -2.395387      1.324999      2.501498
  H      -1.024554      0.397123      3.126360
  H      -3.368867     -0.961924      4.071623
  H      -2.253934     -1.525360      2.838332
  H      -4.769114      1.205135     -0.546030
  H      -7.922798     -2.051176      0.161074
  H      -8.210405     -3.885159      1.834779
  H      -6.496420     -4.233434      3.608852
  H      -4.527226     -2.752306      3.757662
  H      -5.239093      5.050992      5.232701
  H      -4.542806      5.866385      6.643800
  H      -4.523766      7.427526      4.886645
  H      -2.820253      6.922953      5.025454
  H      -6.237123      5.960704      1.010276
  H      -2.133261      4.870565     -0.728103
  H       0.155543      4.579937      0.236621
  H       0.562684      5.037524      2.650054
  H      -1.283371      5.790865      4.109394
  H      -7.397527      1.612708      6.158166
  H      -6.837746      2.550998      4.758316
  H      -5.829139      0.455058      3.815899
  H      -6.665366     -0.495360      5.053793
  H      -8.938452      2.357648      1.106921
  H     -11.614445     -1.355868      1.551046
  H     -11.685571     -3.287399      3.137444
  H     -10.030126     -3.443300      4.991115
  H      -8.263513     -1.735807      5.236412
  N      -4.463408      2.877460      3.348461
  N      -4.929445      3.046196      2.316862
88
Coordinates from ORCA-job orca E -6140.045487617132
  N      -2.250596      1.264147      4.584743
  Mo     -3.687271      2.543707      5.109879
  N      -5.297335      1.793058      5.964507
  C      -5.214815      1.412577      7.374659
  C      -3.776983      1.055738      7.724716
  N      -2.842494      2.046437      7.125131
  C      -1.491531      1.468272      6.887817
  C      -1.518040      0.587453      5.649427
  C      -2.756136      3.306173      7.914353
  C      -2.422562      4.450336      6.953067
  N      -3.322747      4.362843      5.807484
  H      -0.478275      0.377181      5.332993
  H      -1.965525     -0.400608      5.890499
  H      -0.814052      2.312781      6.702861
  H      -1.137303      0.920695      7.779201
  H      -2.529695      5.418750      7.471467
  H      -1.368698      4.381504      6.630413
  H      -3.744675      3.493875      8.356507
  H      -2.020962      3.197475      8.732104
  H      -5.852985      0.534552      7.590415
  H      -5.586250      2.223889      8.035001
  H      -3.530849      0.080256      7.282311
  H      -3.625676      0.987251      8.817234
  C      -2.110163      0.611178      3.285302
  C      -2.936855     -0.688555      3.110956
  C      -4.016783     -0.617958      2.053168
  N      -3.917507      0.321993      1.126191
  C      -4.897744      0.397524      0.187024
  N      -5.958680     -0.373709      0.070578
  C      -6.079371     -1.369048      1.000716
  C      -7.200876     -2.233106      0.938865
  C      -7.349295     -3.243773      1.865017
  C      -6.383700     -3.432720      2.880462
  C      -5.283773     -2.602596      2.966354
  C      -5.107420     -1.548532      2.035213
  C      -4.287378      5.440365      5.655051
  C      -3.817339      6.598313      4.738256
  C      -3.890231      6.230979      3.284420
  N      -5.098192      6.299659      2.729509
  C      -5.206876      5.965286      1.418809
  N      -4.238678      5.623640      0.590062
  C      -2.993799      5.519909      1.141729
  C      -1.914390      5.096030      0.327510
  C      -0.657134      4.935102      0.871776
  C      -0.425611      5.195889      2.242688
  C      -1.455590      5.620675      3.056976
  C      -2.759524      5.797418      2.527961
  C      -6.621958      1.677696      5.367819
  C      -6.720185      0.430953      4.469188
  C      -7.907965      0.444740      3.553618
  N      -7.946772      1.455508      2.691774
  C      -8.947462      1.479360      1.781944
  N      -9.897002      0.577161      1.610012
  C      -9.891959     -0.466568      2.493044
  C     -10.871971     -1.481084      2.358946
  C     -10.900618     -2.539626      3.242794
  C      -9.962887     -2.621090      4.298873
  C      -8.988193     -1.655828      4.442918
  C      -8.917141     -0.566080      3.539281
  H      -2.407865      1.315809      2.499592
  H      -1.040055      0.382096      3.123023
  H      -3.394924     -0.959409      4.074453
  H      -2.279784     -1.536312      2.847970
  H      -4.783191      1.200763     -0.547077
  H      -7.935579     -2.058945      0.151819
  H      -8.228643     -3.889215      1.828258
  H      -6.518227     -4.237093      3.605539
  H      -4.548100     -2.756699      3.756687
  H      -5.229806      5.054610      5.233257
  H      -4.532365      5.863845      6.647062
  H      -4.518779      7.431838      4.894854
  H      -2.813807      6.931850      5.033004
  H      -6.224096      5.980397      1.010349
  H      -2.119093      4.887455     -0.723332
  H       0.169282      4.598228      0.243220
  H       0.574085      5.055580      2.657057
  H      -1.274018      5.805663      4.115380
  H      -7.400819      1.634404      6.151402
  H      -6.833355      2.557909      4.744860
  H      -5.829440      0.451181      3.823963
  H      -6.668698     -0.486177      5.069542
  H      -8.944441      2.342054      1.105278
  H     -11.591231     -1.392213      1.543587
  H     -11.651699     -3.323318      3.131035
  H     -10.007145     -3.459552      4.995883
  H      -8.256666     -1.736310      5.247197
  N      -4.463049      2.885816      3.345907
  N      -4.930415      3.057810      2.315250
88
Coordinates from ORCA-job orca E -6140.045494144731
  N      -2.250579      1.265197      4.583685
  Mo     -3.687754      2.543714      5.109541
  N      -5.296643      1.792235      5.965073
  C      -5.213032      1.412045      7.375254
  C      -3.774714      1.056194      7.724739
  N      -2.841034      2.047167      7.124202
  C      -1.490171      1.469407      6.886082
  C      -1.517191      0.588532      5.647743
  C      -2.754849      3.307263      7.912942
  C      -2.422674      4.451460      6.951325
  N      -3.323675      4.363532      5.806391
  H      -0.477473      0.378681      5.330835
  H      -1.964228     -0.399730      5.888815
  H      -0.812961      2.314052      6.700682
  H      -1.135139      0.921977      7.777250
  H      -2.529657      5.419847      7.469803
  H      -1.368998      4.383058      6.627845
  H      -3.743190      3.494209      8.355848
  H      -2.018975      3.199253      8.730177
  H      -5.850529      0.533749      7.591769
  H      -5.584398      2.223453      8.035489
  H      -3.528283      0.080587      7.282786
  H      -3.622851      0.988437      8.817219
  C      -2.110723      0.612688      3.283948
  C      -2.937029     -0.687343      3.110336
  C      -4.016680     -0.617808      2.052204
  N      -3.918264      0.322195      1.125235
  C      -4.898850      0.397092      0.186338
  N      -5.959242     -0.374916      0.070081
  C      -6.078783     -1.370573      1.000045
  C      -7.199265     -2.235928      0.937994
  C      -7.346253     -3.247289      1.863642
  C      -6.380638     -3.435081      2.879284
  C      -5.281839     -2.603486      2.965512
  C      -5.106585     -1.549270      2.034391
  C      -4.289154      5.440319      5.654987
  C      -3.820173      6.598700      4.738133
  C      -3.891781      6.230354      3.284509
  N      -5.099502      6.297003      2.728870
  C      -5.207006      5.961442      1.418347
  N      -4.237906      5.620036      0.590543
  C      -2.993200      5.518375      1.143026
  C      -1.912749      5.095148      0.329813
  C      -0.655592      4.936390      0.874925
  C      -0.425191      5.198790      2.245738
  C      -1.456208      5.622999      3.059003
  C      -2.760070      5.797522      2.529093
  C      -6.621345      1.675272      5.368756
  C      -6.720215      0.426737      4.472557
  C      -7.906517      0.441844      3.554897
  N      -7.941980      1.452562      2.692838
  C      -8.941704      1.478881      1.782013
  N      -9.893759      0.579388      1.609730
  C      -9.892164     -0.464214      2.492928
  C     -10.875727     -1.475372      2.359150
  C     -10.908060     -2.533586      3.243249
  C      -9.970178     -2.618423      4.298944
  C      -8.992283     -1.656379      4.442882
  C      -8.917982     -0.566652      3.539482
  H      -2.409535      1.317317      2.498666
  H      -1.040643      0.384237      3.120594
  H      -3.395801     -0.957030      4.073865
  H      -2.279917     -1.535502      2.848804
  H      -4.785116      1.200626     -0.547567
  H      -7.934018     -2.062659      0.150793
  H      -8.224246     -3.894518      1.826180
  H      -6.514139     -4.239876      3.604089
  H      -4.546083     -2.756783      3.755929
  H      -5.231301      5.053748      5.233341
  H      -4.534291      5.863379      6.647154
  H      -4.522427      7.431716      4.893837
  H      -2.817188      6.933386      5.033441
  H      -6.224098      5.974335      1.009450
  H      -2.116577      4.885325     -0.720952
  H       0.171610      4.599976      0.247157
  H       0.574480      5.060275      2.660771
  H      -1.275427      5.809372      4.117312
  H      -7.400189      1.633939      6.152481
  H      -6.832546      2.554058      4.743814
  H      -5.828335      0.443861      3.828828
  H      -6.671610     -0.489439      5.074612
  H      -8.935420      2.341343      1.105022
  H     -11.594866     -1.384033      1.543955
  H     -11.662149     -3.314440      3.131846
  H     -10.017144     -3.456737      4.995952
  H      -8.261087     -1.739266      5.247212
  N      -4.464464      2.884690      3.345773
  N      -4.932282      3.056474      2.315340
88
Coordinates from ORCA-job orca E -6140.045506964060
  N      -2.253900      1.265603      4.576890
  Mo     -3.687290      2.546763      5.104919
  N      -5.294649      1.797795      5.963541
  C      -5.209151      1.417616      7.373646
  C      -3.770324      1.061520      7.722006
  N      -2.836455      2.050540      7.117960
  C      -1.487583      1.469978      6.877071
  C      -1.519369      0.588080      5.639577
  C      -2.746973      3.311521      7.905178
  C      -2.415253      4.454501      6.942111
  N      -3.318789      4.367694      5.799070
  H      -0.480608      0.375988      5.320882
  H      -1.967847     -0.399251      5.881776
  H      -0.808939      2.312989      6.689267
  H      -1.131114      0.922623      7.767752
  H      -2.518377      5.423508      7.460181
  H      -1.362542      4.383581      6.615920
  H      -3.734269      3.499295      8.350104
  H      -2.009589      3.203338      8.721099
  H      -5.846638      0.539792      7.591710
  H      -5.578897      2.229812      8.033740
  H      -3.525091      0.084501      7.282568
  H      -3.617195      0.996725      8.814464
  C      -2.120912      0.610229      3.277851
  C      -2.951069     -0.688153      3.111751
  C      -4.028676     -0.622757      2.051160
  N      -3.933058      0.317432      1.124299
  C      -4.914073      0.389598      0.185473
  N      -5.971916     -0.385800      0.068869
  C      -6.087933     -1.382383      0.998388
  C      -7.204714     -2.252362      0.935146
  C      -7.347837     -3.265077      1.859981
  C      -6.382789     -3.448534      2.876941
  C      -5.287681     -2.612167      2.964428
  C      -5.115714     -1.557717      2.033126
  C      -4.289352      5.440768      5.655329
  C      -3.827037      6.604858      4.742187
  C      -3.892333      6.237112      3.288177
  N      -5.098452      6.298145      2.728528
  C      -5.200159      5.960503      1.417958
  N      -4.226901      5.621535      0.594038
  C      -2.983502      5.526080      1.150704
  C      -1.898437      5.106566      0.341628
  C      -0.642289      4.954631      0.890969
  C      -0.417501      5.220342      2.262131
  C      -1.453206      5.640799      3.071344
  C      -2.756179      5.808266      2.537008
  C      -6.618481      1.675230      5.366458
  C      -6.719507      0.416857      4.483960
  C      -7.900546      0.431561      3.558939
  N      -7.927337      1.440047      2.693960
  C      -8.922783      1.468998      1.778543
  N      -9.879740      0.574780      1.605745
  C      -9.886727     -0.466752      2.491353
  C     -10.876908     -1.471611      2.358120
  C     -10.917892     -2.527769      3.244275
  C      -9.981565     -2.617495      4.300971
  C      -8.997933     -1.661314      4.445068
  C      -8.915870     -0.572964      3.540660
  H      -2.422507      1.313799      2.492732
  H      -1.052086      0.379550      3.109501
  H      -3.414863     -0.947435      4.075961
  H      -2.297401     -1.541918      2.860251
  H      -4.802898      1.194094     -0.547764
  H      -7.939236     -2.082500      0.146985
  H      -8.221837     -3.917490      1.820619
  H      -6.513643     -4.254020      3.601470
  H      -4.552120     -2.762256      3.755669
  H      -5.230214      5.051252      5.233531
  H      -4.535266      5.858357      6.649683
  H      -4.534863      7.433291      4.897158
  H      -2.827094      6.945682      5.040851
  H      -6.216032      5.968291      1.005794
  H      -2.097876      4.894308     -0.709501
  H       0.188502      4.621159      0.266364
  H       0.581599      5.087612      2.680422
  H      -1.276656      5.830061      4.129866
  H      -7.398921      1.644959      6.149194
  H      -6.826262      2.546749      4.730683
  H      -5.823656      0.420952      3.845483
  H      -6.680454     -0.493287      5.095793
  H      -8.908295      2.329389      1.098914
  H     -11.594352     -1.376786      1.541821
  H     -11.677591     -3.303281      3.133377
  H     -10.034891     -3.454447      4.999157
  H      -8.268824     -1.747625      5.250917
  N      -4.466584      2.886207      3.342062
  N      -4.936232      3.058846      2.312724
88
Coordinates from ORCA-job orca E -6140.045509695707
  N      -2.257443      1.268619      4.579790
  Mo     -3.691212      2.548950      5.108929
  N      -5.297228      1.798559      5.969446
  C      -5.209544      1.419388      7.379639
  C      -3.770248      1.063680      7.726198
  N      -2.837314      2.052816      7.120964
  C      -1.488645      1.472083      6.878767
  C      -1.521879      0.590466      5.641133
  C      -2.746659      3.313880      7.907936
  C      -2.416325      4.456800      6.944235
  N      -3.321153      4.369588      5.802231
  H      -0.483589      0.378198      5.321100
  H      -1.970382     -0.396820      5.883532
  H      -0.810092      2.314966      6.690141
  H      -1.131438      0.924692      7.769083
  H      -2.519265      5.425901      7.462136
  H      -1.363893      4.386229      6.617095
  H      -3.733197      3.501743      8.354510
  H      -2.007885      3.205752      8.722568
  H      -5.846623      0.541654      7.599457
  H      -5.578289      2.231904      8.039911
  H      -3.525347      0.086733      7.286399
  H      -3.615831      0.998976      8.818488
  C      -2.124027      0.616228      3.279408
  C      -2.954184     -0.681823      3.110002
  C      -4.029992     -0.614533      2.047754
  N      -3.931248      0.325756      1.121245
  C      -4.910193      0.399171      0.180376
  N      -5.969047     -0.374547      0.061915
  C      -6.088292     -1.371105      0.991025
  C      -7.206213     -2.239517      0.925529
  C      -7.351977     -3.252876      1.849269
  C      -6.388517     -3.438412      2.867375
  C      -5.292640     -2.603368      2.957317
  C      -5.118031     -1.548218      2.027284
  C      -4.287505      5.445969      5.655211
  C      -3.821680      6.605466      4.738225
  C      -3.888282      6.233606      3.285290
  N      -5.094615      6.295599      2.726047
  C      -5.197906      5.954497      1.416491
  N      -4.225932      5.611254      0.592918
  C      -2.982287      5.515213      1.148965
  C      -1.898667      5.091672      0.340111
  C      -0.642221      4.939358      0.888749
  C      -0.415782      5.208515      2.258911
  C      -1.450095      5.632696      3.067961
  C      -2.753357      5.800743      2.534408
  C      -6.621552      1.674868      5.373998
  C      -6.722095      0.416107      4.492005
  C      -7.902668      0.429093      3.566410
  N      -7.931201      1.438550      2.702692
  C      -8.925060      1.465728      1.785590
  N      -9.878635      0.568511      1.609761
  C      -9.883929     -0.474238      2.494014
  C     -10.869928     -1.482643      2.356858
  C     -10.908819     -2.540446      3.241131
  C      -9.974770     -2.628132      4.299988
  C      -8.995184     -1.668397      4.447935
  C      -8.914949     -0.578438      3.545283
  H      -2.425014      1.321624      2.495734
  H      -1.055165      0.385701      3.110927
  H      -3.419324     -0.942793      4.073085
  H      -2.299981     -1.534975      2.857766
  H      -4.796219      1.203202     -0.552951
  H      -7.939248     -2.068053      0.136349
  H      -8.226988     -3.903846      1.808387
  H      -6.521419     -4.244366      3.591000
  H      -4.558538     -2.755018      3.749632
  H      -5.229990      5.058807      5.234919
  H      -4.531158      5.868008      6.648242
  H      -4.527634      7.435998      4.890740
  H      -2.820920      6.944899      5.035660
  H      -6.214138      5.962872      1.005019
  H      -2.099351      4.876923     -0.710265
  H       0.187494      4.602933      0.264302
  H       0.583521      5.075489      2.676611
  H      -1.272154      5.824685      4.125759
  H      -7.401114      1.643993      6.157575
  H      -6.830737      2.545980      4.738231
  H      -5.826180      0.420425      3.853536
  H      -6.682561     -0.493902      5.104028
  H      -8.912068      2.327215      1.107230
  H     -11.585762     -1.389276      1.538986
  H     -11.664921     -3.318969      3.126937
  H     -10.026554     -3.466344      4.996764
  H      -8.267638     -1.753043      5.255368
  N      -4.473654      2.886382      3.346943
  N      -4.946028      3.058295      2.318959
88
Coordinates from ORCA-job orca E -6140.045547739544
  N      -2.269023      1.284344      4.580922
  Mo     -3.704683      2.560534      5.116746
  N      -5.305329      1.799858      5.982101
  C      -5.209471      1.419197      7.390984
  C      -3.767904      1.067167      7.730092
  N      -2.840768      2.061146      7.124230
  C      -1.490721      1.484256      6.876046
  C      -1.527261      0.605395      5.636805
  C      -2.748013      3.319536      7.915150
  C      -2.423739      4.465714      6.952790
  N      -3.330918      4.377099      5.813006
  H      -0.490688      0.394393      5.310757
  H      -1.973609     -0.382824      5.879871
  H      -0.815558      2.329245      6.685067
  H      -1.129133      0.936608      7.764224
  H      -2.530033      5.433801      7.471779
  H      -1.371592      4.400004      6.623855
  H      -3.732130      3.505455      8.367895
  H      -2.004358      3.209415      8.724878
  H      -5.843333      0.539502      7.613220
  H      -5.577059      2.229001      8.055404
  H      -3.521045      0.092822      7.285622
  H      -3.609012      0.999466      8.821583
  C      -2.136568      0.639713      3.277109
  C      -2.965212     -0.658759      3.101347
  C      -4.036814     -0.590072      2.035292
  N      -3.931844      0.348836      1.107782
  C      -4.905452      0.421275      0.161419
  N      -5.966351     -0.349237      0.041025
  C      -6.093622     -1.342303      0.972764
  C      -7.215170     -2.206117      0.906038
  C      -7.367642     -3.217226      1.831213
  C      -6.406675     -3.405534      2.851124
  C      -5.307576     -2.575088      2.942443
  C      -5.126966     -1.521018      2.012179
  C      -4.283157      5.464192      5.652828
  C      -3.804643      6.610242      4.726287
  C      -3.869969      6.227089      3.276196
  N      -5.073364      6.300267      2.711571
  C      -5.176690      5.948756      1.404753
  N      -4.206903      5.584453      0.588002
  C      -2.965882      5.480096      1.148551
  C      -1.885095      5.037582      0.346377
  C      -0.630925      4.879773      0.899009
  C      -0.404371      5.161551      2.266365
  C      -1.436311      5.602538      3.069453
  C      -2.737336      5.776412      2.532042
  C      -6.631710      1.676507      5.392777
  C      -6.733590      0.419992      4.507778
  C      -7.918746      0.427888      3.588327
  N      -7.964338      1.444924      2.734501
  C      -8.958968      1.465513      1.818387
  N      -9.897027      0.554011      1.633346
  C      -9.885112     -0.497407      2.507374
  C     -10.850373     -1.523416      2.356016
  C     -10.869682     -2.592227      3.227566
  C      -9.938504     -2.671847      4.289434
  C      -8.978792     -1.694524      4.450960
  C      -8.915796     -0.594508      3.559127
  H      -2.438546      1.349426      2.497827
  H      -1.067737      0.410602      3.106045
  H      -3.433036     -0.923765      4.061948
  H      -2.308412     -1.509531      2.847754
  H      -4.784861      1.221368     -0.575200
  H      -7.945523     -2.032665      0.114872
  H      -8.247317     -3.862201      1.791705
  H      -6.545021     -4.209466      3.575924
  H      -4.576022     -2.728712      3.736732
  H      -5.230516      5.085929      5.235466
  H      -4.520894      5.899790      6.641448
  H      -4.508609      7.444188      4.869614
  H      -2.803410      6.948701      5.023238
  H      -6.191595      5.965984      0.989907
  H      -2.085694      4.814431     -0.702223
  H       0.196872      4.529674      0.279580
  H       0.593135      5.024565      2.687021
  H      -1.258304      5.804246      4.125406
  H      -7.407418      1.640792      6.179978
  H      -6.846064      2.549166      4.761110
  H      -5.841479      0.429266      3.863724
  H      -6.687294     -0.491845      5.116576
  H      -8.960002      2.333383      1.147973
  H     -11.564740     -1.435782      1.536269
  H     -11.606637     -3.386635      3.099904
  H      -9.975269     -3.518639      4.976684
  H      -8.251214     -1.773221      5.258927
  N      -4.501786      2.893732      3.359916
  N      -4.988455      3.063266      2.338700
88
Coordinates from ORCA-job orca E -6140.045564584531
  N      -2.264765      1.285412      4.582084
  Mo     -3.703104      2.557435      5.118644
  N      -5.302092      1.796433      5.984721
  C      -5.205937      1.418158      7.394374
  C      -3.763774      1.068145      7.734051
  N      -2.837637      2.061893      7.125874
  C      -1.487521      1.486164      6.877356
  C      -1.523096      0.606578      5.638333
  C      -2.746458      3.321968      7.914374
  C      -2.424911      4.467444      6.950566
  N      -3.333359      4.377085      5.811635
  H      -0.485925      0.396923      5.313182
  H      -1.968643     -0.382057      5.880999
  H      -0.813140      2.331798      6.686122
  H      -1.124962      0.939275      7.765715
  H      -2.532051      5.435530      7.469512
  H      -1.372793      4.403039      6.620799
  H      -3.730598      3.506542      8.367534
  H      -2.002023      3.214628      8.723877
  H      -5.838768      0.538234      7.618119
  H      -5.574388      2.229157      8.056823
  H      -3.516214      0.092920      7.291912
  H      -3.604449      1.002916      8.825619
  C      -2.131301      0.641804      3.277502
  C      -2.959211     -0.656875      3.100289
  C      -4.030222     -0.586871      2.033563
  N      -3.926217      0.354771      1.108859
  C      -4.901240      0.430761      0.164142
  N      -5.962185     -0.339581      0.042054
  C      -6.087381     -1.336568      0.969863
  C      -7.208023     -2.201338      0.900590
  C      -7.358432     -3.216516      1.821567
  C      -6.396793     -3.407601      2.840424
  C      -5.298722     -2.576007      2.934393
  C      -5.119847     -1.518440      2.007833
  C      -4.288212      5.461923      5.653091
  C      -3.812109      6.607867      4.724556
  C      -3.878955      6.222084      3.275255
  N      -5.083441      6.289862      2.712625
  C      -5.187594      5.934848      1.406801
  N      -4.217515      5.572670      0.589164
  C      -2.975620      5.472459      1.148447
  C      -1.894575      5.030004      0.346361
  C      -0.639916      4.874807      0.898422
  C      -0.412906      5.159478      2.265270
  C      -1.444982      5.600907      3.067956
  C      -2.746393      5.772040      2.530920
  C      -6.628646      1.669802      5.395529
  C      -6.731413      0.409395      4.516192
  C      -7.911338      0.420776      3.589647
  N      -7.944781      1.434949      2.731730
  C      -8.934938      1.459928      1.810729
  N      -9.880350      0.555959      1.625646
  C      -9.881071     -0.491739      2.504129
  C     -10.857203     -1.508026      2.355720
  C     -10.890690     -2.571820      3.232970
  C      -9.961669     -2.657364      4.296383
  C      -8.991613     -1.689814      4.455231
  C      -8.915982     -0.594030      3.559232
  H      -2.433999      1.351903      2.498788
  H      -1.062216      0.414313      3.106227
  H      -3.428123     -0.921616      4.060462
  H      -2.302571     -1.507996      2.847532
  H      -4.782007      1.234101     -0.569147
  H      -7.939042     -2.025681      0.110468
  H      -8.236182     -3.863847      1.778652
  H      -6.533463     -4.214857      3.561882
  H      -4.566580     -2.731736      3.727737
  H      -5.235167      5.080939      5.237276
  H      -4.526070      5.897173      6.641844
  H      -4.515304      7.442540      4.867154
  H      -2.810514      6.946326      5.020290
  H      -6.203024      5.948121      0.993329
  H      -2.095672      4.804115     -0.701589
  H       0.187909      4.524379      0.279183
  H       0.584994      5.024455      2.685694
  H      -1.266631      5.804902      4.123470
  H      -7.404858      1.639008      6.182457
  H      -6.841883      2.539395      4.759183
  H      -5.835711      0.410845      3.877260
  H      -6.693078     -0.499842      5.129489
  H      -8.925758      2.325455      1.137361
  H     -11.569402     -1.416193      1.534508
  H     -11.637895     -3.357289      3.109107
  H     -10.009415     -3.500276      4.987757
  H      -8.267231     -1.772590      5.265721
  N      -4.498801      2.887888      3.361265
  N      -4.982616      3.055446      2.337945
88
Coordinates from ORCA-job orca E -6140.045579579212
  N      -2.255376      1.291227      4.579833
  Mo     -3.700733      2.554214      5.118752
  N      -5.296096      1.785673      5.983403
  C      -5.198403      1.405490      7.392550
  C      -3.754379      1.061784      7.731460
  N      -2.833070      2.061150      7.125096
  C      -1.480013      1.493431      6.875824
  C      -1.510303      0.615141      5.635707
  C      -2.749599      3.320815      7.915007
  C      -2.434265      4.469671      6.953483
  N      -3.341363      4.375982      5.813712
  H      -0.471632      0.412337      5.310920
  H      -1.949992     -0.376423      5.876839
  H      -0.810199      2.343120      6.686450
  H      -1.114447      0.947164      7.763419
  H      -2.547758      5.435819      7.474762
  H      -1.381288      4.412318      6.624748
  H      -3.735016      3.498700      8.368002
  H      -2.004911      3.216954      8.724809
  H      -5.826721      0.522018      7.614806
  H      -5.570840      2.213932      8.055856
  H      -3.502653      0.088630      7.287113
  H      -3.594591      0.994832      8.822839
  C      -2.119731      0.647188      3.275431
  C      -2.943018     -0.654553      3.099880
  C      -4.016640     -0.588195      2.035592
  N      -3.916689      0.352478      1.109552
  C      -4.895220      0.427123      0.168379
  N      -5.955663     -0.344600      0.050203
  C      -6.075577     -1.341951      0.978367
  C      -7.194221     -2.209435      0.912178
  C      -7.339311     -3.225296      1.833234
  C      -6.374548     -3.414069      2.849610
  C      -5.278392     -2.579535      2.940678
  C      -5.104617     -1.521742      2.013464
  C      -4.299089      5.457759      5.652931
  C      -3.824517      6.603714      4.722943
  C      -3.892061      6.216434      3.274103
  N      -5.096411      6.284740      2.711511
  C      -5.200672      5.928937      1.405844
  N      -4.230615      5.565747      0.588529
  C      -2.989152      5.463420      1.148415
  C      -1.908581      5.017645      0.347442
  C      -0.654928      4.858910      0.900679
  C      -0.428249      5.143739      2.267641
  C      -1.459729      5.589024      3.068984
  C      -2.760068      5.763536      2.530632
  C      -6.624038      1.659544      5.396340
  C      -6.728237      0.403953      4.510190
  C      -7.908109      0.425108      3.583455
  N      -7.934977      1.442460      2.728983
  C      -8.926565      1.478176      1.809726
  N      -9.880832      0.583473      1.624752
  C      -9.888518     -0.466660      2.500236
  C     -10.876094     -1.472282      2.353788
  C     -10.917141     -2.537732      3.228728
  C      -9.983296     -2.636732      4.286833
  C      -9.002514     -1.679719      4.443902
  C      -8.920608     -0.581657      3.551321
  H      -2.425446      1.355367      2.496101
  H      -1.049842      0.423905      3.104093
  H      -3.409129     -0.920301      4.061156
  H      -2.283977     -1.503525      2.846244
  H      -4.779777      1.230769     -0.565161
  H      -7.927944     -2.035645      0.124133
  H      -8.214352     -3.876217      1.791500
  H      -6.506689     -4.222052      3.571113
  H      -4.543631     -2.733472      3.731936
  H      -5.244352      5.073049      5.236667
  H      -4.539593      5.893573      6.640761
  H      -4.526653      7.439288      4.865082
  H      -2.822519      6.941392      5.018195
  H      -6.216067      5.942496      0.992447
  H      -2.109454      4.791327     -0.700472
  H       0.172265      4.505422      0.282341
  H       0.568819      5.005726      2.689069
  H      -1.281854      5.793004      4.124557
  H      -7.398269      1.624324      6.184987
  H      -6.839837      2.532103      4.764726
  H      -5.832213      0.407102      3.871842
  H      -6.692394     -0.508653      5.118596
  H      -8.910606      2.345395      1.138653
  H     -11.591468     -1.370437      1.536509
  H     -11.675033     -3.313474      3.107835
  H     -10.036743     -3.481088      4.976038
  H      -8.275465     -1.772651      5.250913
  N      -4.495949      2.882771      3.360863
  N      -4.977954      3.047082      2.336027
88
Coordinates from ORCA-job orca E -6140.045615002654
  N      -2.270985      1.281362      4.573252
  Mo     -3.700093      2.563582      5.109646
  N      -5.303331      1.810443      5.974477
  C      -5.210686      1.429764      7.383624
  C      -3.770490      1.073514      7.725396
  N      -2.838818      2.062277      7.117230
  C      -1.491914      1.478878      6.868558
  C      -1.533002      0.599099      5.630001
  C      -2.740067      3.321208      7.906757
  C      -2.410309      4.464722      6.943359
  N      -3.318583      4.380482      5.804026
  H      -0.497375      0.382118      5.304724
  H      -1.984941     -0.386475      5.873514
  H      -0.813015      2.320680      6.676453
  H      -1.132061      0.930370      7.756995
  H      -2.510832      5.433797      7.461740
  H      -1.358840      4.392986      6.613429
  H      -3.723456      3.511917      8.359138
  H      -1.997152      3.208318      8.716888
  H      -5.847573      0.552191      7.605094
  H      -5.576954      2.241182      8.046750
  H      -3.526181      0.096502      7.285443
  H      -3.612856      1.009490      8.817258
  C      -2.147594      0.630836      3.271260
  C      -2.983390     -0.664077      3.105671
  C      -4.053361     -0.598842      2.037580
  N      -3.953668      0.342366      1.112099
  C      -4.929064      0.412772      0.167199
  N      -5.986206     -0.362744      0.045621
  C      -6.107016     -1.359257      0.974617
  C      -7.223483     -2.229415      0.906279
  C      -7.369657     -3.243521      1.829150
  C      -6.407854     -3.428135      2.848955
  C      -5.313417     -2.591642      2.941653
  C      -5.138984     -1.535177      2.013051
  C      -4.277200      5.463631      5.655359
  C      -3.804467      6.618763      4.736792
  C      -3.866841      6.242417      3.284833
  N      -5.069720      6.313084      2.719134
  C      -5.169911      5.964894      1.411151
  N      -4.197801      5.604892      0.595017
  C      -2.957271      5.503053      1.157044
  C      -1.873731      5.065307      0.355751
  C      -0.619855      4.911059      0.909813
  C      -0.396153      5.191897      2.277995
  C      -1.430906      5.627889      3.080170
  C      -2.731697      5.797754      2.541124
  C      -6.627419      1.682534      5.380516
  C      -6.732566      0.412054      4.515871
  C      -7.910957      0.416295      3.587056
  N      -7.945990      1.426297      2.724325
  C      -8.934314      1.443497      1.801163
  N      -9.876036      0.535360      1.618009
  C      -9.874734     -0.508560      2.500832
  C     -10.846171     -1.529504      2.353943
  C     -10.877476     -2.589933      3.235267
  C      -9.951280     -2.667010      4.301744
  C      -8.985593     -1.694872      4.459083
  C      -8.911672     -0.602607      3.558583
  H      -2.451300      1.338828      2.491085
  H      -1.080684      0.396888      3.095079
  H      -3.456907     -0.915125      4.067477
  H      -2.332633     -1.522957      2.864286
  H      -4.813523      1.216069     -0.566724
  H      -7.954903     -2.058831      0.115438
  H      -8.244606     -3.894706      1.787464
  H      -6.541590     -4.234425      3.572031
  H      -4.580684     -2.742581      3.735383
  H      -5.223451      5.083783      5.236911
  H      -4.516234      5.889395      6.648025
  H      -4.512378      7.448697      4.883834
  H      -2.805340      6.960381      5.037152
  H      -6.183937      5.981360      0.994589
  H      -2.072212      4.842906     -0.693437
  H       0.210067      4.564677      0.291115
  H       0.601316      5.058218      2.699844
  H      -1.255171      5.828866      4.136654
  H      -7.407404      1.664209      6.164223
  H      -6.833829      2.545446      4.733290
  H      -5.835408      0.402450      3.878822
  H      -6.698676     -0.490144      5.139721
  H      -8.927179      2.305725      1.123732
  H     -11.556301     -1.444135      1.530259
  H     -11.619979     -3.379856      3.111478
  H      -9.997387     -3.507195      4.996524
  H      -8.262992     -1.771289      5.271746
  N      -4.493908      2.900278      3.352789
  N      -4.978202      3.072809      2.330359
88
Coordinates from ORCA-job orca E -6140.045621962153
  N      -2.268508      1.288431      4.573067
  Mo     -3.701822      2.564203      5.112948
  N      -5.301455      1.805380      5.978837
  C      -5.205671      1.424351      7.387756
  C      -3.763875      1.072235      7.727233
  N      -2.836097      2.064452      7.118657
  C      -1.487718      1.485702      6.867562
  C      -1.527500      0.606861      5.628210
  C      -2.740484      3.323178      7.908840
  C      -2.416102      4.468849      6.946246
  N      -3.325045      4.382348      5.807496
  H      -0.491501      0.393588      5.301663
  H      -1.976222     -0.380308      5.871102
  H      -0.811863      2.329964      6.675417
  H      -1.124857      0.937613      7.755068
  H      -2.520734      5.436668      7.466228
  H      -1.364284      4.402157      6.616031
  H      -3.723705      3.510061      8.363107
  H      -1.995734      3.212324      8.717611
  H      -5.839444      0.544721      7.609902
  H      -5.573493      2.234540      8.051519
  H      -3.517356      0.096365      7.285970
  H      -3.604520      1.007516      8.818806
  C      -2.145289      0.639453      3.270077
  C      -2.979589     -0.656371      3.104029
  C      -4.048358     -0.591986      2.034694
  N      -3.948666      0.349659      1.109679
  C      -4.924625      0.421217      0.165439
  N      -5.982375     -0.353580      0.044050
  C      -6.102562     -1.351142      0.971988
  C      -7.219126     -2.221155      0.903394
  C      -7.364585     -3.236503      1.824965
  C      -6.402022     -3.422484      2.843888
  C      -5.307634     -2.585940      2.937002
  C      -5.133904     -1.528337      2.009574
  C      -4.281909      5.466337      5.655111
  C      -3.807546      6.617556      4.732076
  C      -3.870746      6.235915      3.281542
  N      -5.073705      6.305296      2.715935
  C      -5.174527      5.951854      1.409373
  N      -4.202759      5.588438      0.594276
  C      -2.962324      5.487181      1.156598
  C      -1.879480      5.044250      0.357157
  C      -0.626016      4.889592      0.912004
  C      -0.401995      5.175249      2.279183
  C      -1.436057      5.616423      3.079441
  C      -2.736347      5.786721      2.539494
  C      -6.626929      1.676239      5.387868
  C      -6.733574      0.406235      4.522814
  C      -7.910133      0.414293      3.591519
  N      -7.941137      1.426130      2.730761
  C      -8.927242      1.447222      1.805244
  N      -9.870992      0.541844      1.618709
  C      -9.874146     -0.503459      2.499889
  C     -10.848906     -1.520946      2.350443
  C     -10.884944     -2.582442      3.230307
  C      -9.959815     -2.664620      4.297383
  C      -8.991057     -1.695961      4.457283
  C      -8.912931     -0.602326      3.558845
  H      -2.450713      1.347793      2.490873
  H      -1.078189      0.407518      3.092581
  H      -3.454361     -0.906537      4.065472
  H      -2.328040     -1.515073      2.864293
  H      -4.809081      1.224928     -0.568032
  H      -7.951173     -2.049455      0.113355
  H      -8.239123     -3.888169      1.782592
  H      -6.534988     -4.229870      3.565896
  H      -4.574501     -2.737703      3.730209
  H      -5.228687      5.086183      5.238113
  H      -4.520323      5.896022      6.646230
  H      -4.514003      7.449226      4.876075
  H      -2.807851      6.958488      5.031320
  H      -6.188599      5.967893      0.992933
  H      -2.078268      4.817935     -0.691146
  H       0.203265      4.539080      0.294766
  H       0.595117      5.041122      2.701756
  H      -1.260124      5.821074      4.135208
  H      -7.405140      1.657483      6.173325
  H      -6.835212      2.539245      4.741287
  H      -5.835406      0.394414      3.887336
  H      -6.703077     -0.496303      5.146393
  H      -8.916280      2.310765      1.129484
  H     -11.558036     -1.431782      1.526288
  H     -11.630846     -3.368986      3.105264
  H     -10.009668     -3.505669      4.990870
  H      -8.269790     -1.776169      5.270803
  N      -4.498703      2.897835      3.357016
  N      -4.984660      3.067170      2.334744
88
Coordinates from ORCA-job orca E -6140.045632635251
  N      -2.265497      1.298933      4.568931
  Mo     -3.702521      2.567705      5.114776
  N      -5.297823      1.801380      5.980984
  C      -5.198127      1.417168      7.388922
  C      -3.754334      1.069845      7.725057
  N      -2.831448      2.067258      7.117450
  C      -1.481238      1.494819      6.862222
  C      -1.520033      0.617927      5.621469
  C      -2.739567      3.324375      7.910423
  C      -2.421358      4.474181      6.950755
  N      -3.330397      4.386350      5.812134
  H      -0.483832      0.409330      5.292538
  H      -1.964665     -0.371264      5.863495
  H      -0.809530      2.342459      6.670322
  H      -1.114015      0.946678      7.747950
  H      -2.531956      5.439484      7.474263
  H      -1.368883      4.414713      6.620882
  H      -3.722600      3.506108      8.367105
  H      -1.992763      3.214594      8.717507
  H      -5.827742      0.534325      7.610055
  H      -5.568320      2.224407      8.054925
  H      -3.505024      0.096047      7.280789
  H      -3.592856      1.002635      8.816167
  C      -2.147708      0.647970      3.266116
  C      -2.982937     -0.647984      3.106547
  C      -4.049381     -0.588921      2.034609
  N      -3.951375      0.351490      1.108218
  C      -4.928067      0.420552      0.164515
  N      -5.985095     -0.355579      0.044890
  C      -6.102498     -1.352957      0.973400
  C      -7.217187     -2.225438      0.905932
  C      -7.359772     -3.240700      1.827978
  C      -6.396120     -3.424186      2.846431
  C      -5.303567     -2.585074      2.938542
  C      -5.132862     -1.527612      2.010412
  C      -4.285289      5.471357      5.656452
  C      -3.808780      6.619485      4.730105
  C      -3.872840      6.233707      3.280754
  N      -5.075686      6.303414      2.715030
  C      -5.177142      5.945848      1.409596
  N      -4.205954      5.578223      0.595626
  C      -2.965885      5.475735      1.158523
  C      -1.884054      5.026736      0.361045
  C      -0.631300      4.870092      0.916910
  C      -0.406955      5.159821      2.283229
  C      -1.440032      5.606982      3.081469
  C      -2.739481      5.779307      2.540356
  C      -6.625132      1.671517      5.393853
  C      -6.735262      0.401338      4.529681
  C      -7.909464      0.414447      3.595184
  N      -7.936424      1.429580      2.738167
  C      -8.919255      1.455117      1.809166
  N      -9.864080      0.552070      1.616795
  C      -9.871837     -0.495944      2.494678
  C     -10.848935     -1.510518      2.340101
  C     -10.889700     -2.574479      3.216756
  C      -9.966728     -2.662679      4.285276
  C      -8.995796     -1.697050      4.450168
  C      -8.913403     -0.600667      3.555532
  H      -2.456767      1.354973      2.487133
  H      -1.081340      0.416343      3.084144
  H      -3.461552     -0.889036      4.068543
  H      -2.332590     -1.509957      2.875753
  H      -4.814002      1.223480     -0.570042
  H      -7.950292     -2.055566      0.116461
  H      -8.232403     -3.894912      1.785987
  H      -6.526465     -4.231733      3.568752
  H      -4.569719     -2.734612      3.731506
  H      -5.232503      5.091397      5.240223
  H      -4.523551      5.904142      6.646265
  H      -4.513535      7.452939      4.871769
  H      -2.808450      6.958979      5.028852
  H      -6.191115      5.963090      0.993053
  H      -2.083154      4.797095     -0.686487
  H       0.197070      4.514788      0.301185
  H       0.589544      5.023972      2.706722
  H      -1.263956      5.814619      4.136642
  H      -7.401061      1.653930      6.181611
  H      -6.834754      2.534297      4.747353
  H      -5.835801      0.384767      3.896210
  H      -6.710229     -0.500940      5.153934
  H      -8.904325      2.320958      1.136395
  H     -11.556246     -1.416864      1.514872
  H     -11.638239     -3.358013      3.088466
  H     -10.020425     -3.505697      4.976091
  H      -8.276618     -1.781978      5.265097
  N      -4.503375      2.899593      3.360382
  N      -4.992037      3.064999      2.338581
88
Coordinates from ORCA-job orca E -6140.046577928504
  N      -2.277487      1.352709      4.544177
  Mo     -3.734601      2.583339      5.121552
  N      -5.301462      1.788063      6.007507
  C      -5.174259      1.402285      7.413348
  C      -3.718401      1.079301      7.724523
  N      -2.822455      2.094974      7.106575
  C      -1.466759      1.551056      6.827508
  C      -1.505243      0.678878      5.582664
  C      -2.749786      3.352175      7.900540
  C      -2.471430      4.514253      6.945242
  N      -3.389654      4.412202      5.814896
  H      -0.467878      0.498064      5.240653
  H      -1.923924     -0.321855      5.822411
  H      -0.814054      2.413188      6.633702
  H      -1.074885      1.005095      7.704435
  H      -2.600873      5.470898      7.480520
  H      -1.419430      4.483685      6.606858
  H      -3.730938      3.506192      8.370764
  H      -1.990078      3.259248      8.698126
  H      -5.782172      0.506601      7.641830
  H      -5.548796      2.203224      8.084356
  H      -3.463022      0.111635      7.270470
  H      -3.537587      1.008313      8.812284
  C      -2.157961      0.717902      3.232195
  C      -2.977363     -0.586630      3.062200
  C      -4.045752     -0.528763      1.991833
  N      -3.955177      0.418057      1.071538
  C      -4.939987      0.495969      0.137079
  N      -5.997629     -0.279931      0.018465
  C      -6.101905     -1.289933      0.934916
  C      -7.212429     -2.167318      0.864258
  C      -7.342061     -3.196306      1.772704
  C      -6.369564     -3.388920      2.781310
  C      -5.282160     -2.543290      2.877989
  C      -5.124700     -1.472431      1.963184
  C      -4.330067      5.504754      5.635690
  C      -3.823047      6.634281      4.698517
  C      -3.863967      6.229043      3.254095
  N      -5.045329      6.340806      2.652246
  C      -5.120887      5.976000      1.346809
  N      -4.140083      5.563373      0.566131
  C      -2.925702      5.405592      1.170778
  C      -1.841432      4.893735      0.415131
  C      -0.619764      4.673787      1.016506
  C      -0.428420      4.963202      2.388313
  C      -1.462924      5.475194      3.144807
  C      -2.730692      5.711986      2.556016
  C      -6.638562      1.635819      5.444086
  C      -6.743043      0.367955      4.575581
  C      -7.917958      0.385167      3.640318
  N      -7.944204      1.406939      2.790847
  C      -8.926082      1.438086      1.860275
  N      -9.871828      0.537023      1.661689
  C      -9.879985     -0.516079      2.533125
  C     -10.856334     -1.531033      2.372434
  C     -10.894018     -2.602075      3.240651
  C      -9.969729     -2.697723      4.307732
  C      -9.000328     -1.731647      4.479335
  C      -8.922069     -0.628584      3.593049
  H      -2.480173      1.428771      2.461827
  H      -1.089507      0.504788      3.042294
  H      -3.453071     -0.837547      4.023300
  H      -2.318543     -1.440356      2.825831
  H      -4.834578      1.308990     -0.587576
  H      -7.953523     -1.989993      0.083806
  H      -8.210504     -3.855801      1.727671
  H      -6.488197     -4.207686      3.492996
  H      -4.542014     -2.698690      3.663926
  H      -5.275615      5.127004      5.213699
  H      -4.574824      5.954534      6.616145
  H      -4.505992      7.489138      4.815083
  H      -2.819669      6.950513      5.012505
  H      -6.120123      6.028799      0.899880
  H      -2.015838      4.663571     -0.636763
  H       0.208466      4.267165      0.433185
  H       0.543226      4.775982      2.848461
  H      -1.313599      5.682618      4.204229
  H      -7.399893      1.606305      6.245364
  H      -6.872603      2.496176      4.801889
  H      -5.844265      0.360026      3.941377
  H      -6.710954     -0.536546      5.196200
  H      -8.904552      2.306215      1.190779
  H     -11.564580     -1.432384      1.548483
  H     -11.642491     -3.384961      3.107741
  H     -10.020961     -3.547266      4.990800
  H      -8.280884     -1.823626      5.293301
  N      -4.562593      2.896636      3.376773
  N      -5.062236      3.039605      2.356636
88
Coordinates from ORCA-job orca E -6140.047451623512
  N      -2.302191      1.456452      4.492252
  Mo     -3.775181      2.641568      5.121598
  N      -5.309786      1.807085      6.022074
  C      -5.150284      1.405133      7.420974
  C      -3.681569      1.104899      7.699428
  N      -2.814732      2.144241      7.079132
  C      -1.456230      1.632415      6.764856
  C      -1.499096      0.779836      5.505976
  C      -2.758654      3.392994      7.887194
  C      -2.522346      4.576032      6.949196
  N      -3.454196      4.471816      5.830913
  H      -0.462118      0.632509      5.146382
  H      -1.889415     -0.235073      5.732233
  H      -0.822724      2.510584      6.578349
  H      -1.036184      1.078503      7.624126
  H      -2.664263      5.518096      7.507029
  H      -1.473051      4.574656      6.597174
  H      -3.735960      3.513306      8.374559
  H      -1.984749      3.309255      8.672545
  H      -5.733843      0.493559      7.648027
  H      -5.527520      2.192337      8.106229
  H      -3.422684      0.148025      7.224892
  H      -3.477328      1.019878      8.781966
  C      -2.182063      0.855681      3.163879
  C      -2.974905     -0.461859      2.973661
  C      -4.054241     -0.405881      1.914229
  N      -3.986005      0.552492      1.004393
  C      -4.985196      0.633469      0.085651
  N      -6.035800     -0.152832     -0.029869
  C      -6.111979     -1.179800      0.870630
  C      -7.208952     -2.073903      0.798631
  C      -7.309434     -3.121674      1.689143
  C      -6.321113     -3.316605      2.681746
  C      -5.247658     -2.453416      2.780985
  C      -5.119861     -1.364206      1.883692
  C      -4.370347      5.578232      5.630571
  C      -3.824039      6.666535      4.664205
  C      -3.841099      6.198965      3.239090
  N      -4.993955      6.343521      2.591803
  C      -5.048675      5.910640      1.306058
  N      -4.070159      5.395352      0.585689
  C      -2.890364      5.192861      1.243560
  C      -1.820023      4.560943      0.562128
  C      -0.642037      4.286126      1.224545
  C      -0.479733      4.641040      2.584952
  C      -1.498571      5.274413      3.267166
  C      -2.721912      5.568806      2.614330
  C      -6.654760      1.623718      5.481988
  C      -6.743939      0.356598      4.608609
  C      -7.927150      0.360698      3.681470
  N      -7.973962      1.386821      2.837789
  C      -8.963539      1.407769      1.914240
  N      -9.899615      0.495797      1.719455
  C      -9.885835     -0.560938      2.585628
  C     -10.846801     -1.591181      2.426824
  C     -10.857645     -2.669376      3.286792
  C      -9.923686     -2.756518      4.346443
  C      -8.969865     -1.774688      4.517308
  C      -8.918492     -0.665328      3.637185
  H      -2.526201      1.576120      2.411805
  H      -1.111187      0.671807      2.959881
  H      -3.437368     -0.738727      3.934288
  H      -2.301625     -1.298210      2.717524
  H      -4.900623      1.460703     -0.625514
  H      -7.964035     -1.894532      0.032109
  H      -8.167649     -3.794450      1.643912
  H      -6.415522     -4.150232      3.379658
  H      -4.494981     -2.609894      3.554709
  H      -5.318272      5.205703      5.209921
  H      -4.612462      6.057126      6.597747
  H      -4.473654      7.551390      4.732286
  H      -2.815123      6.954263      4.989499
  H      -6.027344      5.997054      0.822061
  H      -1.973177      4.280190     -0.480823
  H       0.172442      3.783754      0.699377
  H       0.456461      4.407784      3.094879
  H      -1.373236      5.531803      4.318589
  H      -7.400188      1.576270      6.296864
  H      -6.919541      2.479372      4.844977
  H      -5.850093      0.370009      3.967294
  H      -6.687287     -0.549004      5.225583
  H      -8.953975      2.276907      1.246510
  H     -11.563217     -1.499566      1.609069
  H     -11.592137     -3.465212      3.152769
  H      -9.954150     -3.612630      5.022571
  H      -8.243898     -1.861070      5.325962
  N      -4.631229      2.970331      3.393229
  N      -5.141616      3.112068      2.378178
88
Coordinates from ORCA-job orca E -6140.048339848243
  N      -2.326284      1.510930      4.466966
  Mo     -3.813487      2.658722      5.129864
  N      -5.318320      1.790851      6.047625
  C      -5.128896      1.379635      7.440562
  C      -3.650439      1.104467      7.692200
  N      -2.814124      2.165699      7.067720
  C      -1.450969      1.684047      6.728789
  C      -1.494984      0.841716      5.462713
  C      -2.773866      3.410500      7.882656
  C      -2.570557      4.604361      6.951418
  N      -3.509944      4.492554      5.840123
  H      -0.459968      0.720620      5.087790
  H      -1.860164     -0.183185      5.685144
  H      -0.836903      2.575955      6.542101
  H      -1.007232      1.130656      7.576535
  H      -2.724642      5.538717      7.519070
  H      -1.523213      4.625367      6.591928
  H      -3.747534      3.507453      8.382246
  H      -1.989095      3.338205      8.658325
  H      -5.691093      0.455343      7.669472
  H      -5.508654      2.154936      8.137594
  H      -3.382620      0.157181      7.203243
  H      -3.426162      1.012731      8.770298
  C      -2.205516      0.933714      3.128944
  C      -2.973941     -0.396105      2.927786
  C      -4.060288     -0.346993      1.876176
  N      -4.006049      0.614079      0.968204
  C      -5.013137      0.689687      0.057686
  N      -6.058869     -0.104353     -0.051123
  C      -6.119913     -1.134149      0.847437
  C      -7.209169     -2.038221      0.781165
  C      -7.292574     -3.090427      1.668340
  C      -6.294868     -3.279597      2.652546
  C      -5.229070     -2.406526      2.746578
  C      -5.118423     -1.313296      1.851909
  C      -4.398080      5.614900      5.610144
  C      -3.810512      6.678376      4.637396
  C      -3.807844      6.192224      3.218155
  N      -4.936310      6.373359      2.537706
  C      -4.974280      5.925345      1.256371
  N      -3.998126      5.363222      0.568860
  C      -2.844754      5.123950      1.260447
  C      -1.785091      4.436590      0.616999
  C      -0.637242      4.123174      1.314124
  C      -0.493861      4.495533      2.671841
  C      -1.502119      5.181964      3.317404
  C      -2.696948      5.512795      2.630111
  C      -6.667615      1.585435      5.526387
  C      -6.748862      0.322097      4.645541
  C      -7.929895      0.328223      3.715635
  N      -7.974552      1.360525      2.879391
  C      -8.960590      1.388288      1.952411
  N      -9.898608      0.480152      1.750717
  C      -9.888237     -0.582532      2.609654
  C     -10.852580     -1.608394      2.443298
  C     -10.866293     -2.693468      3.294308
  C      -9.931385     -2.792796      4.352160
  C      -8.975094     -1.814647      4.531448
  C      -8.921449     -0.697546      3.660954
  H      -2.569643      1.658244      2.390274
  H      -1.132895      0.774687      2.913437
  H      -3.424601     -0.691999      3.888231
  H      -2.286989     -1.216878      2.657752
  H      -4.939534      1.518283     -0.653167
  H      -7.972012     -1.863250      0.021375
  H      -8.144147     -3.771826      1.626821
  H      -6.375400     -4.116920      3.347733
  H      -4.469091     -2.558315      3.514060
  H      -5.346701      5.255164      5.180620
  H      -4.643782      6.113671      6.566246
  H      -4.438619      7.579656      4.680074
  H      -2.801122      6.946443      4.979646
  H      -5.935538      6.044240      0.744928
  H      -1.923383      4.144867     -0.424991
  H       0.167808      3.577617      0.818287
  H       0.418512      4.231991      3.209458
  H      -1.392026      5.451519      4.367121
  H      -7.401301      1.523204      6.350732
  H      -6.953238      2.439631      4.896756
  H      -5.854752      0.345519      4.004528
  H      -6.686766     -0.587280      5.256460
  H      -8.948376      2.263033      1.291828
  H     -11.569648     -1.507714      1.627193
  H     -11.603820     -3.485600      3.154541
  H      -9.964684     -3.654046      5.021554
  H      -8.251129     -1.908724      5.341022
  N      -4.706931      2.979250      3.419118
  N      -5.237305      3.113001      2.413485
88
Coordinates from ORCA-job orca E -6140.049170344565
  N      -2.363568      1.516265      4.482249
  Mo     -3.853118      2.653727      5.155310
  N      -5.344583      1.770760      6.085595
  C      -5.138870      1.357331      7.475555
  C      -3.657260      1.094200      7.714424
  N      -2.836956      2.164440      7.085514
  C      -1.471740      1.692635      6.737189
  C      -1.519109      0.852858      5.469543
  C      -2.798692      3.410478      7.899400
  C      -2.601218      4.603423      6.964713
  N      -3.541356      4.489062      5.854433
  H      -0.486831      0.738933      5.085114
  H      -1.874971     -0.174643      5.695486
  H      -0.864354      2.588144      6.546204
  H      -1.019408      1.140815      7.581120
  H      -2.757806      5.539534      7.528844
  H      -1.553028      4.627092      6.606462
  H      -3.770620      3.506660      8.402637
  H      -2.010251      3.342336      8.671227
  H      -5.692828      0.428839      7.707895
  H      -5.517253      2.127371      8.178931
  H      -3.382788      0.151222      7.220346
  H      -3.422598      1.002660      8.790510
  C      -2.238669      0.957452      3.139158
  C      -2.997231     -0.374861      2.921894
  C      -4.074567     -0.317705      1.863484
  N      -4.011115      0.651112      0.963794
  C      -5.007914      0.730403      0.042344
  N      -6.051587     -0.063980     -0.082083
  C      -6.124583     -1.097537      0.811175
  C      -7.212878     -2.001639      0.728319
  C      -7.305924     -3.058334      1.609365
  C      -6.319128     -3.252092      2.603385
  C      -5.254255     -2.380197      2.713237
  C      -5.133707     -1.282256      1.825254
  C      -4.385014      5.637873      5.586508
  C      -3.756184      6.681081      4.614117
  C      -3.747383      6.200188      3.192057
  N      -4.871241      6.395034      2.506508
  C      -4.911689      5.946710      1.225357
  N      -3.940417      5.375966      0.539096
  C      -2.785957      5.137266      1.228926
  C      -1.727650      4.452520      0.581110
  C      -0.571568      4.152091      1.270366
  C      -0.419565      4.534639      2.623647
  C      -1.430072      5.210999      3.276078
  C      -2.635284      5.525448      2.599451
  C      -6.691590      1.550197      5.569928
  C      -6.768185      0.277345      4.701095
  C      -7.937236      0.274334      3.758078
  N      -7.968308      1.297746      2.910728
  C      -8.939572      1.319526      1.969215
  N      -9.878342      0.413565      1.764866
  C      -9.884493     -0.640756      2.634645
  C     -10.852352     -1.662042      2.464519
  C     -10.882960     -2.740119      3.323603
  C      -9.960998     -2.836504      4.392852
  C      -9.002061     -1.861758      4.577060
  C      -8.930503     -0.750688      3.699274
  H      -2.607972      1.688925      2.410572
  H      -1.164705      0.809447      2.920148
  H      -3.451174     -0.684483      3.876003
  H      -2.303370     -1.188007      2.645362
  H      -4.925298      1.560348     -0.666057
  H      -7.966997     -1.823077     -0.039171
  H      -8.156776     -3.739861      1.554813
  H      -6.407962     -4.093205      3.292907
  H      -4.502824     -2.536117      3.488138
  H      -5.338280      5.303554      5.147912
  H      -4.629254      6.156770      6.532328
  H      -4.373963      7.589463      4.648116
  H      -2.746965      6.939451      4.966564
  H      -5.871027      6.075441      0.711540
  H      -1.870971      4.157266     -0.459052
  H       0.234124      3.610806      0.770818
  H       0.500080      4.283303      3.154716
  H      -1.312046      5.487941      4.322385
  H      -7.424711      1.490501      6.395178
  H      -6.981240      2.397317      4.933858
  H      -5.868103      0.291634      4.067664
  H      -6.715343     -0.626868      5.320942
  H      -8.917412      2.188494      1.300527
  H     -11.559217     -1.563584      1.639405
  H     -11.622758     -3.529603      3.180810
  H     -10.007899     -3.691223      5.069647
  H      -8.289581     -1.950678      5.397495
  N      -4.777253      2.966966      3.459357
  N      -5.330120      3.103420      2.466582
88
Coordinates from ORCA-job orca E -6140.050052161562
  N      -2.375600      1.572783      4.473658
  Mo     -3.880074      2.678457      5.163843
  N      -5.353820      1.762579      6.091741
  C      -5.135129      1.342914      7.478050
  C      -3.648121      1.102646      7.708136
  N      -2.847969      2.190389      7.083898
  C      -1.477261      1.742813      6.725792
  C      -1.516800      0.913257      5.450814
  C      -2.826686      3.431758      7.904959
  C      -2.646492      4.634188      6.979972
  N      -3.585048      4.515386      5.868953
  H      -0.484303      0.820457      5.061323
  H      -1.854450     -0.121989      5.669228
  H      -0.883707      2.648872      6.541145
  H      -1.013208      1.190139      7.562875
  H      -2.818530      5.562478      7.552827
  H      -1.596912      4.677483      6.625594
  H      -3.799375      3.510522      8.409593
  H      -2.036216      3.370739      8.675317
  H      -5.671644      0.403289      7.706004
  H      -5.523575      2.101712      8.188141
  H      -3.361234      0.168619      7.204253
  H      -3.406229      1.005769      8.782127
  C      -2.244115      1.038680      3.121609
  C      -2.998507     -0.291712      2.881391
  C      -4.074365     -0.214562      1.822966
  N      -4.000802      0.763751      0.934136
  C      -4.996582      0.863518      0.013607
  N      -6.049208      0.082391     -0.118794
  C      -6.132989     -0.960161      0.762891
  C      -7.230534     -1.851717      0.669864
  C      -7.333964     -2.917859      1.538257
  C      -6.349809     -3.133037      2.530522
  C      -5.276194     -2.273249      2.650574
  C      -5.143921     -1.167058      1.774584
  C      -4.390294      5.682007      5.565152
  C      -3.717826      6.685695      4.579706
  C      -3.707250      6.171108      3.169891
  N      -4.813046      6.390716      2.463144
  C      -4.854864      5.906406      1.195099
  N      -3.900454      5.272770      0.541103
  C      -2.764797      5.010557      1.253387
  C      -1.727122      4.263766      0.641832
  C      -0.590169      3.944405      1.354012
  C      -0.437773      4.367574      2.695109
  C      -1.429707      5.101469      3.312889
  C      -2.614736      5.437557      2.612185
  C      -6.698392      1.514702      5.581060
  C      -6.759509      0.231389      4.724328
  C      -7.926120      0.206872      3.777884
  N      -7.962923      1.218366      2.916680
  C      -8.934546      1.222631      1.975257
  N      -9.871611      0.311470      1.786305
  C      -9.872728     -0.730042      2.671371
  C     -10.841593     -1.753718      2.521779
  C     -10.866824     -2.819720      3.396072
  C      -9.936105     -2.902601      4.459007
  C      -8.977317     -1.924334      4.624464
  C      -8.913727     -0.823878      3.732931
  H      -2.617436      1.780538      2.405785
  H      -1.169277      0.902350      2.899676
  H      -3.453900     -0.616108      3.829812
  H      -2.303551     -1.099671      2.592693
  H      -4.905694      1.700925     -0.684954
  H      -7.982833     -1.657009     -0.095514
  H      -8.189512     -3.592340      1.473629
  H      -6.447084     -3.981369      3.210011
  H      -4.526814     -2.445453      3.423928
  H      -5.345989      5.365484      5.119417
  H      -4.632545      6.228344      6.496049
  H      -4.307618      7.613146      4.585714
  H      -2.705590      6.919936      4.939860
  H      -5.802059      6.056497      0.665171
  H      -1.870738      3.938601     -0.389306
  H       0.199124      3.355854      0.882567
  H       0.466367      4.100981      3.245063
  H      -1.312226      5.409490      4.350776
  H      -7.427316      1.449991      6.409724
  H      -7.004257      2.351524      4.938973
  H      -5.857458      0.247357      4.093831
  H      -6.700949     -0.665652      5.354155
  H      -8.912825      2.079576      1.291212
  H     -11.554450     -1.666257      1.700567
  H     -11.609850     -3.609388      3.271074
  H      -9.977980     -3.748173      5.147550
  H      -8.259918     -2.001302      5.442050
  N      -4.813043      2.997091      3.473403
  N      -5.370175      3.135136      2.483208
88
Coordinates from ORCA-job orca E -6140.050670971875
  N      -2.420112      1.628488      4.438647
  Mo     -3.917281      2.724233      5.160149
  N      -5.379576      1.785291      6.090235
  C      -5.140504      1.344179      7.466365
  C      -3.649475      1.109171      7.675827
  N      -2.861887      2.210744      7.059582
  C      -1.491893      1.776811      6.680109
  C      -1.542327      0.964589      5.394634
  C      -2.835684      3.439878      7.898111
  C      -2.661345      4.655399      6.989839
  N      -3.606992      4.549550      5.884144
  H      -0.515323      0.883389      4.988776
  H      -1.869370     -0.076008      5.605305
  H      -0.906071      2.688862      6.500579
  H      -1.015662      1.215340      7.504190
  H      -2.833480      5.575405      7.576229
  H      -1.613149      4.707146      6.632389
  H      -3.805479      3.511472      8.409406
  H      -2.040058      3.368264      8.662016
  H      -5.670113      0.398496      7.685588
  H      -5.524129      2.088546      8.194498
  H      -3.362131      0.185305      7.154267
  H      -3.394730      0.997554      8.745348
  C      -2.298718      1.119347      3.075955
  C      -3.020767     -0.228291      2.823971
  C      -4.111475     -0.173359      1.777848
  N      -4.080058      0.815701      0.897816
  C      -5.084864      0.886267     -0.015746
  N      -6.108431      0.067871     -0.149076
  C      -6.149171     -0.984184      0.723844
  C      -7.217127     -1.911209      0.633247
  C      -7.278207     -2.985411      1.495867
  C      -6.277474     -3.175795      2.476459
  C      -5.232072     -2.281771      2.593581
  C      -5.146147     -1.163535      1.727139
  C      -4.369932      5.739633      5.564861
  C      -3.658370      6.709529      4.577948
  C      -3.641148      6.164799      3.180521
  N      -4.731943      6.390838      2.452936
  C      -4.768041      5.872182      1.198449
  N      -3.823086      5.192694      0.577530
  C      -2.701092      4.928961      1.310757
  C      -1.669598      4.147975      0.732872
  C      -0.544367      3.833679      1.466004
  C      -0.400481      4.291450      2.796543
  C      -1.387713      5.057101      3.382274
  C      -2.558103      5.393764      2.657812
  C      -6.728565      1.535060      5.594292
  C      -6.795116      0.251178      4.737945
  C      -7.971718      0.217343      3.804069
  N      -8.031716      1.228847      2.944603
  C      -9.015066      1.222831      2.015631
  N      -9.939148      0.296986      1.832960
  C      -9.913038     -0.748157      2.713217
  C     -10.856301     -1.794472      2.559800
  C     -10.846361     -2.870713      3.421913
  C      -9.909270     -2.937691      4.480164
  C      -8.976224     -1.935848      4.649839
  C      -8.943763     -0.827849      3.766330
  H      -2.699659      1.863175      2.377735
  H      -1.224834      1.013149      2.834885
  H      -3.453097     -0.581010      3.772952
  H      -2.305003     -1.010031      2.514927
  H      -5.030475      1.733432     -0.706427
  H      -7.983180     -1.735244     -0.122881
  H      -8.115594     -3.683693      1.438429
  H      -6.342509     -4.030381      3.151849
  H      -4.470849     -2.434279      3.359509
  H      -5.330105      5.451616      5.110157
  H      -4.602767      6.302914      6.488443
  H      -4.228542      7.649752      4.560246
  H      -2.646442      6.926096      4.947187
  H      -5.703212      6.030973      0.650565
  H      -1.807717      3.795121     -0.289856
  H       0.240626      3.219729      1.020605
  H       0.493793      4.027966      3.363896
  H      -1.276684      5.393349      4.413133
  H      -7.447163      1.464088      6.431748
  H      -7.046131      2.371669      4.957889
  H      -5.899802      0.270420      4.098419
  H      -6.727551     -0.645730      5.366899
  H      -9.011975      2.078751      1.330685
  H     -11.574159     -1.719239      1.741716
  H     -11.563364     -3.682134      3.288581
  H      -9.922833     -3.791613      5.159506
  H      -8.249482     -2.001981      5.460150
  N      -4.867905      3.087185      3.487516
  N      -5.440346      3.257601      2.511744
88
Coordinates from ORCA-job orca E -6140.051617940196
  N      -2.443830      1.636863      4.405222
  Mo     -3.943920      2.719370      5.139490
  N      -5.395837      1.751284      6.062381
  C      -5.147905      1.299320      7.433051
  C      -3.653837      1.080200      7.637457
  N      -2.879829      2.196383      7.029774
  C      -1.505742      1.780700      6.642959
  C      -1.554178      0.977278      5.352136
  C      -2.863013      3.417053      7.880560
  C      -2.697749      4.643898      6.986737
  N      -3.639595      4.538744      5.878331
  H      -0.529387      0.907000      4.938978
  H      -1.870075     -0.067690      5.559615
  H      -0.930053      2.699957      6.468045
  H      -1.022214      1.217302      7.461233
  H      -2.884667      5.555160      7.582623
  H      -1.648592      4.714221      6.635462
  H      -3.834349      3.476349      8.390666
  H      -2.067936      3.343509      8.644654
  H      -5.666708      0.345585      7.643645
  H      -5.538746      2.030667      8.170823
  H      -3.355401      0.165328      7.106717
  H      -3.395537      0.961861      8.705352
  C      -2.330813      1.129346      3.042036
  C      -3.050713     -0.221189      2.798284
  C      -4.148930     -0.173387      1.759301
  N      -4.114436      0.800049      0.861709
  C      -5.121680      0.860581     -0.049844
  N      -6.151976      0.047844     -0.163531
  C      -6.198854     -0.985903      0.730642
  C      -7.277137     -1.902699      0.665350
  C      -7.344669     -2.957625      1.551226
  C      -6.340883     -3.138242      2.530410
  C      -5.285083     -2.253761      2.622476
  C      -5.192127     -1.155092      1.732159
  C      -4.378358      5.739504      5.542641
  C      -3.642725      6.713114      4.580187
  C      -3.580784      6.173820      3.182221
  N      -4.663305      6.364955      2.432886
  C      -4.655856      5.847052      1.177534
  N      -3.675719      5.202054      0.574560
  C      -2.556277      4.984234      1.326625
  C      -1.476855      4.261415      0.761177
  C      -0.348095      4.002344      1.510442
  C      -0.251009      4.454717      2.846962
  C      -1.285816      5.164120      3.420972
  C      -2.458570      5.448228      2.677977
  C      -6.742189      1.488846      5.567900
  C      -6.805956      0.194916      4.724696
  C      -7.985257      0.151045      3.794563
  N      -8.046201      1.149128      2.920059
  C      -9.040759      1.138726      2.003350
  N      -9.978967      0.221701      1.849122
  C      -9.950910     -0.810997      2.743874
  C     -10.911025     -1.845968      2.622173
  C     -10.900262     -2.910549      3.498810
  C      -9.943080     -2.976995      4.538936
  C      -8.995124     -1.984656      4.678976
  C      -8.965357     -0.887354      3.782012
  H      -2.740933      1.870389      2.347035
  H      -1.259132      1.027798      2.791005
  H      -3.474893     -0.572328      3.751384
  H      -2.334657     -1.001516      2.486406
  H      -5.064303      1.695158     -0.755532
  H      -8.045431     -1.734937     -0.090277
  H      -8.188471     -3.649252      1.511916
  H      -6.412585     -3.977135      3.224476
  H      -4.521296     -2.398223      3.387446
  H      -5.329718      5.462960      5.063519
  H      -4.628968      6.301910      6.462555
  H      -4.225207      7.646013      4.550494
  H      -2.644636      6.941919      4.976352
  H      -5.584262      5.974540      0.610723
  H      -1.580077      3.909347     -0.265903
  H       0.475282      3.433902      1.074138
  H       0.646782      4.234871      3.427265
  H      -1.208379      5.500319      4.455481
  H      -7.459626      1.419510      6.406837
  H      -7.066164      2.317940      4.925097
  H      -5.910623      0.206533      4.084963
  H      -6.741080     -0.695246      5.363100
  H      -9.037196      1.981915      1.303277
  H     -11.643023     -1.771509      1.816642
  H     -11.632816     -3.712014      3.391695
  H      -9.954473     -3.821708      5.229717
  H      -8.254378     -2.048509      5.476570
  N      -4.905047      3.117092      3.479615
  N      -5.488240      3.316108      2.515838
88
Coordinates from ORCA-job orca E -6140.052323687694
  N      -2.482305      1.667820      4.389833
  Mo     -3.986617      2.727399      5.144590
  N      -5.410100      1.735518      6.087332
  C      -5.137776      1.288035      7.454673
  C      -3.638468      1.092212      7.639361
  N      -2.891382      2.219663      7.019288
  C      -1.516838      1.824467      6.613303
  C      -1.570356      1.019935      5.322770
  C      -2.884924      3.440648      7.869213
  C      -2.746774      4.671388      6.976720
  N      -3.691973      4.554170      5.871636
  H      -0.550235      0.967225      4.895456
  H      -1.866386     -0.030199      5.532858
  H      -0.957586      2.752392      6.430817
  H      -1.014015      1.268678      7.425121
  H      -2.948604      5.576424      7.577514
  H      -1.699572      4.763369      6.622819
  H      -3.852582      3.484721      8.387715
  H      -2.082145      3.379436      8.626361
  H      -5.637977      0.326136      7.672531
  H      -5.530752      2.013684      8.196768
  H      -3.332824      0.180798      7.106467
  H      -3.363953      0.980251      8.703958
  C      -2.376416      1.177673      3.020915
  C      -3.092553     -0.171063      2.765174
  C      -4.186566     -0.103142      1.725349
  N      -4.142945      0.887137      0.847078
  C      -5.145963      0.970729     -0.066868
  N      -6.181145      0.166820     -0.198998
  C      -6.238549     -0.882171      0.676816
  C      -7.322977     -1.790064      0.591313
  C      -7.400954     -2.860297      1.457602
  C      -6.401550     -3.066320      2.436328
  C      -5.339686     -2.191424      2.547808
  C      -5.236187     -1.077074      1.678093
  C      -4.394923      5.766267      5.503186
  C      -3.616213      6.713494      4.544372
  C      -3.519365      6.155752      3.154841
  N      -4.582118      6.341509      2.376984
  C      -4.552059      5.797155      1.133227
  N      -3.564249      5.133376      0.564446
  C      -2.461624      4.925030      1.343663
  C      -1.375050      4.185575      0.814325
  C      -0.261699      3.938011      1.589912
  C      -0.187220      4.419735      2.917523
  C      -1.229792      5.145026      3.456828
  C      -2.388728      5.415981      2.687361
  C      -6.755028      1.447613      5.606769
  C      -6.807075      0.135121      4.791698
  C      -7.974574      0.072678      3.848554
  N      -8.020389      1.053782      2.954013
  C      -9.000293      1.026640      2.021962
  N      -9.940162      0.110741      1.873436
  C      -9.927178     -0.905433      2.787274
  C     -10.888847     -1.939761      2.671030
  C     -10.892460     -2.989402      3.565349
  C      -9.948656     -3.041064      4.618524
  C      -9.000124     -2.048550      4.754671
  C      -8.955889     -0.965680      3.840185
  H      -2.797130      1.924966      2.338577
  H      -1.306385      1.087420      2.758755
  H      -3.519036     -0.531348      3.713695
  H      -2.376560     -0.947869      2.444282
  H      -5.077960      1.815193     -0.759698
  H      -8.087675     -1.603297     -0.163508
  H      -8.249083     -3.545325      1.402968
  H      -6.481066     -3.917777      3.114073
  H      -4.579159     -2.355841      3.311805
  H      -5.342016      5.503051      5.008868
  H      -4.651592      6.347351      6.410065
  H      -4.185003      7.652792      4.484721
  H      -2.626418      6.936954      4.965633
  H      -5.466530      5.921628      0.543532
  H      -1.460154      3.812873     -0.207175
  H       0.568196      3.358929      1.180539
  H       0.699562      4.210709      3.518503
  H      -1.168262      5.504624      4.483394
  H      -7.470325      1.390431      6.448559
  H      -7.087164      2.258881      4.945939
  H      -5.905031      0.134312      4.160989
  H      -6.748075     -0.741270      5.449328
  H      -8.985411      1.857322      1.307071
  H     -11.610318     -1.876971      1.855118
  H     -11.626362     -3.790480      3.462489
  H      -9.971501     -3.873849      5.323335
  H      -8.271218     -2.100527      5.563682
  N      -4.990792      3.108348      3.505579
  N      -5.602589      3.299704      2.557651
88
Coordinates from ORCA-job orca E -6140.053093787526
  N      -2.514872      1.717835      4.337047
  Mo     -4.023173      2.749222      5.120923
  N      -5.422999      1.723051      6.065127
  C      -5.126580      1.255224      7.420515
  C      -3.622366      1.081224      7.585620
  N      -2.902106      2.231324      6.975292
  C      -1.524786      1.868487      6.549487
  C      -1.577728      1.078625      5.250083
  C      -2.910782      3.438641      7.843973
  C      -2.796021      4.686126      6.972466
  N      -3.739548      4.570915      5.865317
  H      -0.562461      1.052031      4.808960
  H      -1.849353      0.020181      5.451105
  H      -0.985850      2.809479      6.373058
  H      -1.002731      1.312351      7.348801
  H      -3.015809      5.575851      7.590031
  H      -1.750337      4.805713      6.621817
  H      -3.877109      3.458832      8.366410
  H      -2.104172      3.378198      8.597048
  H      -5.608920      0.281808      7.627060
  H      -5.522508      1.961162      8.179901
  H      -3.307063      0.183325      7.035773
  H      -3.334510      0.958038      8.645411
  C      -2.422994      1.240979      2.963103
  C      -3.106484     -0.125413      2.713997
  C      -4.226623     -0.081491      1.701691
  N      -4.233395      0.917475      0.832124
  C      -5.259926      0.978924     -0.056851
  N      -6.274669      0.146389     -0.170686
  C      -6.281468     -0.909768      0.698489
  C      -7.343685     -1.845374      0.634805
  C      -7.371988     -2.921701      1.496705
  C      -6.341802     -3.108220      2.447150
  C      -5.300294     -2.206773      2.536517
  C      -5.249269     -1.084064      1.672770
  C      -4.410534      5.794407      5.477848
  C      -3.588594      6.722497      4.537753
  C      -3.450430      6.143340      3.160495
  N      -4.492070      6.311891      2.351369
  C      -4.428560      5.743524      1.119750
  N      -3.425426      5.070437      0.590099
  C      -2.340361      4.884939      1.399566
  C      -1.235082      4.146098      0.909589
  C      -0.136727      3.925716      1.714320
  C      -0.096350      4.435221      3.032979
  C      -1.157745      5.160887      3.534008
  C      -2.302591      5.403459      2.734466
  C      -6.772662      1.430481      5.601691
  C      -6.831584      0.123837      4.776924
  C      -8.017396      0.066554      3.856279
  N      -8.091109      1.062909      2.980734
  C      -9.096767      1.048709      2.076078
  N     -10.036663      0.131539      1.936403
  C      -9.991397     -0.903710      2.827474
  C     -10.947507     -1.943471      2.714096
  C     -10.917262     -3.013616      3.583218
  C      -9.944704     -3.080566      4.609020
  C      -9.001878     -2.082302      4.742823
  C      -8.991669     -0.978626      3.852412
  H      -2.878652      1.980892      2.295000
  H      -1.356850      1.182808      2.677610
  H      -3.499414     -0.503987      3.669781
  H      -2.376320     -0.878869      2.370234
  H      -5.231901      1.829445     -0.745019
  H      -8.132402     -1.674556     -0.098711
  H      -8.203694     -3.627940      1.460478
  H      -6.381506     -3.965551      3.121001
  H      -4.515492     -2.356445      3.278707
  H      -5.347814      5.546274      4.958187
  H      -4.680514      6.383306      6.376165
  H      -4.145442      7.666600      4.447919
  H      -2.611421      6.942163      4.989463
  H      -5.327079      5.855656      0.503841
  H      -1.293328      3.753228     -0.106254
  H       0.708768      3.349100      1.334362
  H       0.779935      4.249687      3.656714
  H      -1.120746      5.544399      4.552827
  H      -7.474900      1.363453      6.453805
  H      -7.119234      2.244150      4.951469
  H      -5.940927      0.133194      4.130319
  H      -6.757926     -0.758449      5.425035
  H      -9.104771      1.891875      1.376052
  H     -11.691264     -1.868847      1.919472
  H     -11.646124     -3.819214      3.480953
  H      -9.940503     -3.929839      5.294251
  H      -8.250582     -2.146294      5.530131
  N      -5.054265      3.151805      3.502333
  N      -5.684588      3.358706      2.570055
88
Coordinates from ORCA-job orca E -6140.053787854567
  N      -2.552085      1.758904      4.285410
  Mo     -4.053639      2.779091      5.093467
  N      -5.441102      1.729087      6.033654
  C      -5.130654      1.241843      7.378538
  C      -3.624153      1.076863      7.531118
  N      -2.916956      2.240313      6.930330
  C      -1.540580      1.893265      6.488323
  C      -1.600470      1.117439      5.180787
  C      -2.928110      3.433637      7.818379
  C      -2.825394      4.696864      6.969923
  N      -3.767365      4.591051      5.860559
  H      -0.590095      1.103715      4.728102
  H      -1.861954      0.054566      5.371885
  H      -1.010333      2.840283      6.318018
  H      -1.007942      1.331888      7.276846
  H      -3.058436      5.571505      7.604683
  H      -1.781253      4.838068      6.623954
  H      -3.893095      3.438952      8.343710
  H      -2.119122      3.365002      8.568024
  H      -5.604243      0.261486      7.572045
  H      -5.527830      1.931501      8.152337
  H      -3.305071      0.187862      6.969552
  H      -3.328507      0.943784      8.587434
  C      -2.477750      1.294815      2.905702
  C      -3.149863     -0.078557      2.657996
  C      -4.283780     -0.047891      1.658602
  N      -4.315078      0.951573      0.790085
  C      -5.348990      0.996366     -0.090994
  N      -6.351045      0.147866     -0.197535
  C      -6.334224     -0.907625      0.671988
  C      -7.384634     -1.857070      0.619342
  C      -7.392002     -2.931039      1.484455
  C      -6.350221     -3.103144      2.425139
  C      -5.318662     -2.189096      2.502170
  C      -5.290793     -1.066479      1.637154
  C      -4.409130      5.827609      5.464826
  C      -3.551271      6.734896      4.542115
  C      -3.379184      6.125982      3.182212
  N      -4.406982      6.261022      2.350135
  C      -4.312992      5.663375      1.134612
  N      -3.291315      4.990366      0.640891
  C      -2.215570      4.846726      1.471889
  C      -1.086413      4.121850      1.017074
  C       0.003250      3.943783      1.844332
  C       0.010616      4.483647      3.151402
  C      -1.074224      5.198577      3.617278
  C      -2.210544      5.397257      2.794140
  C      -6.792896      1.432346      5.580924
  C      -6.853190      0.111609      4.778488
  C      -8.043942      0.034848      3.865287
  N      -8.128673      1.012856      2.970132
  C      -9.143973      0.976472      2.076266
  N     -10.081172      0.052830      1.963354
  C     -10.020081     -0.966927      2.870900
  C     -10.967772     -2.016849      2.782536
  C     -10.918495     -3.074141      3.666493
  C      -9.935585     -3.116635      4.683575
  C      -9.001560     -2.107430      4.793628
  C      -9.010458     -1.017130      3.887021
  H      -2.953101      2.034446      2.251081
  H      -1.416487      1.251853      2.601338
  H      -3.526173     -0.465726      3.617182
  H      -2.414386     -0.821486      2.303103
  H      -5.339209      1.846956     -0.779527
  H      -8.182583     -1.697996     -0.106784
  H      -8.216061     -3.646957      1.458953
  H      -6.373404     -3.958995      3.101617
  H      -4.524450     -2.327828      3.236564
  H      -5.338166      5.596406      4.923558
  H      -4.687715      6.421665      6.357682
  H      -4.098164      7.681804      4.420683
  H      -2.586850      6.955021      5.019014
  H      -5.199696      5.751691      0.498511
  H      -1.119360      3.705509      0.009394
  H       0.868331      3.379623      1.490661
  H       0.881475      4.334528      3.792356
  H      -1.061224      5.608900      4.626745
  H      -7.490624      1.376945      6.437858
  H      -7.144279      2.235232      4.920106
  H      -5.964199      0.109913      4.129874
  H      -6.778119     -0.759052      5.441848
  H      -9.162605      1.804114      1.358971
  H     -11.719261     -1.961247      1.993630
  H     -11.639630     -3.888512      3.582269
  H      -9.915672     -3.956144      5.380491
  H      -8.241157     -2.153488      5.573374
  N      -5.101702      3.225082      3.494777
  N      -5.746943      3.463624      2.580598
88
Coordinates from ORCA-job orca E -6140.054378731313
  N      -2.585826      1.799454      4.226171
  Mo     -4.083773      2.801266      5.060177
  N      -5.449275      1.725742      6.003739
  C      -5.118372      1.219466      7.336335
  C      -3.608739      1.071043      7.470759
  N      -2.924622      2.252089      6.877771
  C      -1.548420      1.930679      6.416780
  C      -1.612417      1.165509      5.103111
  C      -2.946999      3.431532      7.784184
  C      -2.866886      4.709988      6.957675
  N      -3.805237      4.608181      5.844536
  H      -0.607899      1.172703      4.637374
  H      -1.854720      0.096918      5.286460
  H      -1.034232      2.887103      6.249424
  H      -0.998509      1.370302      7.194084
  H      -3.117982      5.567609      7.609048
  H      -1.825688      4.878952      6.615896
  H      -3.909634      3.414086      8.313505
  H      -2.134183      3.361923      8.529453
  H      -5.577327      0.229871      7.517484
  H      -5.517125      1.890502      8.125494
  H      -3.283514      0.192814      6.895886
  H      -3.300575      0.929602      8.522336
  C      -2.532843      1.338717      2.844337
  C      -3.189750     -0.044117      2.609983
  C      -4.339414     -0.028016      1.628836
  N      -4.396481      0.973362      0.764161
  C      -5.439829      1.004564     -0.105677
  N      -6.430531      0.141831     -0.203482
  C      -6.388950     -0.914339      0.664436
  C      -7.427434     -1.877374      0.622261
  C      -7.411937     -2.951638      1.486633
  C      -6.357713     -3.111163      2.415757
  C      -5.336395     -2.184686      2.481516
  C      -5.332322     -1.060767      1.617436
  C      -4.424868      5.854021      5.439438
  C      -3.530987      6.748730      4.540530
  C      -3.311173      6.116571      3.197949
  N      -4.317550      6.220812      2.336400
  C      -4.185738      5.596845      1.137883
  N      -3.143495      4.924997      0.686903
  C      -2.084928      4.819188      1.546333
  C      -0.933202      4.104205      1.134855
  C       0.139069      3.961439      1.991707
  C       0.105952      4.529553      3.286035
  C      -1.001716      5.236974      3.709176
  C      -2.120763      5.398823      2.855271
  C      -6.803767      1.423574      5.565009
  C      -6.865473      0.095484      4.774937
  C      -8.065108      0.007922      3.875220
  N      -8.165788      0.982187      2.977562
  C      -9.194479      0.938091      2.098997
  N     -10.130518      0.011435      2.004262
  C     -10.051401     -1.005922      2.913239
  C     -10.996727     -2.059615      2.843267
  C     -10.929103     -3.114307      3.729065
  C      -9.928999     -3.151000      4.729475
  C      -8.997367     -2.137799      4.822066
  C      -9.025903     -1.049255      3.913499
  H      -3.033630      2.071260      2.200311
  H      -1.477676      1.313159      2.518073
  H      -3.544791     -0.435201      3.575788
  H      -2.450401     -0.777404      2.243235
  H      -5.448459      1.855427     -0.793843
  H      -8.235196     -1.728583     -0.095158
  H      -8.226497     -3.678423      1.469290
  H      -6.362195     -3.967707      3.091748
  H      -4.531598     -2.314517      3.205878
  H      -5.341621      5.633572      4.873896
  H      -4.719255      6.448604      6.327124
  H      -4.068103      7.696328      4.385756
  H      -2.584571      6.972948      5.050807
  H      -5.057201      5.659668      0.478159
  H      -0.934914      3.666485      0.135629
  H       1.022143      3.405619      1.670687
  H       0.963937      4.410514      3.950229
  H      -1.018695      5.670202      4.708852
  H      -7.495226      1.375363      6.427595
  H      -7.161158      2.219376      4.899077
  H      -5.982074      0.091294      4.118714
  H      -6.782100     -0.769195      5.444942
  H      -9.226434      1.762590      1.378502
  H     -11.761410     -2.008550      2.066850
  H     -11.649454     -3.930951      3.659516
  H      -9.894444     -3.988804      5.427862
  H      -8.224485     -2.179896      5.589514
  N      -5.163161      3.263805      3.484744
  N      -5.830146      3.515864      2.589888
88
Coordinates from ORCA-job orca E -6140.054893087708
  N      -2.619924      1.833411      4.172900
  Mo     -4.108491      2.825460      5.031834
  N      -5.460317      1.732087      5.973276
  C      -5.114418      1.202243      7.292769
  C      -3.602737      1.061157      7.411102
  N      -2.933022      2.256516      6.830761
  C      -1.558173      1.954358      6.352535
  C      -1.628229      1.202430      5.031639
  C      -2.959796      3.419953      7.757433
  C      -2.892513      4.713263      6.954628
  N      -3.827205      4.624200      5.837254
  H      -0.629388      1.226731      4.554425
  H      -1.856814      0.129382      5.205497
  H      -1.054831      2.917384      6.189745
  H      -0.994502      1.391509      7.118198
  H      -3.154971      5.554941      7.622456
  H      -1.853147      4.901226      6.618061
  H      -3.919913      3.384918      8.290287
  H      -2.143706      3.342995      8.498254
  H      -5.564977      0.206013      7.458130
  H      -5.511794      1.854817      8.097850
  H      -3.276276      0.193744      6.820644
  H      -3.284024      0.906503      8.457642
  C      -2.590862      1.371424      2.790320
  C      -3.235442     -0.020218      2.572745
  C      -4.396635     -0.025956      1.605114
  N      -4.480125      0.970703      0.737131
  C      -5.530842      0.978747     -0.124073
  N      -6.507582      0.098914     -0.208890
  C      -6.439995     -0.951427      0.664402
  C      -7.462344     -1.932137      0.636464
  C      -7.420394     -3.002180      1.504978
  C      -6.355141     -3.139156      2.425104
  C      -5.349020     -2.195382      2.476970
  C      -5.371737     -1.075591      1.607720
  C      -4.424486      5.882302      5.430723
  C      -3.500403      6.768967      4.555098
  C      -3.244687      6.126210      3.223152
  N      -4.234248      6.211873      2.340535
  C      -4.074500      5.574546      1.152594
  N      -3.017426      4.906232      0.731345
  C      -1.972209      4.826103      1.610399
  C      -0.804552      4.121468      1.227879
  C       0.254374      4.001300      2.105056
  C       0.191193      4.584474      3.391169
  C      -0.932929      5.283299      3.785691
  C      -2.038737      5.420378      2.911009
  C      -6.816696      1.426561      5.542925
  C      -6.880546      0.090418      4.766260
  C      -8.084632     -0.009454      3.874491
  N      -8.195728      0.957165      2.969680
  C      -9.230256      0.900136      2.098195
  N     -10.163531     -0.030512      2.019060
  C     -10.074335     -1.039623      2.936395
  C     -11.018481     -2.095620      2.885271
  C     -10.940843     -3.141513      3.780583
  C      -9.930085     -3.167985      4.770565
  C      -8.999568     -2.152213      4.845006
  C      -9.040009     -1.071190      3.927859
  H      -3.113075      2.096835      2.155064
  H      -1.542025      1.357312      2.443779
  H      -3.573472     -0.409452      3.545553
  H      -2.492305     -0.747499      2.201686
  H      -5.559891      1.825142     -0.817261
  H      -8.278736     -1.800930     -0.074603
  H      -8.221392     -3.743788      1.497233
  H      -6.338285     -3.992358      3.105086
  H      -4.535096     -2.307957      3.193987
  H      -5.332780      5.676821      4.846727
  H      -4.728004      6.472786      6.317962
  H      -4.025393      7.719499      4.378317
  H      -2.568996      6.991468      5.093044
  H      -4.934774      5.619558      0.476932
  H      -0.782947      3.673330      0.233452
  H       1.149910      3.453258      1.805997
  H       1.038956      4.485231      4.071464
  H      -0.970989      5.729539      4.779202
  H      -7.505470      1.388011      6.408386
  H      -7.175187      2.215930      4.870446
  H      -6.000165      0.080992      4.106092
  H      -6.792743     -0.767313      5.444551
  H      -9.270052      1.717817      1.370245
  H     -11.790919     -2.052622      2.116089
  H     -11.662126     -3.958780      3.727286
  H      -9.887379     -3.999311      5.476196
  H      -8.219550     -2.186762      5.605600
  N      -5.210159      3.305642      3.475470
  N      -5.892751      3.570806      2.596388
88
Coordinates from ORCA-job orca E -6140.055320813252
  N      -2.635022      1.860519      4.150707
  Mo     -4.119121      2.848590      5.020335
  N      -5.472004      1.744092      5.945915
  C      -5.125468      1.192214      7.256588
  C      -3.613464      1.051646      7.373326
  N      -2.945567      2.256673      6.811550
  C      -1.569426      1.965279      6.330042
  C      -1.636721      1.227813      5.000981
  C      -2.975664      3.406383      7.754672
  C      -2.905530      4.711199      6.971309
  N      -3.832410      4.638486      5.846391
  H      -0.639022      1.263936      4.522203
  H      -1.858708      0.151625      5.163545
  H      -1.069619      2.931732      6.177405
  H      -1.002916      1.396421      7.089202
  H      -3.175228      5.541968      7.650008
  H      -1.864194      4.906827      6.645342
  H      -3.936996      3.362835      8.284582
  H      -2.161588      3.318991      8.496542
  H      -5.573892      0.192258      7.404412
  H      -5.525128      1.829680      8.072456
  H      -3.285167      0.193739      6.770068
  H      -3.294362      0.882133      8.417480
  C      -2.617985      1.394622      2.768968
  C      -3.255933     -0.001998      2.564469
  C      -4.419311     -0.024403      1.600202
  N      -4.518643      0.967564      0.728322
  C      -5.572498      0.957893     -0.129184
  N      -6.538732      0.065812     -0.206274
  C      -6.455525     -0.978871      0.672399
  C      -7.466496     -1.971526      0.654121
  C      -7.408678     -3.036170      1.528320
  C      -6.339028     -3.154677      2.445837
  C      -5.343841     -2.199017      2.488412
  C      -5.382289     -1.085068      1.612236
  C      -4.405133      5.909234      5.439930
  C      -3.457600      6.786893      4.580074
  C      -3.200033      6.151162      3.244277
  N      -4.182142      6.258429      2.355529
  C      -4.023808      5.628595      1.163427
  N      -2.974429      4.946560      0.745146
  C      -1.935692      4.846691      1.629580
  C      -0.776481      4.127509      1.249196
  C       0.276564      3.987947      2.130679
  C       0.215174      4.566099      3.419062
  C      -0.901435      5.277976      3.811792
  C      -2.001176      5.433995      2.933265
  C      -6.826567      1.436404      5.510590
  C      -6.888864      0.092891      4.745902
  C      -8.093256     -0.021874      3.856634
  N      -8.212337      0.934382      2.941704
  C      -9.249372      0.861678      2.073903
  N     -10.179311     -0.073238      2.009956
  C     -10.083497     -1.070493      2.939425
  C     -11.027653     -2.127221      2.908523
  C     -10.944513     -3.160448      3.817916
  C      -9.926242     -3.174140      4.800417
  C      -8.995633     -2.157167      4.855176
  C      -9.043429     -1.087541      3.925148
  H      -3.150585      2.114734      2.136721
  H      -1.572310      1.384592      2.412272
  H      -3.589423     -0.384735      3.541466
  H      -2.510039     -0.728966      2.198219
  H      -5.614643      1.799952     -0.827070
  H      -8.286716     -1.853867     -0.054897
  H      -8.199938     -3.788058      1.526339
  H      -6.309636     -4.003276      3.131123
  H      -4.526469     -2.296922      3.203590
  H      -5.311136      5.722696      4.846295
  H      -4.707080      6.497112      6.329207
  H      -3.964024      7.747588      4.403776
  H      -2.528839      6.990455      5.129726
  H      -4.877390      5.694384      0.481209
  H      -0.755636      3.685681      0.251957
  H       1.165649      3.428771      1.833131
  H       1.058055      4.452105      4.103068
  H      -0.936588      5.720851      4.807046
  H      -7.519707      1.406423      6.373138
  H      -7.179932      2.220995      4.830206
  H      -6.008625      0.078549      4.085681
  H      -6.799297     -0.757837      5.432719
  H      -9.295685      1.670402      1.336618
  H     -11.805413     -2.094171      2.144231
  H     -11.667963     -3.976873      3.782522
  H      -9.878778     -3.995880      5.516870
  H      -8.210924     -2.181649      5.611375
  N      -5.219663      3.344209      3.467899
  N      -5.902631      3.618722      2.592039
88
Coordinates from ORCA-job orca E -6140.055709370336
  N      -2.656140      1.885603      4.117928
  Mo     -4.129825      2.876099      5.001167
  N      -5.484831      1.765562      5.914379
  C      -5.135950      1.191548      7.215332
  C      -3.623721      1.047731      7.327302
  N      -2.955112      2.259919      6.781719
  C      -1.580193      1.974442      6.293795
  C      -1.649711      1.250448      4.957283
  C      -2.982830      3.396934      7.740595
  C      -2.910011      4.712775      6.975710
  N      -3.832791      4.656004      5.846882
  H      -0.654527      1.297115      4.474219
  H      -1.866009      0.171486      5.108901
  H      -1.081977      2.942889      6.149631
  H      -1.010436      1.398886      7.045481
  H      -3.182958      5.534160      7.664672
  H      -1.867624      4.913532      6.655981
  H      -3.943769      3.347128      8.270608
  H      -2.168772      3.297873      8.481146
  H      -5.584593      0.189574      7.347683
  H      -5.533996      1.815638      8.042180
  H      -3.297417      0.197934      6.711622
  H      -3.302608      0.863535      8.368340
  C      -2.656383      1.413192      2.737663
  C      -3.289920      0.012543      2.548730
  C      -4.457403     -0.025568      1.590277
  N      -4.578144      0.965889      0.720453
  C      -5.636357      0.939069     -0.131550
  N      -6.587621      0.030783     -0.205360
  C      -6.483235     -1.012640      0.672516
  C      -7.478727     -2.020946      0.659699
  C      -7.400557     -3.083652      1.534655
  C      -6.324928     -3.184492      2.447271
  C      -5.343862     -2.214074      2.483559
  C      -5.403611     -1.101468      1.606821
  C      -4.390309      5.935348      5.445055
  C      -3.425001      6.806737      4.600926
  C      -3.154637      6.168805      3.268486
  N      -4.126477      6.278972      2.368760
  C      -3.956645      5.648045      1.178839
  N      -2.906378      4.958843      0.774655
  C      -1.878980      4.854981      1.671240
  C      -0.719452      4.128604      1.305849
  C       0.322863      3.985798      2.199476
  C       0.249802      4.567830      3.485717
  C      -0.867364      5.286547      3.863906
  C      -1.956120      5.446140      2.972513
  C      -6.838842      1.459109      5.477109
  C      -6.900163      0.110111      4.723329
  C      -8.109919     -0.021349      3.844410
  N      -8.247213      0.925991      2.922415
  C      -9.291768      0.833855      2.064862
  N     -10.211976     -0.111580      2.018017
  C     -10.097269     -1.099488      2.955199
  C     -11.032276     -2.164696      2.944626
  C     -10.930803     -3.187617      3.863816
  C      -9.901754     -3.182707      4.835034
  C      -8.979619     -2.157224      4.869531
  C      -9.047523     -1.096834      3.930390
  H      -3.200611      2.128283      2.109594
  H      -1.615394      1.404971      2.367295
  H      -3.617496     -0.363252      3.530501
  H      -2.542918     -0.715095      2.185937
  H      -5.696499      1.780659     -0.828656
  H      -8.303814     -1.916173     -0.045718
  H      -8.180204     -3.847596      1.536575
  H      -6.279161     -4.031494      3.133667
  H      -4.521885     -2.297978      3.195140
  H      -5.292850      5.762022      4.842111
  H      -4.693536      6.518388      6.337040
  H      -3.918877      7.772673      4.417306
  H      -2.502750      7.000932      5.164466
  H      -4.799956      5.720507      0.484860
  H      -0.689022      3.685316      0.309503
  H       1.212311      3.421315      1.913318
  H       1.084107      4.451316      4.179752
  H      -0.910155      5.732883      4.857384
  H      -7.535374      1.438307      6.337515
  H      -7.186648      2.239479      4.789198
  H      -6.023985      0.095237      4.057997
  H      -6.801584     -0.734538      5.416212
  H      -9.354841      1.635515      1.321544
  H     -11.818143     -2.145857      2.188190
  H     -11.648328     -4.009762      3.845413
  H      -9.839184     -3.997076      5.558710
  H      -8.186657     -2.168106      5.617337
  N      -5.228935      3.387363      3.453101
  N      -5.911640      3.671599      2.579878
88
Coordinates from ORCA-job orca E -6140.056078389365
  N      -2.687749      1.920726      4.073087
  Mo     -4.150094      2.906614      4.979102
  N      -5.498963      1.783064      5.883705
  C      -5.139010      1.187977      7.172732
  C      -3.625400      1.046765      7.272099
  N      -2.963057      2.269107      6.741545
  C      -1.590782      1.996173      6.240044
  C      -1.665631      1.287540      4.895211
  C      -2.989389      3.391740      7.717213
  C      -2.921957      4.719691      6.972831
  N      -3.844217      4.676809      5.843414
  H      -0.675854      1.351615      4.403204
  H      -1.868972      0.204392      5.034777
  H      -1.099079      2.969065      6.103801
  H      -1.011673      1.415074      6.980265
  H      -3.198508      5.529671      7.673925
  H      -1.879953      4.929309      6.657055
  H      -3.947819      3.330992      8.250578
  H      -2.172230      3.283875      8.453204
  H      -5.583415      0.182562      7.291873
  H      -5.532978      1.797158      8.012530
  H      -3.301308      0.207953      6.640517
  H      -3.296283      0.847057      8.307761
  C      -2.708447      1.446598      2.693004
  C      -3.335037      0.041650      2.515901
  C      -4.510270     -0.012335      1.567616
  N      -4.656755      0.977058      0.699251
  C      -5.722323      0.930565     -0.143254
  N      -6.657481      0.005081     -0.208787
  C      -6.527423     -1.035423      0.669098
  C      -7.505953     -2.060253      0.667602
  C      -7.401835     -3.119555      1.544114
  C      -6.316557     -3.199995      2.447174
  C      -5.351492     -2.213390      2.471853
  C      -5.437849     -1.104212      1.593180
  C      -4.381468      5.964374      5.441214
  C      -3.394615      6.825179      4.612854
  C      -3.100117      6.175025      3.291458
  N      -4.055592      6.274942      2.373064
  C      -3.864263      5.628805      1.194672
  N      -2.809955      4.928451      0.820966
  C      -1.799605      4.834884      1.737053
  C      -0.635388      4.100528      1.403387
  C       0.392280      3.972904      2.315916
  C       0.299491      4.578249      3.590340
  C      -0.822746      5.303940      3.938135
  C      -1.897545      5.447963      3.026849
  C      -6.852286      1.471746      5.448785
  C      -6.908760      0.120034      4.700687
  C      -8.125421     -0.028639      3.834855
  N      -8.283586      0.910519      2.907506
  C      -9.337537      0.799580      2.063163
  N     -10.247362     -0.156752      2.034814
  C     -10.110874     -1.136088      2.978030
  C     -11.035405     -2.210410      2.988465
  C     -10.912293     -3.224166      3.915309
  C      -9.870159     -3.201116      4.872170
  C      -8.957778     -2.166487      4.885599
  C      -9.049247     -1.114283      3.939508
  H      -3.267851      2.157932      2.074211
  H      -1.673939      1.443684      2.304856
  H      -3.652588     -0.331557      3.502008
  H      -2.586401     -0.683695      2.151769
  H      -5.805239      1.771361     -0.838958
  H      -8.338772     -1.970404     -0.030767
  H      -8.168658     -3.896224      1.554226
  H      -6.250440     -4.044154      3.135416
  H      -4.522102     -2.280866      3.176554
  H      -5.278485      5.803170      4.826824
  H      -4.687782      6.547147      6.332442
  H      -3.876220      7.794114      4.412538
  H      -2.482703      7.014948      5.194028
  H      -4.693738      5.693864      0.483641
  H      -0.588583      3.641041      0.415062
  H       1.285715      3.403053      2.053844
  H       1.122658      4.474007      4.299506
  H      -0.879048      5.769545      4.922026
  H      -7.549472      1.453749      6.308985
  H      -7.200280      2.248464      4.756954
  H      -6.038641      0.111285      4.027614
  H      -6.795254     -0.720867      5.395541
  H      -9.418545      1.593453      1.313605
  H     -11.831008     -2.205373      2.242047
  H     -11.622948     -4.052507      3.914421
  H      -9.789611     -4.009069      5.601245
  H      -8.154877     -2.164056      5.622822
  N      -5.255838      3.428555      3.440476
  N      -5.941779      3.719009      2.571654
88
Coordinates from ORCA-job orca E -6140.056376779025
  N      -2.721007      1.950691      4.032567
  Mo     -4.169691      2.936502      4.959787
  N      -5.515995      1.803694      5.855364
  C      -5.147678      1.189513      7.133517
  C      -3.633696      1.045409      7.220970
  N      -2.973639      2.275253      6.705555
  C      -1.604551      2.010752      6.191747
  C      -1.686222      1.317085      4.839214
  C      -2.997196      3.382851      7.698008
  C      -2.930839      4.722116      6.974181
  N      -3.850675      4.695704      5.842615
  H      -0.701418      1.394946      4.339602
  H      -1.880237      0.230851      4.967392
  H      -1.116051      2.986398      6.063380
  H      -1.018821      1.422469      6.921058
  H      -3.209569      5.521431      7.686744
  H      -1.888438      4.937149      6.664366
  H      -3.954174      3.313493      8.232912
  H      -2.178433      3.264299      8.430563
  H      -5.591761      0.182814      7.241476
  H      -5.535263      1.787003      7.984560
  H      -3.314469      0.216648      6.573891
  H      -3.298115      0.829264      8.251267
  C      -2.761989      1.473321      2.653641
  C      -3.380290      0.063501      2.490912
  C      -4.561911     -0.008064      1.552003
  N      -4.734780      0.979846      0.687016
  C      -5.806460      0.913360     -0.146902
  N      -6.723631     -0.030363     -0.206321
  C      -6.567363     -1.068596      0.670061
  C      -7.526552     -2.111569      0.676813
  C      -7.394868     -3.168819      1.552199
  C      -6.300716     -3.228745      2.446031
  C      -5.354138     -2.224228      2.462292
  C      -5.468790     -1.117217      1.584298
  C      -4.366956      5.992243      5.441269
  C      -3.359449      6.845192      4.629356
  C      -3.044084      6.187025      3.316521
  N      -3.986299      6.279026      2.383575
  C      -3.780686      5.617328      1.216627
  N      -2.725482      4.904913      0.868520
  C      -1.726686      4.822770      1.797675
  C      -0.560670      4.080089      1.489025
  C       0.457961      3.967948      2.413365
  C       0.354943      4.598771      3.674677
  C      -0.769467      5.331994      3.998650
  C      -1.837567      5.457614      3.075952
  C      -6.868341      1.489949      5.420310
  C      -6.918615      0.138536      4.672296
  C      -8.144154     -0.027485      3.823055
  N      -8.325937      0.905522      2.893715
  C      -9.388822      0.775587      2.062954
  N     -10.285932     -0.193147      2.051058
  C     -10.125088     -1.165876      2.997315
  C     -11.036442     -2.251070      3.026133
  C     -10.889915     -3.256838      3.958356
  C      -9.835650     -3.215219      4.901183
  C      -8.935233     -2.170076      4.895803
  C      -9.051930     -1.124896      3.944842
  H      -3.337190      2.179554      2.043315
  H      -1.734447      1.476069      2.247443
  H      -3.689030     -0.304957      3.481698
  H      -2.629409     -0.660062      2.127822
  H      -5.911384      1.752742     -0.841292
  H      -8.366192     -2.037130     -0.015213
  H      -8.146796     -3.959714      1.567661
  H      -6.212639     -4.071765      3.133219
  H      -4.517608     -2.275901      3.159834
  H      -5.258314      5.843983      4.815633
  H      -4.676697      6.574280      6.332039
  H      -3.829970      7.817074      4.417547
  H      -2.456496      7.029764      5.225766
  H      -4.598160      5.678720      0.491454
  H      -0.504060      3.604149      0.509013
  H       1.353843      3.393704      2.169706
  H       1.172927      4.509889      4.391907
  H      -0.830990      5.820365      4.970844
  H      -7.566874      1.471148      6.279453
  H      -7.216262      2.265756      4.727427
  H      -6.057158      0.141509      3.988328
  H      -6.784438     -0.701010      5.364883
  H      -9.491225      1.564300      1.310672
  H     -11.841501     -2.259923      2.289944
  H     -11.591556     -4.092789      3.972856
  H      -9.736246     -4.017406      5.634282
  H      -8.123482     -2.153833      5.623202
  N      -5.280055      3.468298      3.429315
  N      -5.967072      3.764034      2.562853
88
Coordinates from ORCA-job orca E -6140.056620817169
  N      -2.737140      1.962524      4.019935
  Mo     -4.178534      2.954536      4.952643
  N      -5.531910      1.821918      5.839114
  C      -5.166299      1.201282      7.115211
  C      -3.653349      1.047409      7.201618
  N      -2.986151      2.276884      6.695171
  C      -1.618334      2.009457      6.180040
  C      -1.702633      1.323988      4.823478
  C      -3.005084      3.377693      7.694494
  C      -2.928820      4.720495      6.978641
  N      -3.846433      4.706285      5.845359
  H      -0.718091      1.402987      4.323616
  H      -1.897664      0.237368      4.946556
  H      -1.125440      2.983833      6.058034
  H      -1.035623      1.413594      6.905633
  H      -3.203451      5.518045      7.694794
  H      -1.883977      4.929524      6.672855
  H      -3.963559      3.311061      8.227067
  H      -2.188419      3.250236      8.427809
  H      -5.616296      0.196949      7.220027
  H      -5.549390      1.798156      7.968659
  H      -3.339287      0.222122      6.547637
  H      -3.319221      0.821101      8.230269
  C      -2.783445      1.484736      2.641681
  C      -3.398185      0.073099      2.484116
  C      -4.582298     -0.005617      1.548915
  N      -4.769365      0.983981      0.689130
  C      -5.845782      0.910381     -0.138635
  N      -6.754064     -0.041981     -0.195795
  C      -6.583090     -1.081982      0.675813
  C      -7.532419     -2.133896      0.685461
  C      -7.384766     -3.192676      1.556591
  C      -6.284499     -3.245113      2.443307
  C      -5.347750     -2.231359      2.456983
  C      -5.478611     -1.123362      1.582788
  C      -4.347324      6.009310      5.446245
  C      -3.327299      6.860545      4.646307
  C      -3.009888      6.211717      3.329529
  N      -3.941841      6.327020      2.388775
  C      -3.737511      5.669793      1.219346
  N      -2.694959      4.936003      0.877621
  C      -1.705123      4.831505      1.813715
  C      -0.550836      4.068393      1.510387
  C       0.460960      3.938280      2.439574
  C       0.362859      4.570371      3.700613
  C      -0.750579      5.321849      4.020283
  C      -1.812552      5.465639      3.092793
  C      -6.880629      1.504646      5.395245
  C      -6.920067      0.154618      4.643634
  C      -8.151134     -0.029501      3.806052
  N      -8.349063      0.894361      2.870924
  C      -9.416533      0.746589      2.049012
  N     -10.303236     -0.231686      2.050878
  C     -10.126281     -1.194522      3.004178
  C     -11.027125     -2.287799      3.048586
  C     -10.865982     -3.282911      3.989739
  C      -9.806445     -3.222377      4.925639
  C      -8.915265     -2.169442      4.904335
  C      -9.047277     -1.134696      3.943987
  H      -3.363893      2.189184      2.034813
  H      -1.758583      1.490369      2.228642
  H      -3.705041     -0.292689      3.476510
  H      -2.646151     -0.650291      2.123136
  H      -5.963008      1.751472     -0.828948
  H      -8.376934     -2.065146     -0.001217
  H      -8.128942     -3.990817      1.573634
  H      -6.184048     -4.089972      3.126527
  H      -4.506518     -2.277500      3.149287
  H      -5.236093      5.872612      4.814410
  H      -4.657313      6.590758      6.337493
  H      -3.789669      7.837732      4.441783
  H      -2.425149      7.031686      5.247955
  H      -4.543635      5.756544      0.484314
  H      -0.497040      3.593077      0.529934
  H       1.348273      3.349145      2.200002
  H       1.176618      4.468503      4.420903
  H      -0.807912      5.812475      4.991603
  H      -7.583659      1.479516      6.250398
  H      -7.228589      2.281124      4.702999
  H      -6.065739      0.171458      3.951218
  H      -6.765587     -0.683985      5.333235
  H      -9.533936      1.527397      1.290878
  H     -11.836850     -2.310842      2.317816
  H     -11.560040     -4.124893      4.016754
  H      -9.695699     -4.016047      5.666334
  H      -8.099984     -2.138257      5.627437
  N      -5.280688      3.497287      3.421661
  N      -5.960091      3.798246      2.550694
88
Coordinates from ORCA-job orca E -6140.056819417418
  N      -2.751211      1.977319      4.003148
  Mo     -4.186002      2.974003      4.941424
  N      -5.544696      1.839740      5.818004
  C      -5.181123      1.208416      7.089530
  C      -3.668951      1.047184      7.174279
  N      -2.997654      2.279626      6.680443
  C      -1.630298      2.014296      6.163940
  C      -1.715019      1.336751      4.803532
  C      -3.016589      3.371260      7.689463
  C      -2.933942      4.720069      6.985753
  N      -3.845323      4.717724      5.847398
  H      -0.730886      1.420372      4.303457
  H      -1.908014      0.249228      4.920903
  H      -1.136215      2.988839      6.048592
  H      -1.048592      1.412643      6.885654
  H      -3.211009      5.511750      7.707563
  H      -1.887066      4.929511      6.687769
  H      -3.977013      3.302652      8.218126
  H      -2.202899      3.235146      8.424530
  H      -5.635613      0.205423      7.187639
  H      -5.561185      1.801022      7.947139
  H      -3.358547      0.227734      6.511250
  H      -3.336111      0.808184      8.200534
  C      -2.804503      1.493475      2.627064
  C      -3.416262      0.079443      2.480758
  C      -4.599985     -0.010248      1.545533
  N      -4.797319      0.977279      0.686044
  C      -5.874585      0.894095     -0.140122
  N      -6.774618     -0.065952     -0.195264
  C      -6.593250     -1.103999      0.676625
  C      -7.534505     -2.163053      0.689725
  C      -7.376805     -3.219354      1.562076
  C      -6.274816     -3.261826      2.447291
  C      -5.345707     -2.240792      2.457536
  C      -5.486715     -1.135840      1.581334
  C      -4.332826      6.026303      5.450193
  C      -3.298436      6.874920      4.664753
  C      -2.977104      6.230581      3.346708
  N      -3.899523      6.363036      2.398784
  C      -3.694823      5.709512      1.227497
  N      -2.662516      4.957983      0.893050
  C      -1.681564      4.836145      1.836334
  C      -0.538457      4.053535      1.540417
  C       0.465218      3.906681      2.475814
  C       0.370479      4.542036      3.735426
  C      -0.732505      5.311754      4.048118
  C      -1.787385      5.470611      3.115250
  C      -6.890710      1.521999      5.366444
  C      -6.918551      0.180336      4.600110
  C      -8.162047     -0.021135      3.785655
  N      -8.388811      0.900303      2.854541
  C      -9.468641      0.737385      2.051760
  N     -10.341295     -0.253282      2.068935
  C     -10.135273     -1.212582      3.020053
  C     -11.022599     -2.315954      3.083274
  C     -10.834603     -3.305270      4.025561
  C      -9.759551     -3.229757      4.942570
  C      -8.880124     -2.167416      4.901933
  C      -9.041115     -1.137528      3.940924
  H      -3.391121      2.193419      2.021007
  H      -1.782421      1.500906      2.207013
  H      -3.724993     -0.277153      3.476102
  H      -2.662867     -0.646920      2.128894
  H      -5.999794      1.733781     -0.830688
  H      -8.380776     -2.101886      0.004456
  H      -8.114020     -4.023812      1.580453
  H      -6.166365     -4.105303      3.131008
  H      -4.503210     -2.279534      3.148778
  H      -5.216359      5.900108      4.808950
  H      -4.647056      6.605969      6.341133
  H      -3.751343      7.857122      4.463976
  H      -2.399733      7.034085      5.274708
  H      -4.491104      5.815316      0.484333
  H      -0.486147      3.578068      0.559945
  H       1.344197      3.302905      2.242065
  H       1.178858      4.428355      4.459973
  H      -0.786973      5.805560      5.018036
  H      -7.596078      1.483312      6.219161
  H      -7.241282      2.304050      4.681688
  H      -6.079111      0.222353      3.891195
  H      -6.731148     -0.661543      5.277701
  H      -9.611948      1.516460      1.296345
  H     -11.845072     -2.350282      2.367309
  H     -11.519974     -4.153738      4.068933
  H      -9.627830     -4.019053      5.684504
  H      -8.053562     -2.124601      5.611631
  N      -5.281808      3.527131      3.410524
  N      -5.953578      3.832119      2.534713
88
Coordinates from ORCA-job orca E -6140.056979168005
  N      -2.769439      1.990751      3.989065
  Mo     -4.197581      2.992924      4.931662
  N      -5.560724      1.858778      5.803945
  C      -5.197784      1.219489      7.071496
  C      -3.686115      1.051660      7.153402
  N      -3.011289      2.285503      6.667578
  C      -1.644703      2.020716      6.148658
  C      -1.731577      1.348551      4.785810
  C      -3.027765      3.371281      7.682691
  C      -2.938869      4.723818      6.986870
  N      -3.846751      4.730423      5.845820
  H      -0.748423      1.434494      4.284040
  H      -1.923587      0.260539      4.899935
  H      -1.149554      2.995066      6.037269
  H      -1.063288      1.414793      6.867078
  H      -3.216264      5.511986      7.712435
  H      -1.890527      4.932348      6.693301
  H      -3.989535      3.303464      8.208938
  H      -2.216142      3.227804      8.418612
  H      -5.656999      0.218193      7.165480
  H      -5.573875      1.809475      7.932578
  H      -3.379933      0.236131      6.483721
  H      -3.353374      0.803190      8.177488
  C      -2.828491      1.507337      2.613289
  C      -3.433704      0.090237      2.470300
  C      -4.621124     -0.005971      1.540189
  N      -4.835437      0.986206      0.690343
  C      -5.919054      0.899139     -0.127347
  N      -6.811304     -0.068055     -0.180836
  C      -6.612864     -1.110675      0.681862
  C      -7.545964     -2.176894      0.697603
  C      -7.370929     -3.237842      1.560984
  C      -6.259239     -3.278135      2.434090
  C      -5.337850     -2.250012      2.441769
  C      -5.496809     -1.140351      1.574855
  C      -4.318362      6.044328      5.448783
  C      -3.268384      6.884893      4.675074
  C      -2.942662      6.240524      3.358435
  N      -3.853503      6.388145      2.401686
  C      -3.646266      5.735684      1.230225
  N      -2.623292      4.967525      0.905139
  C      -1.654599      4.827992      1.858611
  C      -0.521811      4.026834      1.573179
  C       0.470390      3.863214      2.518004
  C       0.374166      4.499839      3.776850
  C      -0.719013      5.287443      4.079233
  C      -1.762273      5.463393      3.136838
  C      -6.904243      1.539875      5.346380
  C      -6.917461      0.208954      4.561476
  C      -8.170914     -0.013241      3.768478
  N      -8.423178      0.900240      2.835750
  C      -9.510639      0.716570      2.047988
  N     -10.366824     -0.287899      2.079694
  C     -10.135042     -1.238283      3.033716
  C     -11.003943     -2.355076      3.112626
  C     -10.790684     -3.335210      4.059083
  C      -9.707969     -3.236725      4.964828
  C      -8.845155     -2.161400      4.908150
  C      -9.032124     -1.140769      3.942021
  H      -3.423179      2.204381      2.011673
  H      -1.809513      1.521498      2.186034
  H      -3.738452     -0.266032      3.467124
  H      -2.678155     -0.633471      2.117844
  H      -6.057639      1.742875     -0.810364
  H      -8.400122     -2.117741      0.022017
  H      -8.102184     -4.047726      1.582295
  H      -6.137700     -4.125316      3.110956
  H      -4.488246     -2.287133      3.124351
  H      -5.196881      5.929389      4.798657
  H      -4.634730      6.625421      6.338115
  H      -3.710982      7.871723      4.474248
  H      -2.373712      7.033240      5.293467
  H      -4.430754      5.859332      0.477560
  H      -0.468037      3.551393      0.592789
  H       1.341325      3.244749      2.292801
  H       1.173685      4.372648      4.508961
  H      -0.775034      5.782306      5.048661
  H      -7.610296      1.482224      6.197435
  H      -7.260824      2.328744      4.672548
  H      -6.093993      0.280084      3.836749
  H      -6.694576     -0.635680      5.225018
  H      -9.677055      1.489249      1.290946
  H     -11.833153     -2.407216      2.405560
  H     -11.461538     -4.194444      4.114438
  H      -9.556190     -4.019119      5.710233
  H      -8.011954     -2.101158      5.608712
  N      -5.290625      3.559921      3.403898
  N      -5.957238      3.872153      2.526665
88
Coordinates from ORCA-job orca E -6140.057096038167
  N      -2.782977      1.999228      3.982488
  Mo     -4.205109      3.007432      4.927186
  N      -5.574996      1.875656      5.792532
  C      -5.215384      1.225706      7.055483
  C      -3.704398      1.050748      7.136711
  N      -3.024850      2.285989      6.661578
  C      -1.658234      2.022122      6.142408
  C      -1.744467      1.355222      4.777023
  C      -3.040835      3.364902      7.683584
  C      -2.945020      4.722057      6.997508
  N      -3.845300      4.738975      5.850421
  H      -0.761604      1.444216      4.275295
  H      -1.935751      0.266729      4.887215
  H      -1.162764      2.996723      6.035205
  H      -1.077439      1.412789      6.858561
  H      -3.226678      5.504860      7.727254
  H      -1.894529      4.931503      6.712816
  H      -4.004408      3.296889      8.206430
  H      -2.232193      3.213577      8.421216
  H      -5.679579      0.226049      7.142423
  H      -5.589102      1.811474      7.920441
  H      -3.401684      0.239976      6.459816
  H      -3.373299      0.791369      8.158673
  C      -2.848993      1.511128      2.608423
  C      -3.454801      0.093767      2.474063
  C      -4.635103     -0.010921      1.535602
  N      -4.853219      0.978860      0.683999
  C      -5.933617      0.883649     -0.137467
  N      -6.820425     -0.088471     -0.191238
  C      -6.617691     -1.128776      0.673384
  C      -7.544670     -2.200299      0.689171
  C      -7.364222     -3.259540      1.553586
  C      -6.253736     -3.292264      2.428553
  C      -5.338671     -2.258449      2.436830
  C      -5.502821     -1.151386      1.567894
  C      -4.302351      6.057994      5.453625
  C      -3.240030      6.893187      4.689245
  C      -2.914081      6.253956      3.370309
  N      -3.817434      6.419086      2.409295
  C      -3.609717      5.774913      1.233303
  N      -2.594038      4.996866      0.908629
  C      -1.634477      4.836661      1.867958
  C      -0.511103      4.021618      1.584520
  C       0.472440      3.837678      2.534618
  C       0.377456      4.468347      3.796590
  C      -0.706416      5.269499      4.096741
  C      -1.741834      5.464615      3.149709
  C      -6.916055      1.557663      5.326790
  C      -6.916013      0.241591      4.517774
  C      -8.180419     -0.000717      3.749274
  N      -8.463119      0.908738      2.820944
  C      -9.560559      0.706602      2.051983
  N     -10.399383     -0.311843      2.097540
  C     -10.138675     -1.255722      3.050514
  C     -10.991484     -2.383305      3.148310
  C     -10.751967     -3.354562      4.097642
  C      -9.656744     -3.237333      4.986008
  C      -8.807873     -2.151947      4.909715
  C      -9.023022     -1.139310      3.941031
  H      -3.447678      2.205686      2.007790
  H      -1.832371      1.524927      2.175687
  H      -3.771553     -0.249813      3.471906
  H      -2.697741     -0.636262      2.138577
  H      -6.074639      1.725194     -0.822668
  H      -8.398178     -2.147354      0.012231
  H      -8.089533     -4.074602      1.573722
  H      -6.127624     -4.138455      3.105847
  H      -4.489914     -2.289730      3.120867
  H      -5.177048      5.953114      4.796678
  H      -4.620398      6.639164      6.342288
  H      -3.673374      7.884774      4.491921
  H      -2.347849      7.030599      5.313672
  H      -4.386448      5.916409      0.475812
  H      -0.457573      3.552391      0.601133
  H       1.335929      3.208247      2.311168
  H       1.170407      4.325245      4.532896
  H      -0.761500      5.759940      5.068402
  H      -7.622882      1.478228      6.175295
  H      -7.277763      2.356728      4.667622
  H      -6.111772      0.345095      3.775951
  H      -6.655165     -0.606502      5.163253
  H      -9.753207      1.475914      1.297714
  H     -11.831258     -2.449996      2.455072
  H     -11.412054     -4.221001      4.169690
  H      -9.484273     -4.012950      5.733994
  H      -7.965297     -2.076680      5.597552
  N      -5.291684      3.584958      3.398749
  N      -5.950498      3.900475      2.516658
88
Coordinates from ORCA-job orca E -6140.057165355209
  N      -2.801762      2.005185      3.976284
  Mo     -4.216262      3.021521      4.922663
  N      -5.593270      1.894378      5.784839
  C      -5.236530      1.232156      7.041872
  C      -3.726179      1.050639      7.122145
  N      -3.041787      2.285912      6.654733
  C      -1.675542      2.020558      6.135236
  C      -1.762801      1.358310      4.767578
  C      -3.055592      3.359922      7.682032
  C      -2.950710      4.720222      7.003468
  N      -3.844700      4.747588      5.851584
  H      -0.780448      1.448291      4.265199
  H      -1.954977      0.269587      4.874097
  H      -1.178466      2.994585      6.030903
  H      -1.095885      1.407983      6.849515
  H      -3.233058      5.500468      7.735785
  H      -1.898132      4.927355      6.725199
  H      -4.021302      3.293998      8.201242
  H      -2.250497      3.200397      8.421762
  H      -5.705431      0.233993      7.119901
  H      -5.607855      1.811855      7.911966
  H      -3.426724      0.243038      6.440077
  H      -3.396129      0.783299      8.142415
  C      -2.873354      1.519052      2.601726
  C      -3.471923      0.098492      2.469174
  C      -4.654233     -0.013824      1.534318
  N      -4.884189      0.976493      0.686449
  C      -5.967476      0.874538     -0.130422
  N      -6.847515     -0.103780     -0.181679
  C      -6.633424     -1.144102      0.680182
  C      -7.554734     -2.220399      0.700875
  C      -7.363666     -3.279249      1.563539
  C      -6.247481     -3.306931      2.431275
  C      -5.338040     -2.268148      2.435244
  C      -5.513447     -1.160945      1.568580
  C      -4.286207      6.072443      5.455654
  C      -3.210744      6.898362      4.700096
  C      -2.883833      6.261160      3.380492
  N      -3.778254      6.443167      2.414169
  C      -3.568758      5.805465      1.234960
  N      -2.560304      5.017198      0.912484
  C      -1.610609      4.837906      1.878238
  C      -0.495022      4.011254      1.597614
  C       0.479620      3.809829      2.553324
  C       0.383070      4.433623      3.818632
  C      -0.693750      5.245110      4.116303
  C      -1.719867      5.458858      3.163229
  C      -6.931852      1.578305      5.311126
  C      -6.915220      0.280922      4.472840
  C      -8.186995      0.017711      3.725144
  N      -8.499033      0.919544      2.798273
  C      -9.605828      0.696823      2.048735
  N     -10.426158     -0.335739      2.109052
  C     -10.135323     -1.271894      3.060770
  C     -10.965273     -2.415006      3.172357
  C     -10.694659     -3.379364      4.120382
  C      -9.590837     -3.238724      4.994450
  C      -8.763312     -2.138022      4.904065
  C      -9.009380     -1.132573      3.935057
  H      -3.479964      2.211104      2.005851
  H      -1.859420      1.539050      2.162840
  H      -3.784834     -0.246331      3.467799
  H      -2.711700     -0.627723      2.132658
  H      -6.116941      1.715522     -0.814483
  H      -8.412980     -2.171637      0.029643
  H      -8.085104     -4.097734      1.588693
  H      -6.112942     -4.152868      3.107263
  H      -4.484864     -2.295542      3.113837
  H      -5.157522      5.978522      4.792577
  H      -4.603940      6.654037      6.344136
  H      -3.632407      7.895161      4.503259
  H      -2.321235      7.024976      5.330599
  H      -4.336729      5.963722      0.471958
  H      -0.439917      3.548253      0.611345
  H       1.337469      3.172082      2.331732
  H       1.168959      4.276473      4.559617
  H      -0.750100      5.729847      5.090711
  H      -7.638744      1.471886      6.156522
  H      -7.300504      2.389500      4.670585
  H      -6.129050      0.421572      3.718207
  H      -6.619429     -0.571608      5.097618
  H      -9.825259      1.460882      1.296609
  H     -11.812578     -2.499883      2.490401
  H     -11.336140     -4.258683      4.202545
  H      -9.393410     -4.009007      5.741775
  H      -7.912206     -2.044788      5.578874
  N      -5.299902      3.617824      3.398169
  N      -5.954964      3.946109      2.518076
88
Coordinates from ORCA-job orca E -6140.057204616082
  N      -2.808767      2.003080      3.978792
  Mo     -4.223655      3.021401      4.921660
  N      -5.607021      1.898515      5.780029
  C      -5.254340      1.230667      7.035205
  C      -3.744360      1.046319      7.118650
  N      -3.056158      2.280905      6.655671
  C      -1.688880      2.013839      6.140011
  C      -1.772595      1.353340      4.771204
  C      -3.070984      3.354059      7.683550
  C      -2.960092      4.715245      7.007457
  N      -3.847817      4.746604      5.850643
  H      -0.788832      1.443213      4.271769
  H      -1.966268      0.264715      4.875528
  H      -1.191114      2.987717      6.037676
  H      -1.111691      1.400305      6.855452
  H      -3.245595      5.494487      7.739617
  H      -1.905182      4.921326      6.736433
  H      -4.038481      3.290066      8.199710
  H      -2.268787      3.191764      8.425836
  H      -5.725438      0.233149      7.107588
  H      -5.626493      1.807379      7.906953
  H      -3.445113      0.240160      6.434857
  H      -3.417004      0.775246      8.138866
  C      -2.877782      1.522663      2.602067
  C      -3.476410      0.102993      2.464948
  C      -4.647805     -0.009851      1.516910
  N      -4.870288      0.979731      0.666105
  C      -5.950142      0.879201     -0.155852
  N      -6.835019     -0.094815     -0.206389
  C      -6.628925     -1.133676      0.659295
  C      -7.555263     -2.205543      0.680542
  C      -7.370330     -3.263792      1.545381
  C      -6.256286     -3.294568      2.415658
  C      -5.342644     -2.259583      2.419900
  C      -5.510978     -1.153932      1.549957
  C      -4.280888      6.072787      5.451472
  C      -3.200184      6.895081      4.699404
  C      -2.868520      6.259162      3.380569
  N      -3.755664      6.447670      2.408520
  C      -3.538506      5.814400      1.228190
  N      -2.530288      5.024246      0.909682
  C      -1.589261      4.836764      1.882029
  C      -0.473207      4.008925      1.606004
  C       0.495907      3.805023      2.566538
  C       0.392608      4.425696      3.833016
  C      -0.685635      5.236266      4.127118
  C      -1.705844      5.453911      3.168316
  C      -6.944278      1.583471      5.299918
  C      -6.918036      0.304550      4.433728
  C      -8.199491      0.023144      3.710025
  N      -8.541180      0.916888      2.785451
  C      -9.659545      0.676369      2.059011
  N     -10.465782     -0.365950      2.139486
  C     -10.145707     -1.293106      3.090475
  C     -10.961621     -2.443674      3.226320
  C     -10.663932     -3.397521      4.176864
  C      -9.545079     -3.239051      5.028463
  C      -8.730528     -2.131021      4.913691
  C      -9.004793     -1.135223      3.942059
  H      -3.484724      2.216924      2.009266
  H      -1.863744      1.544702      2.163386
  H      -3.805257     -0.236323      3.460276
  H      -2.713595     -0.626919      2.142811
  H      -6.093772      1.719004     -0.842594
  H      -8.411763     -2.154725      0.007204
  H      -8.094526     -4.079679      1.570039
  H      -6.126761     -4.139813      3.093491
  H      -4.491231     -2.288922      3.100673
  H      -5.150037      5.981642      4.785132
  H      -4.599798      6.656634      6.337995
  H      -3.619317      7.892612      4.500792
  H      -2.312864      7.020474      5.333355
  H      -4.297991      5.981474      0.458618
  H      -0.412869      3.548190      0.618990
  H       1.354541      3.167250      2.348100
  H       1.174187      4.266038      4.578018
  H      -0.747311      5.718606      5.102439
  H      -7.648420      1.451368      6.143707
  H      -7.321394      2.406924      4.679817
  H      -6.151831      0.478054      3.665803
  H      -6.590983     -0.551683      5.037932
  H      -9.905311      1.434954      1.309423
  H     -11.821211     -2.542243      2.561828
  H     -11.295615     -4.281894      4.279190
  H      -9.326114     -4.000664      5.778662
  H      -7.868094     -2.022412      5.571401
  N      -5.299208      3.623960      3.393498
  N      -5.947404      3.954839      2.509334
88
Coordinates from ORCA-job orca E -6140.057258723644
  N      -2.824198      2.003530      3.973358
  Mo     -4.235521      3.025802      4.916244
  N      -5.624886      1.908991      5.773067
  C      -5.274050      1.228592      7.021906
  C      -3.764205      1.041395      7.105262
  N      -3.073343      2.276574      6.648251
  C      -1.705476      2.009762      6.134490
  C      -1.787184      1.352550      4.763711
  C      -3.090368      3.346405      7.679664
  C      -2.972791      4.709866      7.009517
  N      -3.852717      4.748584      5.846912
  H      -0.803126      1.445511      4.265483
  H      -1.979629      0.263402      4.863968
  H      -1.207487      2.983825      6.034541
  H      -1.129283      1.395005      6.849665
  H      -3.260741      5.487062      7.742979
  H      -1.915686      4.914609      6.746067
  H      -4.060312      3.282204      8.191231
  H      -2.292186      3.179600      8.425291
  H      -5.746588      0.231009      7.083064
  H      -5.646271      1.796957      7.899077
  H      -3.465938      0.237857      6.417928
  H      -3.437735      0.765152      8.124375
  C      -2.893282      1.529109      2.594280
  C      -3.482120      0.105779      2.451813
  C      -4.654657     -0.011072      1.505971
  N      -4.879768      0.976591      0.653498
  C      -5.961524      0.873205     -0.165730
  N      -6.847040     -0.100443     -0.210345
  C      -6.638305     -1.137264      0.657149
  C      -7.565892     -2.207863      0.685301
  C      -7.377599     -3.264920      1.550828
  C      -6.258454     -3.295840      2.414470
  C      -5.343915     -2.261696      2.412507
  C      -5.516175     -1.156487      1.542687
  C      -4.275432      6.078174      5.446676
  C      -3.184476      6.893763      4.703164
  C      -2.844686      6.256567      3.386674
  N      -3.723943      6.448691      2.408021
  C      -3.499911      5.815196      1.229192
  N      -2.493310      5.019767      0.918779
  C      -1.559760      4.829171      1.897615
  C      -0.444952      3.996799      1.629821
  C       0.517576      3.791194      2.596522
  C       0.408557      4.414201      3.861455
  C      -0.669119      5.228183      4.148042
  C      -1.682969      5.447741      3.182652
  C      -6.962197      1.598881      5.289039
  C      -6.923973      0.348360      4.383219
  C      -8.215452      0.046915      3.687695
  N      -8.593502      0.932189      2.768827
  C      -9.724948      0.670342      2.070241
  N     -10.510343     -0.386171      2.170448
  C     -10.152374     -1.305534      3.115533
  C     -10.942966     -2.471348      3.270652
  C     -10.606330     -3.417880      4.215507
  C      -9.472534     -3.236283      5.042283
  C      -8.682227     -2.113232      4.907911
  C      -8.996058     -1.124198      3.941084
  H      -3.507018      2.222186      2.007213
  H      -1.880729      1.560014      2.152604
  H      -3.806760     -0.240587      3.445894
  H      -2.714567     -0.617188      2.125106
  H      -6.107071      1.710617     -0.854968
  H      -8.425827     -2.157307      0.016293
  H      -8.102960     -4.079547      1.581311
  H      -6.126067     -4.140027      3.093057
  H      -4.488795     -2.290648      3.088620
  H      -5.140970      5.992399      4.775022
  H      -4.596241      6.662215      6.332320
  H      -3.594331      7.894323      4.500388
  H      -2.301427      7.014041      5.344198
  H      -4.252722      5.985556      0.453735
  H      -0.379800      3.534695      0.643737
  H       1.375812      3.150926      2.383838
  H       1.185348      4.253658      4.611250
  H      -0.734916      5.711832      5.122307
  H      -7.660993      1.433237      6.131192
  H      -7.350225      2.438601      4.697622
  H      -6.184113      0.569213      3.602111
  H      -6.557494     -0.514245      4.954665
  H     -10.002035      1.422505      1.325031
  H     -11.814490     -2.587645      2.624857
  H     -11.218131     -4.314329      4.332529
  H      -9.222026     -3.992247      5.788310
  H      -7.806849     -1.986716      5.544661
  N      -5.307310      3.639497      3.388664
  N      -5.951915      3.979649      2.505512
88
Coordinates from ORCA-job orca E -6140.057290875699
  N      -2.841748      2.003496      3.968179
  Mo     -4.248773      3.030195      4.911426
  N      -5.644203      1.920647      5.768113
  C      -5.294924      1.227403      7.010184
  C      -3.785208      1.036865      7.092721
  N      -3.091566      2.272205      6.640869
  C      -1.723342      2.005150      6.128661
  C      -1.803502      1.351185      4.755888
  C      -3.110503      3.339004      7.675561
  C      -2.985866      4.704467      7.011111
  N      -3.857890      4.750828      5.842739
  H      -0.819287      1.447332      4.258622
  H      -1.994678      0.261504      4.851858
  H      -1.224889      2.979250      6.030761
  H      -1.148029      1.389238      6.843526
  H      -3.275672      5.480036      7.745663
  H      -1.926564      4.907242      6.755037
  H      -4.082908      3.274841      8.182498
  H      -2.316463      3.167648      8.424590
  H      -5.769129      0.230006      7.059980
  H      -5.666658      1.787250      7.893015
  H      -3.488453      0.235506      6.402130
  H      -3.459145      0.755966      8.110683
  C      -2.910716      1.536901      2.586096
  C      -3.487353      0.109260      2.435777
  C      -4.662646     -0.011670      1.494212
  N      -4.891620      0.974070      0.640388
  C      -5.976007      0.867417     -0.175035
  N      -6.861797     -0.106164     -0.212998
  C      -6.649262     -1.140866      0.656056
  C      -7.578108     -2.210079      0.692387
  C      -7.385598     -3.265775      1.558571
  C      -6.260146     -3.297003      2.413890
  C      -5.344530     -2.263930      2.404301
  C      -5.521914     -1.158890      1.535155
  C      -4.269397      6.084120      5.441312
  C      -3.167486      6.891726      4.706454
  C      -2.819622      6.252932      3.392402
  N      -3.690610      6.449403      2.407059
  C      -3.459866      5.815695      1.229754
  N      -2.455595      5.014157      0.927628
  C      -1.529619      4.820039      1.912869
  C      -0.416566      3.982560      1.653303
  C       0.539225      3.774748      2.626129
  C       0.424787      4.400134      3.889490
  C      -0.651939      5.217954      4.168611
  C      -1.659303      5.439935      3.196685
  C      -6.981994      1.616020      5.281000
  C      -6.933010      0.394986      4.336772
  C      -8.232262      0.072450      3.667655
  N      -8.645588      0.947613      2.753940
  C      -9.787927      0.662888      2.082148
  N     -10.550784     -0.408220      2.200665
  C     -10.155526     -1.318654      3.139568
  C     -10.918225     -2.500730      3.311359
  C     -10.542637     -3.439310      4.249458
  C      -9.396615     -3.232748      5.053085
  C      -8.633244     -2.093591      4.901758
  C      -8.986574     -1.111867      3.940787
  H      -3.532385      2.228745      2.006074
  H      -1.899844      1.578672      2.141327
  H      -3.804500     -0.247699      3.428238
  H      -2.714254     -0.604044      2.100703
  H      -6.124599      1.702436     -0.866506
  H      -8.442321     -2.159714      0.028848
  H      -8.112384     -4.078783      1.596233
  H      -6.124179     -4.139973      3.093270
  H      -4.484850     -2.292496      3.074595
  H      -5.131386      6.004101      4.764499
  H      -4.591585      6.668499      6.326150
  H      -3.566490      7.895762      4.499202
  H      -2.288803      7.006098      5.354746
  H      -4.205933      5.989538      0.448497
  H      -0.346796      3.519100      0.668149
  H       1.396817      3.131754      2.419069
  H       1.196727      4.238448      4.644023
  H      -0.721550      5.702776      5.141836
  H      -7.675031      1.417369      6.120633
  H      -7.380649      2.471145      4.718866
  H      -6.220078      0.662371      3.545669
  H      -6.529354     -0.471949      4.875378
  H     -10.095454      1.407179      1.340908
  H     -11.799519     -2.636214      2.682819
  H     -11.132266     -4.348842      4.378834
  H      -9.114360     -3.982568      5.793953
  H      -7.746782     -1.947834      5.518335
  N      -5.317648      3.656004      3.385303
  N      -5.959469      4.006857      2.504459
88
Coordinates from ORCA-job orca E -6140.057314627476
  N      -2.842619      2.009416      3.957026
  Mo     -4.249215      3.032855      4.904444
  N      -5.641869      1.917871      5.757605
  C      -5.289830      1.218654      6.995820
  C      -3.779666      1.032845      7.078204
  N      -3.089271      2.271709      6.630012
  C      -1.720931      2.008494      6.116159
  C      -1.802931      1.356824      4.742611
  C      -3.109090      3.335027      7.668259
  C      -2.986400      4.702860      7.008343
  N      -3.858483      4.751127      5.840332
  H      -0.819755      1.453889      4.243499
  H      -1.993425      0.266996      4.838160
  H      -1.223889      2.983383      6.019778
  H      -1.144205      1.391712      6.829140
  H      -3.278352      5.474918      7.745744
  H      -1.927364      4.908898      6.753406
  H      -4.081084      3.268151      8.175568
  H      -2.314292      3.162381      8.416246
  H      -5.760129      0.218896      7.039071
  H      -5.664697      1.771457      7.881693
  H      -3.479986      0.234358      6.385695
  H      -3.453141      0.750042      8.095485
  C      -2.916686      1.538915      2.577019
  C      -3.494071      0.110126      2.436206
  C      -4.669752     -0.015552      1.495733
  N      -4.898795      0.965756      0.636892
  C      -5.983339      0.855172     -0.177807
  N      -6.868592     -0.119169     -0.211336
  C      -6.654718     -1.150177      0.661860
  C      -7.581918     -2.220777      0.702364
  C      -7.387859     -3.272604      1.572933
  C      -6.261951     -3.299066      2.427982
  C      -5.348010     -2.264438      2.414364
  C      -5.527875     -1.162932      1.541496
  C      -4.269514      6.085371      5.442528
  C      -3.167240      6.894694      4.711239
  C      -2.816272      6.254177      3.399194
  N      -3.687914      6.441874      2.413027
  C      -3.455118      5.802430      1.239181
  N      -2.447284      5.003745      0.941180
  C      -1.519407      4.820743      1.926853
  C      -0.402124      3.987809      1.671475
  C       0.554882      3.789820      2.645348
  C       0.437185      4.420822      3.905545
  C      -0.643639      5.234754      4.180473
  C      -1.651872      5.446473      3.207394
  C      -6.980449      1.613239      5.273445
  C      -6.934163      0.390816      4.330132
  C      -8.235462      0.072368      3.662149
  N      -8.650044      0.949124      2.750953
  C      -9.795998      0.667896      2.083279
  N     -10.560963     -0.401473      2.205114
  C     -10.163405     -1.313627      3.141489
  C     -10.926650     -2.495056      3.315114
  C     -10.547284     -3.435653      4.249650
  C      -9.397814     -3.231319      5.049053
  C      -8.634158     -2.092715      4.896005
  C      -8.990699     -1.110328      3.937361
  H      -3.540983      2.228195      1.996813
  H      -1.907932      1.580245      2.127745
  H      -3.812113     -0.240392      3.431209
  H      -2.721433     -0.605542      2.105613
  H      -6.131245      1.686228     -0.874241
  H      -8.446325     -2.174032      0.038887
  H      -8.114041     -4.086202      1.614428
  H      -6.124533     -4.139320      3.110434
  H      -4.487804     -2.289538      3.084225
  H      -5.130881      6.007374      4.764806
  H      -4.592295      6.668036      6.328419
  H      -3.568155      7.897874      4.503093
  H      -2.290132      7.010631      5.361054
  H      -4.201780      5.969035      0.457077
  H      -0.330045      3.519604      0.688764
  H       1.415829      3.150300      2.441611
  H       1.210123      4.267261      4.660766
  H      -0.716114      5.724357      5.151525
  H      -7.670437      1.417409      6.116234
  H      -7.380965      2.466683      4.710433
  H      -6.219002      0.653744      3.538752
  H      -6.533722     -0.477426      4.869125
  H     -10.104468      1.413474      1.343802
  H     -11.810502     -2.628472      2.689699
  H     -11.136712     -4.345130      4.378911
  H      -9.113173     -3.982876      5.787261
  H      -7.744651     -1.949847      5.509482
  N      -5.320201      3.660868      3.380915
  N      -5.965117      4.012965      2.502590
88
Coordinates from ORCA-job orca E -6140.057325694628
  N      -2.846404      2.012000      3.945341
  Mo     -4.252511      3.033128      4.895694
  N      -5.645074      1.916182      5.745187
  C      -5.292566      1.209366      6.979186
  C      -3.782187      1.025589      7.062044
  N      -3.092863      2.266708      6.618098
  C      -1.723840      2.006579      6.104099
  C      -1.805354      1.358648      4.728640
  C      -3.115017      3.325983      7.660422
  C      -2.991689      4.696306      7.005942
  N      -3.860700      4.748744      5.835965
  H      -0.822563      1.458244      4.229236
  H      -1.994497      0.268406      4.821352
  H      -1.227725      2.982231      6.010478
  H      -1.146720      1.388468      6.815579
  H      -3.285647      5.465371      7.745729
  H      -1.932257      4.903723      6.754077
  H      -4.087805      3.256368      8.165892
  H      -2.321361      3.151005      8.409113
  H      -5.760572      0.208133      7.014125
  H      -5.670140      1.754849      7.868406
  H      -3.480513      0.229324      6.367877
  H      -3.456198      0.740660      8.078874
  C      -2.923116      1.542877      2.565081
  C      -3.495299      0.111610      2.425946
  C      -4.671936     -0.018903      1.487456
  N      -4.901752      0.958213      0.623970
  C      -5.987664      0.844001     -0.188443
  N      -6.874278     -0.129385     -0.214597
  C      -6.659152     -1.156382      0.662980
  C      -7.587296     -2.225968      0.711186
  C      -7.391280     -3.274275      1.585517
  C      -6.262171     -3.298472      2.436418
  C      -5.347615     -2.264486      2.415730
  C      -5.529977     -1.165995      1.539589
  C      -4.271223      6.084603      5.442349
  C      -3.166350      6.896217      4.717956
  C      -2.807121      6.255801      3.407876
  N      -3.676621      6.436722      2.418662
  C      -3.438470      5.793952      1.247821
  N      -2.427775      4.996513      0.956154
  C      -1.500590      4.822432      1.944141
  C      -0.379609      3.992751      1.694512
  C       0.576807      3.803335      2.670753
  C       0.454778      4.440076      3.927590
  C      -0.629768      5.250994      4.197090
  C      -1.637760      5.453590      3.221564
  C      -6.985123      1.615181      5.262726
  C      -6.939702      0.400159      4.309813
  C      -8.245125      0.077984      3.652073
  N      -8.668912      0.949436      2.740288
  C      -9.820384      0.662663      2.084002
  N     -10.581256     -0.408308      2.217056
  C     -10.173283     -1.315785      3.153588
  C     -10.930712     -2.499470      3.337568
  C     -10.540388     -3.435128      4.272508
  C      -9.386217     -3.222927      5.063048
  C      -8.628143     -2.082104      4.899620
  C      -8.995315     -1.105322      3.939295
  H      -3.552317      2.230136      1.987853
  H      -1.916295      1.588922      2.111768
  H      -3.810961     -0.239384      3.421430
  H      -2.720207     -0.601101      2.094720
  H      -6.135997      1.671203     -0.889344
  H      -8.453743     -2.181109      0.050215
  H      -8.118667     -4.086450      1.633517
  H      -6.122981     -4.136185      3.121613
  H      -4.484938     -2.287888      3.082452
  H      -5.130695      6.008827      4.762013
  H      -4.596456      6.663886      6.329605
  H      -3.567045      7.899156      4.508183
  H      -2.292737      7.012844      5.372267
  H      -4.184838      5.952976      0.463805
  H      -0.303800      3.520379      0.714069
  H       1.440887      3.166703      2.471269
  H       1.227456      4.293752      4.684491
  H      -0.705611      5.744721      5.165645
  H      -7.671614      1.413346      6.106911
  H      -7.388453      2.472341      4.707328
  H      -6.231230      0.671680      3.515431
  H      -6.531588     -0.469652      4.840219
  H     -10.137022      1.404193      1.343869
  H     -11.818419     -2.638432      2.718840
  H     -11.124754     -4.346885      4.408404
  H      -9.093358     -3.970636      5.801942
  H      -7.734862     -1.934230      5.506340
  N      -5.323931      3.664511      3.373783
  N      -5.970230      4.019668      2.497735
88
Coordinates from ORCA-job orca E -6140.057329674642
  N      -2.845433      2.012154      3.941111
  Mo     -4.252912      3.030926      4.892510
  N      -5.643923      1.911723      5.741035
  C      -5.290682      1.204631      6.974808
  C      -3.780094      1.022655      7.057949
  N      -3.091941      2.264546      6.614249
  C      -1.722637      2.005933      6.099900
  C      -1.804065      1.358973      4.724020
  C      -3.114730      3.323065      7.657209
  C      -2.992190      4.693591      7.003126
  N      -3.862020      4.746047      5.833812
  H      -0.821445      1.459028      4.224335
  H      -1.992645      0.268623      4.816548
  H      -1.227065      2.981961      6.007209
  H      -1.145213      1.387443      6.810771
  H      -3.285406      5.462513      7.743336
  H      -1.933013      4.900813      6.750031
  H      -4.087507      3.252638      8.162612
  H      -2.320854      3.148223      8.405696
  H      -5.757200      0.202639      7.008557
  H      -5.669574      1.748838      7.864234
  H      -3.477219      0.226626      6.364048
  H      -3.454203      0.738244      8.074942
  C      -2.921314      1.544165      2.560527
  C      -3.491420      0.112091      2.420283
  C      -4.666740     -0.019513      1.480324
  N      -4.892438      0.954795      0.612489
  C      -5.977436      0.840367     -0.201104
  N      -6.866942     -0.130478     -0.224389
  C      -6.656005     -1.154580      0.657504
  C      -7.587492     -2.221165      0.708982
  C      -7.395612     -3.266527      1.587741
  C      -6.267503     -3.290833      2.439949
  C      -5.349810     -2.259691      2.416199
  C      -5.527983     -1.164077      1.535576
  C      -4.274632      6.081835      5.442268
  C      -3.170455      6.896820      4.719990
  C      -2.807631      6.257302      3.410451
  N      -3.675870      6.435833      2.419794
  C      -3.435381      5.791971      1.250073
  N      -2.423000      4.995901      0.960597
  C      -1.496685      4.824672      1.949913
  C      -0.373976      3.996723      1.702410
  C       0.581965      3.810539      2.679745
  C       0.457679      4.448755      3.935581
  C      -0.628607      5.258007      4.203129
  C      -1.636184      5.457376      3.226404
  C      -6.984827      1.610993      5.260539
  C      -6.940873      0.396765      4.306509
  C      -8.247603      0.074593      3.651357
  N      -8.671106      0.943676      2.737433
  C      -9.823915      0.656679      2.083491
  N     -10.585917     -0.412851      2.220755
  C     -10.178204     -1.318042      3.159630
  C     -10.937135     -2.500086      3.348000
  C     -10.547441     -3.433109      4.285813
  C      -9.392428     -3.219906      5.074853
  C      -8.632702     -2.080699      4.907029
  C      -8.999295     -1.106747      3.943663
  H      -3.551241      2.230927      1.983581
  H      -1.914567      1.592273      2.107097
  H      -3.807632     -0.239431      3.415255
  H      -2.714855     -0.599228      2.089494
  H      -6.122176      1.664996     -0.905765
  H      -8.453010     -2.176304      0.046779
  H      -8.125484     -4.076309      1.638085
  H      -6.131491     -4.126530      3.128235
  H      -4.487885     -2.283421      3.083865
  H      -5.133493      6.005812      4.761206
  H      -4.601262      6.659422      6.330108
  H      -3.573450      7.898870      4.510465
  H      -2.298003      7.014854      5.375586
  H      -4.180291      5.949833      0.464429
  H      -0.296243      3.523242      0.722660
  H       1.447313      3.175070      2.482071
  H       1.229900      4.304798      4.693387
  H      -0.706456      5.752733      5.170967
  H      -7.669498      1.408686      6.106045
  H      -7.389514      2.468287      4.706256
  H      -6.233291      0.667883      3.511436
  H      -6.532102     -0.473447      4.835871
  H     -10.140646      1.396681      1.341868
  H     -11.825635     -2.639527      2.730509
  H     -11.133120     -4.343576      4.424904
  H      -9.100570     -3.965484      5.816285
  H      -7.739384     -1.932433      5.513595
  N      -5.325075      3.661445      3.371166
  N      -5.972353      4.016000      2.495624
88
Coordinates from ORCA-job orca E -6140.057333504345
  N      -2.845346      2.012459      3.936961
  Mo     -4.253986      3.029135      4.889444
  N      -5.644337      1.907849      5.735872
  C      -5.291271      1.199488      6.969073
  C      -3.780596      1.018393      7.052938
  N      -3.092843      2.260907      6.610534
  C      -1.723226      2.003458      6.096050
  C      -1.804247      1.358364      4.719305
  C      -3.116042      3.318092      7.654793
  C      -2.992995      4.689161      7.002008
  N      -3.862960      4.742974      5.832757
  H      -0.821576      1.458548      4.219740
  H      -1.992972      0.267928      4.810888
  H      -1.227855      2.979730      6.005112
  H      -1.146007      1.383901      6.806127
  H      -3.285404      5.457747      7.742835
  H      -1.933857      4.895531      6.748350
  H      -4.089187      3.247261      8.159463
  H      -2.322563      3.142269      8.403469
  H      -5.756950      0.197030      7.000792
  H      -5.671486      1.742114      7.858871
  H      -3.476675      0.222762      6.359008
  H      -3.455394      0.733747      8.070081
  C      -2.921060      1.545994      2.555907
  C      -3.488110      0.112757      2.414440
  C      -4.660753     -0.020916      1.471648
  N      -4.881373      0.949986      0.598560
  C      -5.964728      0.834771     -0.217072
  N      -6.857619     -0.133056     -0.237108
  C      -6.651916     -1.153546      0.650075
  C      -7.587376     -2.216524      0.705183
  C      -7.400516     -3.258447      1.589052
  C      -6.273427     -3.283155      2.442615
  C      -5.351917     -2.255548      2.415346
  C      -5.525257     -1.162963      1.529920
  C      -4.276390      6.079280      5.443846
  C      -3.172209      6.897546      4.724435
  C      -2.806175      6.260604      3.414524
  N      -3.672689      6.439543      2.422490
  C      -3.429561      5.797377      1.252421
  N      -2.416596      5.001649      0.964154
  C      -1.491861      4.830080      1.954889
  C      -0.368313      4.002955      1.708396
  C       0.586871      3.817585      2.686605
  C       0.461010      4.455780      3.942292
  C      -0.626290      5.263926      4.209023
  C      -1.633387      5.462219      3.231513
  C      -6.986002      1.608026      5.256552
  C      -6.942610      0.395645      4.300318
  C      -8.250274      0.071300      3.648439
  N      -8.673986      0.935009      2.729653
  C      -9.827974      0.644979      2.078934
  N     -10.590026     -0.423489      2.222898
  C     -10.182218     -1.323188      3.167007
  C     -10.941560     -2.503793      3.362739
  C     -10.552126     -3.431003      4.306422
  C      -9.396920     -3.213275      5.093883
  C      -8.636597     -2.075434      4.918746
  C      -9.002923     -1.107539      3.949290
  H      -3.552617      2.232117      1.979977
  H      -1.914811      1.596992      2.101565
  H      -3.806121     -0.238590      3.408737
  H      -2.709270     -0.597024      2.085635
  H      -6.105106      1.656177     -0.926371
  H      -8.451793     -2.171611      0.041542
  H      -8.133365     -4.065363      1.642136
  H      -6.141326     -4.116427      3.134584
  H      -4.490941     -2.279740      3.084197
  H      -5.134350      6.004177      4.761571
  H      -4.604358      6.654731      6.332545
  H      -3.577030      7.899064      4.516146
  H      -2.300970      7.015875      5.381630
  H      -4.172688      5.956227      0.465281
  H      -0.289031      3.529819      0.728607
  H       1.452920      3.182788      2.489818
  H       1.232735      4.312585      4.700744
  H      -0.705562      5.758568      5.176741
  H      -7.669433      1.403879      6.102568
  H      -7.391661      2.466362      4.704434
  H      -6.236909      0.668109      3.504311
  H      -6.531825     -0.474743      4.828128
  H     -10.145437      1.380969      1.333627
  H     -11.830394     -2.646468      2.746472
  H     -11.138325     -4.340263      4.451265
  H      -9.105673     -3.954158      5.840237
  H      -7.743587     -1.924044      5.524962
  N      -5.326364      3.660437      3.368970
  N      -5.974481      4.015081      2.494044
88
Coordinates from ORCA-job orca E -6140.057334650965
  N      -2.846244      2.014753      3.934062
  Mo     -4.255147      3.029767      4.888096
  N      -5.644735      1.906615      5.733128
  C      -5.291146      1.196610      6.965286
  C      -3.780315      1.016261      7.048743
  N      -3.093361      2.259734      6.607980
  C      -1.723670      2.003948      6.092842
  C      -1.804465      1.360475      4.715336
  C      -3.117144      3.315504      7.653667
  C      -2.994299      4.687463      7.002737
  N      -3.864059      4.742568      5.833271
  H      -0.821969      1.461811      4.215659
  H      -1.992459      0.269800      4.805711
  H      -1.229089      2.980724      6.003153
  H      -1.145841      1.383876      6.801985
  H      -3.286979      5.455105      7.744406
  H      -1.935185      4.894222      6.749382
  H      -4.090491      3.243678      8.157816
  H      -2.323925      3.138838      8.402412
  H      -5.756265      0.193853      6.995541
  H      -5.671623      1.737782      7.855843
  H      -3.476010      0.221650      6.353814
  H      -3.454920      0.730480      8.065512
  C      -2.922933      1.548987      2.552815
  C      -3.487945      0.114913      2.411239
  C      -4.659023     -0.020765      1.466924
  N      -4.877360      0.947754      0.590545
  C      -5.959463      0.830937     -0.226498
  N      -6.853486     -0.135888     -0.244676
  C      -6.650232     -1.153768      0.646018
  C      -7.587322     -2.215183      0.703518
  C      -7.402952     -3.254527      1.590918
  C      -6.276625     -3.278298      2.445549
  C      -5.353571     -2.252177      2.415945
  C      -5.524571     -1.161922      1.527179
  C      -4.276496      6.079419      5.445263
  C      -3.171326      6.897975      4.727418
  C      -2.804311      6.261856      3.417408
  N      -3.669762      6.442000      2.424651
  C      -3.425739      5.800641      1.254317
  N      -2.413292      5.004018      0.966711
  C      -1.489829      4.830925      1.958344
  C      -0.366922      4.002672      1.712652
  C       0.587344      3.816369      2.691549
  C       0.461187      4.454693      3.947172
  C      -0.625659      5.263654      4.213198
  C      -1.631932      5.462789      3.235038
  C      -6.986589      1.606919      5.254029
  C      -6.942908      0.395566      4.296539
  C      -8.250806      0.069546      3.646159
  N      -8.674674      0.929921      2.724272
  C      -9.829035      0.637611      2.075127
  N     -10.591013     -0.430352      2.223069
  C     -10.182951     -1.326684      3.170294
  C     -10.942168     -2.506633      3.370419
  C     -10.552470     -3.430414      4.317400
  C      -9.397091     -3.209731      5.103745
  C      -8.636924     -2.072411      4.924375
  C      -9.003552     -1.108074      3.951568
  H      -3.556186      2.234533      1.978062
  H      -1.917351      1.601825      2.097180
  H      -3.806803     -0.236029      3.405387
  H      -2.707689     -0.594003      2.083927
  H      -6.097835      1.650126     -0.938765
  H      -8.450983     -2.171161      0.038838
  H      -8.137023     -4.060207      1.645863
  H      -6.146500     -4.109564      3.140295
  H      -4.493322     -2.275575      3.085770
  H      -5.133757      6.005392      4.761991
  H      -4.604970      6.654150      6.334214
  H      -3.575770      7.899687      4.519427
  H      -2.300780      7.015589      5.385664
  H      -4.167439      5.961322      0.466197
  H      -0.287305      3.529589      0.732865
  H       1.452974      3.180813      2.495364
  H       1.232326      4.310951      4.706117
  H      -0.705130      5.758476      5.180817
  H      -7.669780      1.401433      6.099905
  H      -7.392553      2.465933      4.703153
  H      -6.238474      0.669477      3.499956
  H      -6.530732     -0.474748      4.823458
  H     -10.146960      1.371044      1.327492
  H     -11.831135     -2.651631      2.754892
  H     -11.138625     -4.339131      4.465771
  H      -9.105617     -3.947870      5.852728
  H      -7.743824     -1.918771      5.529919
  N      -5.328267      3.662506      3.368904
  N      -5.977151      4.017498      2.494644
88
Coordinates from ORCA-job orca E -6140.057336266093
  N      -2.844384      2.013353      3.934454
  Mo     -4.253341      3.028920      4.888160
  N      -5.643827      1.905811      5.731606
  C      -5.291744      1.195435      6.963973
  C      -3.781124      1.013793      7.048338
  N      -3.093028      2.256915      6.608642
  C      -1.723321      2.000349      6.094014
  C      -1.803806      1.357669      4.716182
  C      -3.116585      3.312216      7.654920
  C      -2.992378      4.684372      7.004644
  N      -3.861998      4.740646      5.834990
  H      -0.820825      1.458090      4.217296
  H      -1.993057      0.267157      4.805902
  H      -1.227970      2.976795      6.005280
  H      -1.146308      1.379367      6.803060
  H      -3.284264      5.452182      7.746380
  H      -1.933167      4.890057      6.751056
  H      -4.090405      3.240884      8.158238
  H      -2.324129      3.134376      8.404173
  H      -5.757875      0.193150      6.994093
  H      -5.672213      1.737112      7.854213
  H      -3.477093      0.219182      6.353302
  H      -3.456686      0.727250      8.065213
  C      -2.920988      1.547869      2.553124
  C      -3.485139      0.113420      2.411115
  C      -4.655025     -0.022930      1.465606
  N      -4.870379      0.943856      0.586518
  C      -5.950863      0.826407     -0.232494
  N      -6.846157     -0.139275     -0.250158
  C      -6.646193     -1.155090      0.643612
  C      -7.585087     -2.214867      0.701999
  C      -7.404148     -3.252204      1.592432
  C      -6.279363     -3.275650      2.449152
  C      -5.354600     -2.251140      2.418633
  C      -5.522223     -1.162714      1.526984
  C      -4.276335      6.077551      5.449264
  C      -3.172391      6.898408      4.731911
  C      -2.806991      6.265632      3.419924
  N      -3.673190      6.449366      2.428456
  C      -3.430231      5.811893      1.255751
  N      -2.418380      5.015712      0.964810
  C      -1.494683      4.838311      1.955467
  C      -0.372897      4.009445      1.706678
  C       0.581462      3.818736      2.684618
  C       0.456650      4.453283      3.942315
  C      -0.629122      5.262682      4.211304
  C      -1.635543      5.466101      3.234266
  C      -6.985329      1.606887      5.251018
  C      -6.941094      0.394186      4.295243
  C      -8.248022      0.067627      3.643322
  N      -8.667998      0.924302      2.716124
  C      -9.821308      0.630866      2.065582
  N     -10.585531     -0.435063      2.216710
  C     -10.181363     -1.327555      3.169269
  C     -10.942871     -2.505379      3.373033
  C     -10.556985     -3.425261      4.325427
  C      -9.403381     -3.202474      5.113745
  C      -8.641080     -2.067094      4.930990
  C      -9.003687     -1.107025      3.952562
  H      -3.554594      2.233278      1.978477
  H      -1.915402      1.601285      2.097573
  H      -3.804084     -0.237810      3.405160
  H      -2.704103     -0.594765      2.084083
  H      -6.086493      1.643827     -0.947341
  H      -8.447393     -2.171269      0.035548
  H      -8.139659     -4.056516      1.648232
  H      -6.151987     -4.105275      3.146357
  H      -4.495612     -2.274293      3.090105
  H      -5.133644      6.003693      4.766012
  H      -4.605146      6.650381      6.339281
  H      -3.577601      7.900365      4.526725
  H      -2.301275      7.014896      5.389634
  H      -4.172077      5.976171      0.468504
  H      -0.294292      3.539432      0.725331
  H       1.446251      3.182776      2.486048
  H       1.227963      4.306257      4.700455
  H      -0.707605      5.754598      5.180509
  H      -7.670253      1.402908      6.095858
  H      -7.389300      2.465785      4.698543
  H      -6.235550      0.666603      3.499056
  H      -6.530223     -0.475606      4.824052
  H     -10.136230      1.361348      1.313793
  H     -11.830430     -2.652168      2.755908
  H     -11.144785     -4.332435      4.476648
  H      -9.114888     -3.937443      5.866997
  H      -7.749308     -1.911739      5.538130
  N      -5.325861      3.663098      3.369355
  N      -5.974831      4.018225      2.495147
88
Coordinates from ORCA-job orca E -6140.057337270646
  N      -2.846158      2.014780      3.933553
  Mo     -4.254293      3.030467      4.888173
  N      -5.644762      1.907184      5.731450
  C      -5.292074      1.195205      6.962725
  C      -3.781383      1.013778      7.046464
  N      -3.093549      2.257382      6.607624
  C      -1.723968      2.001397      6.092485
  C      -1.804846      1.359228      4.714433
  C      -3.117084      3.311962      7.654591
  C      -2.992998      4.684678      7.005488
  N      -3.862211      4.741735      5.835610
  H      -0.822149      1.460418      4.215132
  H      -1.993560      0.268610      4.803692
  H      -1.228967      2.978038      6.003863
  H      -1.146441      1.380382      6.801088
  H      -3.285615      5.451645      7.747830
  H      -1.933697      4.891162      6.752749
  H      -4.090806      3.240142      8.158022
  H      -2.324536      3.133645      8.403645
  H      -5.757996      0.192785      6.991679
  H      -5.672363      1.735597      7.853827
  H      -3.477505      0.219905      6.350537
  H      -3.456499      0.726255      8.062921
  C      -2.923955      1.549332      2.552283
  C      -3.487542      0.114537      2.411119
  C      -4.657388     -0.022795      1.465719
  N      -4.873690      0.943849      0.586711
  C      -5.954180      0.825493     -0.232174
  N      -6.848633     -0.140987     -0.249784
  C      -6.647637     -1.156676      0.643922
  C      -7.585626     -2.217244      0.702470
  C      -7.403691     -3.254411      1.592909
  C      -6.278683     -3.276944      2.449372
  C      -5.354771     -2.251669      2.418640
  C      -5.523551     -1.163316      1.527135
  C      -4.275148      6.079044      5.449839
  C      -3.170370      6.898478      4.732447
  C      -2.805308      6.264732      3.420842
  N      -3.671642      6.447887      2.429369
  C      -3.428935      5.809425      1.257134
  N      -2.417329      5.012725      0.966722
  C      -1.493317      4.836272      1.957234
  C      -0.371403      4.007464      1.708824
  C       0.583194      3.817645      2.686714
  C       0.458417      4.452946      3.944043
  C      -0.627414      5.262399      4.212619
  C      -1.633937      5.465080      3.235538
  C      -6.986103      1.608110      5.250634
  C      -6.941237      0.395868      4.294208
  C      -8.248025      0.068582      3.642295
  N      -8.668624      0.924760      2.714913
  C      -9.821915      0.630468      2.064697
  N     -10.585548     -0.435862      2.216340
  C     -10.180634     -1.327858      3.169043
  C     -10.941185     -2.506219      3.373222
  C     -10.554285     -3.425723      4.325567
  C      -9.400657     -3.201947      5.113600
  C      -8.639281     -2.066072      4.930390
  C      -9.002880     -1.106438      3.951872
  H      -3.558628      2.234387      1.978438
  H      -1.918920      1.603290      2.095621
  H      -3.806351     -0.236342      3.405345
  H      -2.706237     -0.593534      2.084487
  H      -6.090613      1.642797     -0.946996
  H      -8.448100     -2.174355      0.036188
  H      -8.138622     -4.059247      1.648988
  H      -6.150474     -4.106418      3.146605
  H      -4.495598     -2.274050      3.089898
  H      -5.132597      6.005966      4.766691
  H      -4.603294      6.652277      6.339860
  H      -3.574478      7.900789      4.526677
  H      -2.299279      7.014500      5.390251
  H      -4.171303      5.972540      0.470161
  H      -0.292936      3.536740      0.727807
  H       1.448082      3.181746      2.488392
  H       1.229860      4.306531      4.702172
  H      -0.705816      5.754893      5.181561
  H      -7.670949      1.403568      6.095423
  H      -7.390336      2.467125      4.698586
  H      -6.236071      0.669320      3.498029
  H      -6.529728     -0.473882      4.822507
  H     -10.137046      1.360188      1.312281
  H     -11.828749     -2.653848      2.756294
  H     -11.141208     -4.333422      4.476938
  H      -9.111324     -3.936600      5.866839
  H      -7.747368     -1.909846      5.537097
  N      -5.327260      3.665760      3.370086
  N      -5.976688      4.021317      2.496384
88
Coordinates from ORCA-job orca E -6140.057337804223
  N      -2.847182      2.015474      3.932351
  Mo     -4.254856      3.030910      4.887889
  N      -5.645374      1.907183      5.730395
  C      -5.292415      1.193392      6.960554
  C      -3.781664      1.012090      7.043945
  N      -3.093941      2.256204      6.606354
  C      -1.724369      2.000944      6.090914
  C      -1.805319      1.359795      4.712386
  C      -3.117705      3.309782      7.654284
  C      -2.993499      4.683158      7.006659
  N      -3.862250      4.741386      5.836532
  H      -0.822773      1.461861      4.212951
  H      -1.993527      0.269045      4.800782
  H      -1.229663      2.977800      6.002897
  H      -1.146490      1.379627      6.798966
  H      -3.286558      5.449276      7.749719
  H      -1.934085      4.890150      6.754674
  H      -4.091493      3.237377      8.157509
  H      -2.325292      3.130754      8.403326
  H      -5.758149      0.190842      6.987997
  H      -5.672738      1.732350      7.852513
  H      -3.477831      0.219042      6.347064
  H      -3.456594      0.723407      8.060011
  C      -2.925606      1.550878      2.550844
  C      -3.487534      0.115378      2.409567
  C      -4.656400     -0.023369      1.463241
  N      -4.870977      0.941545      0.581872
  C      -5.950450      0.822013     -0.238172
  N      -6.845581     -0.143885     -0.254712
  C      -6.646355     -1.157730      0.641482
  C      -7.585294     -2.217383      0.701445
  C      -7.405171     -3.252691      1.594418
  C      -6.280924     -3.274361      2.451915
  C      -5.356092     -2.249975      2.419745
  C      -5.523220     -1.163279      1.525903
  C      -4.274894      6.079061      5.451696
  C      -3.169894      6.898431      4.734761
  C      -2.804961      6.265073      3.422931
  N      -3.671418      6.448534      2.431597
  C      -3.428915      5.810208      1.259239
  N      -2.417340      5.013571      0.968522
  C      -1.493084      4.837062      1.958776
  C      -0.371070      4.008488      1.710002
  C       0.583640      3.818494      2.687743
  C       0.458829      4.453262      3.945348
  C      -0.627102      5.262451      4.214305
  C      -1.633654      5.465440      3.237292
  C      -6.986514      1.608142      5.249046
  C      -6.940835      0.396674      4.291554
  C      -8.247476      0.068229      3.639929
  N      -8.667602      0.921920      2.710062
  C      -9.820848      0.626086      2.060429
  N     -10.584876     -0.439583      2.215011
  C     -10.180326     -1.329071      3.170221
  C     -10.940981     -2.506824      3.377488
  C     -10.554202     -3.423868      4.332247
  C      -9.400615     -3.198133      5.119820
  C      -8.639182     -2.062819      4.933634
  C      -9.002664     -1.105748      3.952533
  H      -3.561716      2.235477      1.978092
  H      -1.921094      1.606367      2.093232
  H      -3.806533     -0.235713      3.403613
  H      -2.705144     -0.591804      2.083558
  H      -6.085488      1.637794     -0.954995
  H      -8.447051     -2.175271      0.034185
  H      -8.140913     -4.056709      1.651686
  H      -6.154098     -4.102372      3.151133
  H      -4.497542     -2.271596      3.091819
  H      -5.132480      6.006589      4.768663
  H      -4.602722      6.651807      6.342150
  H      -3.573453      7.901063      4.529388
  H      -2.298786      7.013878      5.392635
  H      -4.171503      5.973327      0.472482
  H      -0.292644      3.538088      0.728826
  H       1.448633      3.182841      2.489085
  H       1.230322      4.306612      4.703379
  H      -0.705540      5.754410      5.183511
  H      -7.671371      1.402715      6.093627
  H      -7.390926      2.467518      4.697713
  H      -6.236219      0.671451      3.495382
  H      -6.528563     -0.473061      4.819234
  H     -10.135530      1.353679      1.305783
  H     -11.828492     -2.656080      2.760866
  H     -11.141124     -4.331183      4.485871
  H      -9.111397     -3.930794      5.875041
  H      -7.747310     -1.904870      5.539955
  N      -5.328143      3.667715      3.370701
  N      -5.978226      4.023561      2.497593
88
Coordinates from ORCA-job orca E -6140.057338178101
  N      -2.845998      2.015121      3.933083
  Mo     -4.253996      3.030508      4.888285
  N      -5.644289      1.906621      5.731012
  C      -5.291398      1.194223      6.961984
  C      -3.780690      1.012830      7.045514
  N      -3.092917      2.256684      6.607237
  C      -1.723375      2.001053      6.091826
  C      -1.804428      1.359487      4.713510
  C      -3.116366      3.310741      7.654675
  C      -2.992394      4.683754      7.006209
  N      -3.861781      4.741258      5.836548
  H      -0.821842      1.461049      4.214044
  H      -1.992915      0.268815      4.802410
  H      -1.228468      2.977782      6.003568
  H      -1.145680      1.379767      6.800051
  H      -3.284971      5.450335      7.748978
  H      -1.933095      4.890447      6.753517
  H      -4.090003      3.238692      8.158237
  H      -2.323679      3.132123      8.403526
  H      -5.757248      0.191760      6.990628
  H      -5.671639      1.734241      7.853340
  H      -3.476859      0.219372      6.349099
  H      -3.455719      0.724732      8.061778
  C      -2.924101      1.549979      2.551765
  C      -3.486842      0.114792      2.410674
  C      -4.655725     -0.023375      1.464218
  N      -4.870707      0.942318      0.583816
  C      -5.950525      0.823514     -0.235892
  N      -6.845544     -0.142470     -0.253026
  C      -6.645926     -1.157103      0.642184
  C      -7.584602     -2.217030      0.701371
  C      -7.404012     -3.253127      1.593336
  C      -6.279688     -3.275254      2.450713
  C      -5.355134     -2.250583      2.419347
  C      -5.522571     -1.163291      1.526304
  C      -4.275299      6.078544      5.451494
  C      -3.171089      6.898557      4.733953
  C      -2.806581      6.265267      3.422000
  N      -3.673192      6.448864      2.430834
  C      -3.430914      5.810704      1.258338
  N      -2.419418      5.014084      0.967307
  C      -1.495158      4.837170      1.957491
  C      -0.373284      4.008501      1.708431
  C       0.581561      3.818291      2.686000
  C       0.457095      4.453012      3.943651
  C      -0.628649      5.262363      4.212868
  C      -1.635391      5.465493      3.236081
  C      -6.985490      1.607379      5.250022
  C      -6.940471      0.394814      4.293914
  C      -8.246967      0.067503      3.641310
  N      -8.665807      0.922289      2.711904
  C      -9.818534      0.627701      2.060849
  N     -10.583181     -0.437776      2.213615
  C     -10.180136     -1.328226      3.168550
  C     -10.941970     -2.505470      3.374383
  C     -10.557067     -3.423218      4.329211
  C      -9.404169     -3.198817      5.118192
  C      -8.641578     -2.064024      4.933433
  C      -9.003185     -1.106227      3.952349
  H      -3.559482      2.234726      1.978383
  H      -1.919357      1.604748      2.094572
  H      -3.806309     -0.235883      3.404730
  H      -2.704853     -0.592953      2.084948
  H      -6.085802      1.639920     -0.951955
  H      -8.446489     -2.174519      0.034305
  H      -8.139447     -4.057465      1.649854
  H      -6.152534     -4.103917      3.149099
  H      -4.496484     -2.272627      3.091280
  H      -5.133052      6.005432      4.768732
  H      -4.603240      6.651464      6.341804
  H      -3.575596      7.900860      4.528872
  H      -2.299650      7.014550      5.391286
  H      -4.173459      5.974204      0.471621
  H      -0.295085      3.538186      0.727198
  H       1.446385      3.182457      2.487194
  H       1.228706      4.306173      4.701527
  H      -0.706834      5.754371      5.182068
  H      -7.670302      1.403104      6.094913
  H      -7.389767      2.466159      4.697663
  H      -6.234802      0.667684      3.498013
  H      -6.529491     -0.474873      4.822730
  H     -10.132199      1.356275      1.306728
  H     -11.828995     -2.653632      2.756799
  H     -11.145039     -4.330031      4.481866
  H      -9.116502     -3.932045      5.873452
  H      -7.750374     -1.907078      5.540999
  N      -5.327186      3.666336      3.370713
  N      -5.977160      4.021337      2.497173
88
Coordinates from ORCA-job orca E -6140.057340292191
  N      -2.843061      2.014062      3.934880
  Mo     -4.251614      3.029538      4.889344
  N      -5.641470      1.905220      5.732307
  C      -5.288987      1.196331      6.965371
  C      -3.778434      1.014395      7.049320
  N      -3.090262      2.257488      6.609446
  C      -1.720881      2.000620      6.094052
  C      -1.802349      1.358186      4.716199
  C      -3.112637      3.312663      7.655763
  C      -2.989015      4.684820      7.005322
  N      -3.860145      4.740753      5.836974
  H      -0.819637      1.458310      4.216689
  H      -1.991817      0.267744      4.806189
  H      -1.225220      2.976910      6.005293
  H      -1.143811      1.379167      6.802630
  H      -3.280104      5.452594      7.747423
  H      -1.930010      4.890530      6.750712
  H      -4.085884      3.241628      8.160213
  H      -2.319265      3.134829      8.404067
  H      -5.755365      0.194206      6.997116
  H      -5.668901      1.739190      7.855140
  H      -3.474753      0.219910      6.354013
  H      -3.453818      0.727604      8.066068
  C      -2.920742      1.547503      2.554052
  C      -3.485727      0.113190      2.413660
  C      -4.654088     -0.023674      1.466229
  N      -4.869217      0.943533      0.587553
  C      -5.949277      0.826293     -0.232081
  N      -6.844265     -0.139678     -0.250803
  C      -6.644514     -1.155880      0.642589
  C      -7.582708     -2.216342      0.699577
  C      -7.401759     -3.254059      1.589585
  C      -6.277928     -3.277072      2.447571
  C      -5.353911     -2.251833      2.418468
  C      -5.521268     -1.163411      1.526807
  C      -4.276304      6.077029      5.451651
  C      -3.174435      6.899082      4.732474
  C      -2.810929      6.266236      3.420082
  N      -3.678033      6.450198      2.429420
  C      -3.436459      5.812345      1.256603
  N      -2.425202      5.015716      0.964758
  C      -1.500823      4.837821      1.954661
  C      -0.379365      4.008813      1.704867
  C       0.575948      3.818169      2.681894
  C       0.452521      4.452961      3.939588
  C      -0.632733      5.262736      4.209487
  C      -1.640075      5.466095      3.233379
  C      -6.982781      1.605534      5.252054
  C      -6.939128      0.390616      4.298960
  C      -8.245108      0.065795      3.643914
  N      -8.660880      0.922740      2.715161
  C      -9.812270      0.630654      2.060730
  N     -10.578333     -0.434351      2.209620
  C     -10.179066     -1.326427      3.164595
  C     -10.943820     -2.502238      3.367901
  C     -10.563691     -3.420801      4.323838
  C      -9.412513     -3.199013      5.116100
  C      -8.646997     -2.065758      4.933778
  C      -9.003872     -1.107061      3.951853
  H      -3.554358      2.232677      1.979198
  H      -1.915511      1.600299      2.097678
  H      -3.807000     -0.236012      3.407684
  H      -2.704677     -0.596230      2.089367
  H      -6.084531      1.643948     -0.946717
  H      -8.444384     -2.173035      0.032298
  H      -8.136501     -4.059154      1.643897
  H      -6.150575     -4.107075      3.144330
  H      -4.495517     -2.274712      3.090704
  H      -5.134539      6.002109      4.769665
  H      -4.604672      6.650108      6.341727
  H      -3.581644      7.900440      4.528247
  H      -2.302114      7.016674      5.388341
  H      -4.178930      5.976858      0.470023
  H      -0.301863      3.538621      0.723524
  H       1.440307      3.181829      2.482677
  H       1.224546      4.305773      4.696981
  H      -0.710085      5.755031      5.178605
  H      -7.667485      1.403716      6.097618
  H      -7.386810      2.463007      4.697483
  H      -6.231123      0.659489      3.503750
  H      -6.530893     -0.479040      4.830070
  H     -10.123542      1.361218      1.307550
  H     -11.829647     -2.648221      2.748093
  H     -11.154394     -4.326101      4.475081
  H      -9.128793     -3.932866      5.872239
  H      -7.757501     -1.910578      5.544298
  N      -5.324545      3.663024      3.370860
  N      -5.974435      4.015551      2.496235
88
Coordinates from ORCA-job orca E -6140.057341146759
  N      -2.840507      2.013353      3.935914
  Mo     -4.249568      3.028545      4.889953
  N      -5.639090      1.903535      5.732546
  C      -5.287081      1.197116      6.967136
  C      -3.776626      1.014767      7.051499
  N      -3.088142      2.257396      6.610765
  C      -1.718834      1.999810      6.095408
  C      -1.800416      1.357084      4.717716
  C      -3.109860      3.313146      7.656526
  C      -2.986536      4.684857      7.005037
  N      -3.858930      4.739886      5.837666
  H      -0.817551      1.456372      4.218333
  H      -1.990584      0.266781      4.808073
  H      -1.222676      2.975839      6.006541
  H      -1.142219      1.378115      6.804138
  H      -3.276582      5.453313      7.746826
  H      -1.927769      4.889967      6.749072
  H      -4.082861      3.242605      8.161515
  H      -2.316048      3.135709      8.404448
  H      -5.753903      0.195271      7.001106
  H      -5.666758      1.742082      7.855718
  H      -3.473002      0.219670      6.356859
  H      -3.452346      0.728721      8.068563
  C      -2.918300      1.545925      2.555387
  C      -3.484772      0.112201      2.415665
  C      -4.652188     -0.024080      1.466930
  N      -4.866699      0.943750      0.588803
  C      -5.946509      0.827393     -0.231280
  N      -6.841764     -0.138298     -0.251005
  C      -6.642649     -1.155161      0.641770
  C      -7.580884     -2.215647      0.697352
  C      -7.400449     -3.254087      1.586616
  C      -6.277357     -3.277629      2.445558
  C      -5.353363     -2.252330      2.417897
  C      -5.519890     -1.163478      1.526598
  C      -4.277437      6.075416      5.452557
  C      -3.177538      6.899375      4.732306
  C      -2.814583      6.267270      3.419419
  N      -3.682066      6.451746      2.429167
  C      -3.441018      5.814323      1.256000
  N      -2.430061      5.017562      0.963485
  C      -1.505480      4.838856      1.953062
  C      -0.384364      4.009588      1.702583
  C       0.571397      3.818566      2.679093
  C       0.448876      4.453382      3.936860
  C      -0.636016      5.263422      4.207413
  C      -1.643945      5.466952      3.231945
  C      -6.980508      1.603761      5.252658
  C      -6.937709      0.387617      4.301157
  C      -8.243281      0.064412      3.644481
  N      -8.656540      0.921862      2.715065
  C      -9.806987      0.630992      2.058492
  N     -10.574354     -0.433303      2.205820
  C     -10.178214     -1.325394      3.162070
  C     -10.945507     -2.499598      3.365206
  C     -10.569326     -3.417433      4.323404
  C      -9.419392     -3.196763      5.117805
  C      -8.651323     -2.065224      4.935564
  C      -9.004301     -1.107172      3.951594
  H      -3.550983      2.231398      1.979849
  H      -1.912916      1.597442      2.099195
  H      -3.807909     -0.235497      3.409614
  H      -2.704195     -0.598559      2.093188
  H      -6.081180      1.645522     -0.945482
  H      -8.442081     -2.171877      0.029483
  H      -8.134945     -4.059492      1.639396
  H      -6.150457     -4.108204      3.141718
  H      -4.495482     -2.275641      3.090765
  H      -5.136003      5.999033      4.771135
  H      -4.606305      6.648201      6.342646
  H      -3.586898      7.899988      4.528824
  H      -2.304609      7.018241      5.387143
  H      -4.183599      5.979521      0.469655
  H      -0.307475      3.539547      0.721119
  H       1.435397      3.181880      2.479418
  H       1.221312      4.305957      4.693791
  H      -0.712594      5.755848      5.176506
  H      -7.665208      1.403229      6.098532
  H      -7.384300      2.460664      4.697025
  H      -6.228280      0.654346      3.506492
  H      -6.531287     -0.482184      4.833447
  H     -10.116183      1.362037      1.304921
  H     -11.830457     -2.644623      2.743922
  H     -11.162402     -4.321140      4.475028
  H      -9.138885     -3.929970      5.875767
  H      -7.763081     -1.910550      5.548015
  N      -5.322416      3.660603      3.370948
  N      -5.972588      4.011075      2.495698
88
Coordinates from ORCA-job orca E -6140.057341941704
  N      -2.838945      2.013051      3.936225
  Mo     -4.248297      3.027821      4.890194
  N      -5.637582      1.902156      5.732307
  C      -5.285845      1.196926      6.967643
  C      -3.775432      1.014374      7.052204
  N      -3.086826      2.256844      6.611183
  C      -1.717540      1.999020      6.095809
  C      -1.799144      1.356402      4.718074
  C      -3.108236      3.312711      7.656862
  C      -2.985131      4.684311      7.005095
  N      -3.858262      4.739085      5.838309
  H      -0.816189      1.455388      4.218801
  H      -1.989686      0.266153      4.808326
  H      -1.221161      2.974948      6.007040
  H      -1.141131      1.377121      6.804520
  H      -3.274560      5.452992      7.746887
  H      -1.926516      4.889157      6.748361
  H      -4.081103      3.242249      8.162119
  H      -2.314184      3.135355      8.404547
  H      -5.752909      0.195230      7.002723
  H      -5.665356      1.742963      7.855636
  H      -3.471811      0.219050      6.357809
  H      -3.451310      0.728603      8.069392
  C      -2.917244      1.545260      2.555823
  C      -3.484321      0.111756      2.416687
  C      -4.650750     -0.024669      1.466758
  N      -4.864406      0.943023      0.588271
  C      -5.943696      0.826767     -0.232500
  N      -6.839238     -0.138641     -0.252583
  C      -6.641006     -1.155366      0.640546
  C      -7.579555     -2.215587      0.695689
  C      -7.400018     -3.253891      1.585292
  C      -6.277603     -3.277490      2.445121
  C      -5.353325     -2.252440      2.417891
  C      -5.518844     -1.163797      1.526136
  C      -4.278245      6.074294      5.453722
  C      -3.179561      6.899539      4.733010
  C      -2.816842      6.268211      3.419674
  N      -3.684537      6.453229      2.429696
  C      -3.443877      5.816164      1.256242
  N      -2.433182      5.019266      0.963234
  C      -1.508378      4.840024      1.952512
  C      -0.387477      4.010638      1.701469
  C       0.568627      3.819308      2.677581
  C       0.446717      4.454007      3.935468
  C      -0.637979      5.264130      4.206575
  C      -1.646330      5.467840      3.231583
  C      -6.979121      1.602497      5.252636
  C      -6.936657      0.386115      4.301444
  C      -8.241959      0.063739      3.643875
  N      -8.653487      0.920657      2.713198
  C      -9.803387      0.630051      2.055556
  N     -10.571720     -0.433542      2.202898
  C     -10.177666     -1.324820      3.160769
  C     -10.946586     -2.497814      3.364763
  C     -10.572931     -3.414413      4.325130
  C      -9.423783     -3.193816      5.120704
  C      -8.654069     -2.063558      4.937540
  C      -9.004550     -1.106694      3.951501
  H      -3.549778      2.230844      1.980260
  H      -1.911981      1.596270      2.099305
  H      -3.808945     -0.234697      3.410585
  H      -2.703786     -0.599829      2.095933
  H      -6.077650      1.644740     -0.947019
  H      -8.440242     -2.171765      0.027166
  H      -8.134626     -4.059225      1.637500
  H      -6.151413     -4.107937      3.141564
  H      -4.495967     -2.275728      3.091426
  H      -5.137061      5.997152      4.772693
  H      -4.607359      6.646585      6.344035
  H      -3.590090      7.899777      4.530094
  H      -2.306283      7.019016      5.387292
  H      -4.186531      5.981922      0.470079
  H      -0.311003      3.540803      0.719873
  H       1.432428      3.182487      2.477473
  H       1.219473      4.306428      4.692042
  H      -0.714010      5.756489      5.175735
  H      -7.663769      1.402237      6.098618
  H      -7.382849      2.459370      4.696902
  H      -6.226519      0.652239      3.507237
  H      -6.531269     -0.483973      4.834062
  H     -10.111123      1.360675      1.300977
  H     -11.830948     -2.642752      2.742618
  H     -11.167492     -4.316993      4.477706
  H      -9.145300     -3.925983      5.880416
  H      -7.766557     -1.908663      5.550995
  N      -5.321397      3.659417      3.371156
  N      -5.972212      4.008712      2.495917
88
Coordinates from ORCA-job orca E -6140.057342126776
  N      -2.839149      2.013211      3.936061
  Mo     -4.248452      3.027837      4.890191
  N      -5.637655      1.902019      5.732257
  C      -5.285754      1.196432      6.967349
  C      -3.775311      1.014045      7.051785
  N      -3.086879      2.256682      6.610944
  C      -1.717572      1.999104      6.095515
  C      -1.799163      1.356627      4.717711
  C      -3.108423      3.312383      7.656804
  C      -2.985412      4.684099      7.005283
  N      -3.858485      4.739048      5.838455
  H      -0.816257      1.455854      4.218390
  H      -1.989529      0.266338      4.807804
  H      -1.221321      2.975102      6.006816
  H      -1.141046      1.377227      6.804149
  H      -3.274916      5.452624      7.747211
  H      -1.926798      4.889086      6.748637
  H      -4.081297      3.241714      8.162017
  H      -2.314382      3.134967      8.404486
  H      -5.752692      0.194666      7.002131
  H      -5.665271      1.742142      7.855541
  H      -3.471635      0.218886      6.357225
  H      -3.451073      0.728135      8.068895
  C      -2.917655      1.545551      2.555613
  C      -3.484383      0.111901      2.416508
  C      -4.650664     -0.024862      1.466466
  N      -4.864091      0.942475      0.587532
  C      -5.943196      0.825909     -0.233438
  N      -6.838784     -0.139460     -0.253299
  C      -6.640828     -1.155784      0.640352
  C      -7.579556     -2.215828      0.695874
  C      -7.400361     -3.253694      1.586058
  C      -6.278048     -3.277071      2.446027
  C      -5.353581     -2.252205      2.418397
  C      -5.518817     -1.163931      1.526138
  C      -4.278238      6.074394      5.453990
  C      -3.179416      6.899477      4.733367
  C      -2.816728      6.268170      3.419999
  N      -3.684458      6.453206      2.430062
  C      -3.443871      5.816128      1.256598
  N      -2.433211      5.019203      0.963559
  C      -1.508295      4.840055      1.952751
  C      -0.387362      4.010751      1.701616
  C       0.568840      3.819482      2.677648
  C       0.446975      4.454153      3.935552
  C      -0.637760      5.264200      4.206749
  C      -1.646188      5.467865      3.231834
  C      -6.979216      1.602358      5.252619
  C      -6.936571      0.386332      4.300952
  C      -8.241858      0.063893      3.643405
  N      -8.653326      0.920496      2.712422
  C      -9.803289      0.629755      2.054931
  N     -10.571725     -0.433695      2.202706
  C     -10.177667     -1.324719      3.160820
  C     -10.946539     -2.497694      3.365077
  C     -10.572773     -3.414132      4.325550
  C      -9.423609     -3.193335      5.121047
  C      -8.653966     -2.063073      4.937646
  C      -9.004515     -1.106406      3.951434
  H      -3.550503      2.231038      1.980284
  H      -1.912518      1.596854      2.098855
  H      -3.809004     -0.234558      3.410406
  H      -2.703650     -0.599528      2.095889
  H      -6.076954      1.643566     -0.948357
  H      -8.440137     -2.172189      0.027203
  H      -8.135178     -4.058817      1.638636
  H      -6.152104     -4.107169      3.142930
  H      -4.496312     -2.275283      3.092055
  H      -5.137104      5.997446      4.773006
  H      -4.607198      6.646613      6.344401
  H      -3.589670      7.899829      4.530439
  H      -2.306136      7.018747      5.387690
  H      -4.186612      5.981814      0.470503
  H      -0.310926      3.540933      0.720009
  H       1.432677      3.182739      2.477448
  H       1.219798      4.306632      4.692068
  H      -0.713733      5.756515      5.175940
  H      -7.663770      1.401726      6.098583
  H      -7.383102      2.459381      4.697226
  H      -6.226514      0.652961      3.506855
  H      -6.531092     -0.483893      4.833269
  H     -10.110970      1.360129      1.300087
  H     -11.830896     -2.642791      2.742960
  H     -11.167227     -4.316760      4.478239
  H      -9.145033     -3.925369      5.880853
  H      -7.766401     -1.908018      5.550994
  N      -5.321864      3.659710      3.371405
  N      -5.973067      4.009156      2.496522
