95
Coordinates from ORCA-job orca E -6661.118188218388
  N      -2.853599      0.599259      4.417623
  Mo     -3.589255      2.317473      5.090092
  N      -4.815774      1.477966      6.300806
  C      -4.357548      0.710089      7.439431
  C      -2.878398      0.368032      7.261797
  N      -2.185254      1.504309      6.625727
  C      -0.986100      1.040609      5.922120
  C      -1.434493      0.378464      4.595274
  C      -1.820716      2.499199      7.647248
  C      -1.844642      3.860654      6.962791
  N      -3.059299      3.847717      6.197332
  H      -0.865692      0.819607      3.763343
  H      -1.198911     -0.692034      4.635702
  H      -0.352872      1.904566      5.712836
  H      -0.424781      0.336478      6.548327
  H      -1.838725      4.665709      7.704432
  H      -0.969417      3.998636      6.305250
  H      -2.598461      2.507024      8.414310
  H      -0.853644      2.262370      8.102893
  H      -4.940409     -0.219152      7.550680
  H      -4.506292      1.295668      8.357895
  H      -2.782329     -0.507877      6.620080
  H      -2.414612      0.137291      8.227854
  C       0.212268     -1.725572     -2.051587
  C      -1.278315     -1.547563     -2.032408
  O      -1.922732     -1.538527     -3.072422
  C      -1.958928     -1.378921     -0.730846
  C      -3.341865     -1.191328     -0.768948
  C      -4.113316     -1.024731      0.367722
  O      -5.441038     -0.855998      0.222665
  C      -3.483466     -1.015554      1.642938
  C      -4.277564     -0.799203      2.831570
  O      -5.528020     -0.755723      2.775827
  C      -3.644933     -0.600592      4.212451
  C      -2.094682     -1.223977      1.675699
  C      -1.334137     -1.403342      0.537507
  O       0.002041     -1.606567      0.641939
  C      -9.917098      9.280628      5.868468
  C      -9.777715      8.007886      5.082694
  O     -10.733428      7.613960      4.382575
  C      -8.542461      7.258980      5.158663
  C      -7.504823      7.595305      6.048785
  C      -6.345385      6.862832      6.144056
  O      -5.364578      7.207840      7.019453
  C      -6.162066      5.713927      5.330322
  C      -5.042294      4.828113      5.430859
  O      -4.986529      3.784690      4.721164
  C      -3.863572      5.026980      6.326526
  C      -7.187952      5.391417      4.423405
  C      -8.350620      6.123265      4.326128
  O      -9.283313      5.726886      3.438118
  C     -12.470124      5.902705      6.665711
  C     -11.166845      6.243748      7.349174
  O     -11.088932      7.276398      8.007875
  C     -10.007552      5.340248      7.254799
  C      -8.952083      5.634942      8.128123
  C      -7.789573      4.894379      8.191545
  O      -6.834854      5.278166      9.058633
  C      -7.634752      3.766118      7.342181
  C      -6.388459      3.023367      7.365165
  O      -5.470411      3.319506      8.147206
  C      -6.202689      1.833884      6.422215
  C      -8.692805      3.465425      6.475523
  C      -9.849478      4.221938      6.405412
  O     -10.753218      3.810693      5.480532
  H       0.696419     -0.876479     -1.575808
  H       0.546675     -1.815567     -3.082506
  H       0.487226     -2.617696     -1.494281
  H      -3.829743     -1.185711     -1.731885
  H      -5.825590     -0.830538      1.137576
  H      -4.508913     -0.573336      4.895042
  H      -3.060089     -1.505717      4.430810
  H      -1.599347     -1.263065      2.630644
  H       0.262273     -1.603297      1.574183
  H     -10.051838      9.027189      6.920891
  H      -9.044153      9.916798      5.757857
  H     -10.805637      9.808435      5.528940
  H      -7.635591      8.442161      6.704969
  H      -5.665549      7.946656      7.566669
  H      -3.322806      5.943559      6.033930
  H      -4.184783      5.162999      7.369922
  H      -7.076818      4.524300      3.791899
  H     -10.052408      6.343839      3.551477
  H     -12.405074      6.184590      5.612206
  H     -12.731290      4.852787      6.772460
  H     -13.253606      6.514074      7.111248
  H      -9.061431      6.483746      8.786086
  H      -6.087021      4.633618      8.950150
  H      -6.590427      2.100185      5.436113
  H      -6.811023      1.005188      6.823087
  H      -8.638168      2.621169      5.808610
  H     -11.409274      4.496105      5.306591
  N      -2.501952      3.231702      3.503001
  H      -1.846528      4.015443      3.597049
  H      -2.543901      2.963786      2.513487
95
Coordinates from ORCA-job orca E -6661.134164594025
  N      -2.847858      0.542627      4.432725
  Mo     -3.564516      2.280719      5.110710
  N      -4.829683      1.452225      6.329537
  C      -4.369761      0.673351      7.474986
  C      -2.893525      0.319090      7.300136
  N      -2.179786      1.458486      6.661031
  C      -0.975787      0.980934      5.945799
  C      -1.424863      0.316076      4.614336
  C      -1.814750      2.470300      7.682430
  C      -1.822747      3.827953      6.986599
  N      -3.035224      3.826063      6.205731
  H      -0.847657      0.755901      3.783322
  H      -1.197458     -0.760461      4.651550
  H      -0.336441      1.845769      5.736903
  H      -0.415964      0.274933      6.579006
  H      -1.815410      4.641247      7.726349
  H      -0.933724      3.951684      6.338970
  H      -2.600303      2.485245      8.446572
  H      -0.849209      2.226231      8.148479
  H      -4.961535     -0.253877      7.586706
  H      -4.512595      1.260093      8.396900
  H      -2.796710     -0.559105      6.655474
  H      -2.430501      0.083709      8.270316
  C       0.246026     -1.654497     -2.116393
  C      -1.242738     -1.424577     -2.062137
  O      -1.895213     -1.348692     -3.100013
  C      -1.932150     -1.282927     -0.742493
  C      -3.310698     -1.044054     -0.794066
  C      -4.097420     -0.891269      0.342076
  O      -5.415704     -0.667961      0.187782
  C      -3.486563     -0.954596      1.629101
  C      -4.295730     -0.758120      2.821067
  O      -5.542284     -0.663590      2.747613
  C      -3.672737     -0.635469      4.217199
  C      -2.104039     -1.212767      1.678766
  C      -1.326690     -1.377042      0.541122
  O       0.008300     -1.631602      0.659627
  C     -10.092505      9.126308      5.561415
  C      -9.838062      7.872627      4.767212
  O     -10.729558      7.448721      3.988246
  C      -8.577984      7.165334      4.919851
  C      -7.597984      7.535306      5.870376
  C      -6.420505      6.830610      6.035483
  O      -5.507285      7.182453      6.988034
  C      -6.158046      5.683894      5.228590
  C      -5.028449      4.814142      5.386183
  O      -4.958558      3.744634      4.691323
  C      -3.856063      5.017395      6.302599
  C      -7.128155      5.328643      4.263662
  C      -8.309684      6.026868      4.104745
  O      -9.203650      5.587530      3.194486
  C     -12.408379      6.101828      6.912008
  C     -11.089454      6.379352      7.602466
  O     -10.975457      7.398502      8.290212
  C      -9.955606      5.431652      7.474653
  C      -8.876185      5.661079      8.345138
  C      -7.737773      4.875498      8.358632
  O      -6.733410      5.209225      9.197217
  C      -7.640003      3.761704      7.471654
  C      -6.407854      2.988803      7.454080
  O      -5.479734      3.244307      8.255614
  C      -6.228499      1.822857      6.462332
  C      -8.721814      3.524186      6.605480
  C      -9.849812      4.335330      6.576201
  O     -10.773724      4.013119      5.626073
  H       0.776756     -0.841180     -1.609123
  H       0.557951     -1.710142     -3.163585
  H       0.505579     -2.585225     -1.599777
  H      -3.784133     -0.983252     -1.771849
  H      -5.801505     -0.654592      1.111627
  H      -4.543676     -0.600691      4.892761
  H      -3.111917     -1.565239      4.423721
  H      -1.621770     -1.304745      2.648959
  H       0.246862     -1.669517      1.601926
  H     -10.296709      8.842129      6.605812
  H      -9.236791      9.808929      5.530878
  H     -10.980692      9.624475      5.161767
  H      -7.792832      8.382689      6.525957
  H      -5.869162      7.908423      7.524660
  H      -3.304182      5.930404      6.005630
  H      -4.196412      5.176551      7.339155
  H      -6.959541      4.452432      3.643224
  H     -10.011148      6.169489      3.312834
  H     -12.334696      6.407685      5.856414
  H     -12.709337      5.050573      6.989369
  H     -13.174688      6.731653      7.375234
  H      -8.941244      6.503083      9.030391
  H      -6.016052      4.531349      9.034574
  H      -6.622555      2.113299      5.481451
  H      -6.844451      0.984961      6.841323
  H      -8.699948      2.700704      5.896002
  H     -11.377517      4.758240      5.466946
  N      -2.452496      3.164763      3.535939
  H      -1.808364      3.951868      3.628026
  H      -2.477375      2.882550      2.553651
95
Coordinates from ORCA-job orca E -6661.140489332617
  N      -2.826502      0.497454      4.487327
  Mo     -3.485627      2.273106      5.176998
  N      -4.762489      1.476653      6.454378
  C      -4.261702      0.712518      7.608936
  C      -2.796471      0.335041      7.392344
  N      -2.075568      1.457048      6.704625
  C      -0.898445      0.945721      5.940643
  C      -1.397028      0.261300      4.630912
  C      -1.667261      2.498869      7.694005
  C      -1.672051      3.839039      6.966645
  N      -2.907425      3.846364      6.214511
  H      -0.836795      0.684555      3.777184
  H      -1.184527     -0.821909      4.672415
  H      -0.257449      1.804483      5.698144
  H      -0.322768      0.246192      6.572961
  H      -1.631435      4.670388      7.691105
  H      -0.791379      3.931493      6.298335
  H      -2.433641      2.535521      8.480550
  H      -0.690542      2.245308      8.139985
  H      -4.855719     -0.211301      7.755455
  H      -4.371478      1.316141      8.525881
  H      -2.723102     -0.555430      6.756381
  H      -2.300168      0.110044      8.352333
  C       0.039622     -1.637095     -2.192299
  C      -1.434010     -1.322581     -2.076562
  O      -2.110401     -1.164049     -3.093657
  C      -2.095107     -1.193922     -0.723829
  C      -3.459657     -0.871684     -0.739119
  C      -4.214880     -0.717719      0.426400
  O      -5.520181     -0.410531      0.319853
  C      -3.579000     -0.872208      1.696554
  C      -4.359224     -0.682608      2.918995
  O      -5.596888     -0.507258      2.866593
  C      -3.702496     -0.649213      4.306010
  C      -2.211678     -1.212604      1.710584
  C      -1.467435     -1.375861      0.544002
  O      -0.137739     -1.713551      0.608834
  C      -9.950611      9.230845      5.727874
  C      -9.741858      7.958079      4.942498
  O     -10.687688      7.523330      4.219731
  C      -8.478783      7.234483      5.038784
  C      -7.451974      7.603043      5.946218
  C      -6.278243      6.875283      6.073402
  O      -5.316092      7.203762      6.996215
  C      -6.063962      5.712021      5.268013
  C      -4.938231      4.834705      5.413002
  O      -4.895006      3.727877      4.739739
  C      -3.733129      5.048887      6.291246
  C      -7.077484      5.357513      4.337433
  C      -8.258420      6.077858      4.219257
  O      -9.197463      5.658214      3.344919
  C     -12.550215      5.747528      6.455896
  C     -11.297596      6.168482      7.203131
  O     -11.290499      7.255922      7.799820
  C     -10.095791      5.286219      7.226744
  C      -9.077772      5.656333      8.128712
  C      -7.895143      4.940999      8.259749
  O      -6.951022      5.402149      9.112287
  C      -7.689641      3.761443      7.465291
  C      -6.419151      3.050749      7.534618
  O      -5.513759      3.401473      8.344124
  C      -6.173484      1.842388      6.597240
  C      -8.712907      3.387204      6.568445
  C      -9.884241      4.125277      6.423749
  O     -10.745543      3.672821      5.456871
  H       0.642833     -0.878764     -1.665097
  H       0.310725     -1.663368     -3.256698
  H       0.267313     -2.607782     -1.720356
  H      -3.947166     -0.742073     -1.710409
  H      -5.865578     -0.403456      1.269506
  H      -4.554656     -0.591402      5.004707
  H      -3.171519     -1.606693      4.488357
  H      -1.711701     -1.372623      2.672098
  H       0.116379     -1.801412      1.547252
  H     -10.097604      8.979910      6.793898
  H      -9.090865      9.914962      5.641459
  H     -10.860018      9.727846      5.362647
  H      -7.608129      8.462971      6.608289
  H      -5.650126      7.936416      7.548820
  H      -3.176448      5.948728      5.954752
  H      -4.049725      5.250135      7.330820
  H      -6.941955      4.468405      3.716638
  H      -9.980685      6.286855      3.500125
  H     -12.424822      5.959989      5.373558
  H     -12.794707      4.682151      6.603842
  H     -13.387397      6.365888      6.809073
  H      -9.228767      6.552419      8.737862
  H      -6.196890      4.732776      9.032656
  H      -6.583641      2.079550      5.605404
  H      -6.768081      0.997282      7.001734
  H      -8.599476      2.511403      5.921316
  H     -11.376659      4.376650      5.208682
  N      -2.397306      3.089598      3.571391
  H      -1.765799      3.885945      3.626410
  H      -2.433063      2.770704      2.603520
95
Coordinates from ORCA-job orca E -6661.145602698648
  N      -2.825633      0.451119      4.492866
  Mo     -3.493378      2.236739      5.176984
  N      -4.795786      1.443634      6.456887
  C      -4.292433      0.689556      7.616789
  C      -2.826890      0.314852      7.407501
  N      -2.102706      1.437393      6.721624
  C      -0.918577      0.929043      5.963776
  C      -1.398510      0.229557      4.655796
  C      -1.715739      2.497226      7.702556
  C      -1.722950      3.833833      6.967944
  N      -2.944729      3.831708      6.196659
  H      -0.831516      0.651793      3.807386
  H      -1.181021     -0.852243      4.705329
  H      -0.286301      1.793351      5.722814
  H      -0.341318      0.243411      6.608453
  H      -1.699406      4.667399      7.689860
  H      -0.831460      3.931341      6.316268
  H      -2.491593      2.525894      8.479202
  H      -0.743736      2.252281      8.161677
  H      -4.883817     -0.234310      7.768630
  H      -4.406377      1.299339      8.529576
  H      -2.739361     -0.574058      6.771991
  H      -2.332595      0.095852      8.369147
  C       0.084108     -1.571944     -2.161376
  C      -1.378331     -1.211718     -2.069244
  O      -2.027026     -0.996304     -3.092085
  C      -2.061873     -1.107323     -0.725113
  C      -3.412660     -0.740140     -0.746499
  C      -4.174087     -0.603207      0.418182
  O      -5.467791     -0.251717      0.315312
  C      -3.553815     -0.826557      1.685313
  C      -4.344692     -0.664006      2.906536
  O      -5.572834     -0.437391      2.841669
  C      -3.702558     -0.688802      4.298787
  C      -2.199149     -1.211310      1.702143
  C      -1.452934     -1.355313      0.536246
  O      -0.132930     -1.737312      0.585772
  C     -10.064451      9.089766      5.482820
  C      -9.793421      7.835599      4.691907
  O     -10.692580      7.399028      3.910958
  C      -8.532869      7.125526      4.842077
  C      -7.550983      7.505153      5.792227
  C      -6.377592      6.790250      5.966001
  O      -5.455850      7.124589      6.928420
  C      -6.118228      5.629401      5.170337
  C      -4.986476      4.774056      5.354499
  O      -4.925216      3.654333      4.696590
  C      -3.796584      5.016812      6.246219
  C      -7.089239      5.259741      4.200519
  C      -8.270755      5.968887      4.033779
  O      -9.172708      5.546559      3.123703
  C     -12.448847      5.969455      6.717743
  C     -11.171107      6.296730      7.466047
  O     -11.119479      7.338180      8.134559
  C      -9.997179      5.377753      7.418848
  C      -8.957206      5.667600      8.322325
  C      -7.798769      4.906131      8.394835
  O      -6.820587      5.279873      9.251425
  C      -7.648963      3.763769      7.540455
  C      -6.404966      3.011156      7.570727
  O      -5.490915      3.306285      8.392248
  C      -6.194858      1.826760      6.602443
  C      -8.692022      3.471215      6.636631
  C      -9.835998      4.257870      6.547786
  O     -10.723833      3.887528      5.569092
  H       0.700204     -0.856465     -1.592996
  H       0.377812     -1.571108     -3.218278
  H       0.269734     -2.562803     -1.715990
  H      -3.881309     -0.559782     -1.716719
  H      -5.812787     -0.260020      1.268028
  H      -4.557433     -0.637302      4.993699
  H      -3.177913     -1.650964      4.467531
  H      -1.713749     -1.421981      2.658744
  H       0.110955     -1.866357      1.520770
  H     -10.265693      8.822108      6.534697
  H      -9.212699      9.786637      5.458247
  H     -10.957708      9.579710      5.074951
  H      -7.741325      8.362850      6.445064
  H      -5.827120      7.845323      7.470742
  H      -3.247607      5.920353      5.909930
  H      -4.132696      5.227475      7.277593
  H      -6.916261      4.374284      3.587514
  H      -9.963719      6.180128      3.254277
  H     -12.336180      6.244848      5.649392
  H     -12.728245      4.907102      6.797236
  H     -13.257089      6.591868      7.123116
  H      -9.070196      6.534104      8.977576
  H      -6.100459      4.577903      9.116853
  H      -6.600981      2.093855      5.617636
  H      -6.803786      0.982138      6.984970
  H      -8.613135      2.631993      5.942506
  H     -11.319111      4.630883      5.361007
  N      -2.388214      3.023255      3.586262
  H      -1.802471      3.856437      3.627200
  H      -2.386620      2.667462      2.629543
95
Coordinates from ORCA-job orca E -6661.148926321957
  N      -2.842642      0.424941      4.501070
  Mo     -3.494444      2.223628      5.186311
  N      -4.798677      1.441444      6.487636
  C      -4.282807      0.705517      7.648614
  C      -2.823904      0.321987      7.425441
  N      -2.101731      1.432157      6.724267
  C      -0.929614      0.912951      5.959500
  C      -1.419055      0.200361      4.664432
  C      -1.707191      2.505173      7.685302
  C      -1.716580      3.835185      6.939289
  N      -2.938192      3.833052      6.172430
  H      -0.852477      0.611286      3.811203
  H      -1.206725     -0.881291      4.723531
  H      -0.299985      1.773976      5.705542
  H      -0.347655      0.236587      6.608143
  H      -1.687313      4.672394      7.655320
  H      -0.827042      3.927052      6.285723
  H      -2.477163      2.538856      8.466459
  H      -0.733970      2.262121      8.140560
  H      -4.873253     -0.215158      7.819275
  H      -4.385364      1.326146      8.555042
  H      -2.743634     -0.569446      6.794197
  H      -2.318471      0.108574      8.381617
  C       0.079303     -1.535725     -2.133281
  C      -1.369899     -1.134335     -2.038686
  O      -2.003146     -0.868358     -3.056940
  C      -2.062871     -1.046938     -0.699537
  C      -3.398359     -0.635674     -0.728154
  C      -4.169631     -0.505268      0.429716
  O      -5.449696     -0.111804      0.317707
  C      -3.570975     -0.783614      1.696100
  C      -4.365614     -0.633337      2.916265
  O      -5.583420     -0.353517      2.855375
  C      -3.724844     -0.706513      4.304268
  C      -2.230802     -1.212695      1.719023
  C      -1.477874     -1.349167      0.559927
  O      -0.172509     -1.774820      0.615972
  C     -10.026222      9.089360      5.460048
  C      -9.770245      7.829842      4.676879
  O     -10.677973      7.394676      3.906420
  C      -8.517088      7.114799      4.817549
  C      -7.523819      7.506509      5.747163
  C      -6.356938      6.788270      5.920264
  O      -5.424952      7.138706      6.865213
  C      -6.113903      5.609831      5.145677
  C      -4.987657      4.752399      5.337117
  O      -4.943570      3.619111      4.700254
  C      -3.791289      5.011007      6.211686
  C      -7.095211      5.229827      4.192722
  C      -8.273304      5.942722      4.026513
  O      -9.189978      5.509445      3.138502
  C     -12.452841      5.937562      6.721275
  C     -11.171074      6.272489      7.453995
  O     -11.109223      7.328045      8.093624
  C      -9.999162      5.352291      7.419718
  C      -8.953245      5.661816      8.307068
  C      -7.793612      4.902614      8.384411
  O      -6.805650      5.288949      9.222195
  C      -7.651397      3.748387      7.550354
  C      -6.406602      3.001081      7.585782
  O      -5.493596      3.312390      8.398128
  C      -6.191910      1.815024      6.631567
  C      -8.700388      3.437085      6.661971
  C      -9.845783      4.217783      6.571043
  O     -10.741297      3.826155      5.609734
  H       0.712292     -0.860622     -1.540001
  H       0.378420     -1.511093     -3.186767
  H       0.232471     -2.541759     -1.717387
  H      -3.845889     -0.414125     -1.697312
  H      -5.808787     -0.131111      1.265879
  H      -4.573570     -0.659676      5.007035
  H      -3.204133     -1.671729      4.452256
  H      -1.764385     -1.462243      2.673080
  H       0.051013     -1.934858      1.550477
  H     -10.216430      8.836648      6.516619
  H      -9.172104      9.779189      5.422116
  H     -10.918277      9.581496      5.056828
  H      -7.700072      8.375863      6.383908
  H      -5.793701      7.864249      7.400778
  H      -3.246894      5.910175      5.860029
  H      -4.118356      5.236667      7.241762
  H      -6.933498      4.333767      3.596234
  H      -9.978456      6.148577      3.271013
  H     -12.345118      6.183794      5.647859
  H     -12.739205      4.881472      6.825062
  H     -13.253073      6.575300      7.113994
  H      -9.062102      6.540448      8.942571
  H      -6.085705      4.584802      9.089800
  H      -6.601032      2.070691      5.646202
  H      -6.795053      0.968776      7.018996
  H      -8.623596      2.590343      5.981798
  H     -11.330092      4.566926      5.383315
  N      -2.398624      2.966861      3.585167
  H      -1.866683      3.837610      3.588622
  H      -2.373091      2.565264      2.646211
95
Coordinates from ORCA-job orca E -6661.151585379857
  N      -2.848666      0.402466      4.511517
  Mo     -3.488084      2.212691      5.204556
  N      -4.797746      1.437503      6.523992
  C      -4.269368      0.713711      7.682940
  C      -2.816461      0.322172      7.445371
  N      -2.095611      1.424521      6.735026
  C      -0.932082      0.898572      5.964351
  C      -1.427504      0.175065      4.679036
  C      -1.697102      2.508471      7.681397
  C      -1.711742      3.835234      6.929244
  N      -2.932957      3.833701      6.163377
  H      -0.857179      0.575790      3.822905
  H      -1.218945     -0.906842      4.746754
  H      -0.304656      1.757945      5.700132
  H      -0.345050      0.229447      6.616063
  H      -1.679960      4.673084      7.644539
  H      -0.822754      3.927532      6.275163
  H      -2.462268      2.543799      8.467198
  H      -0.721639      2.269197      8.134124
  H      -4.859037     -0.204996      7.869999
  H      -4.359333      1.340508      8.586556
  H      -2.744553     -0.569314      6.813384
  H      -2.301184      0.108057      8.396457
  C       0.052746     -1.530241     -2.143542
  C      -1.376089     -1.067467     -2.034203
  O      -1.994646     -0.739641     -3.042907
  C      -2.068171     -0.992994     -0.694102
  C      -3.382469     -0.519417     -0.713958
  C      -4.151024     -0.389974      0.445274
  O      -5.410992      0.067117      0.345619
  C      -3.571157     -0.736162      1.701227
  C      -4.368079     -0.592242      2.920016
  O      -5.572234     -0.255617      2.859645
  C      -3.734042     -0.722637      4.304592
  C      -2.252739     -1.227977      1.716745
  C      -1.502950     -1.362232      0.556567
  O      -0.219106     -1.849677      0.605034
  C     -10.029084      9.061192      5.423286
  C      -9.775832      7.790769      4.658860
  O     -10.690784      7.340393      3.905747
  C      -8.522870      7.080390      4.798649
  C      -7.524964      7.487746      5.715520
  C      -6.359280      6.772380      5.893850
  O      -5.421501      7.146634      6.823317
  C      -6.121585      5.578384      5.140115
  C      -4.993799      4.724920      5.337822
  O      -4.959195      3.580714      4.717173
  C      -3.793502      5.001768      6.198329
  C      -7.107633      5.184211      4.198994
  C      -8.284223      5.896804      4.024490
  O      -9.201283      5.459133      3.140796
  C     -12.439960      5.927054      6.695734
  C     -11.164565      6.271602      7.431881
  O     -11.113972      7.326951      8.069851
  C      -9.987087      5.356642      7.412268
  C      -8.946125      5.680093      8.298600
  C      -7.784140      4.924284      8.391008
  O      -6.807774      5.320244      9.235593
  C      -7.636272      3.762026      7.568117
  C      -6.392857      3.008613      7.611579
  O      -5.476006      3.324899      8.414855
  C      -6.184062      1.816030      6.670626
  C      -8.681200      3.439756      6.679889
  C      -9.829004      4.214369      6.578644
  O     -10.726525      3.802116      5.628617
  H       0.715176     -0.907084     -1.527415
  H       0.352833     -1.482720     -3.195693
  H       0.161172     -2.554592     -1.761608
  H      -3.813682     -0.245561     -1.676619
  H      -5.770095      0.042199      1.292988
  H      -4.578366     -0.686302      5.014128
  H      -3.215209     -1.690879      4.428415
  H      -1.803253     -1.527900      2.663937
  H      -0.009927     -2.047831      1.535642
  H     -10.203808      8.830867      6.487698
  H      -9.179173      9.754055      5.363840
  H     -10.926942      9.542904      5.021401
  H      -7.695786      8.368676      6.336449
  H      -5.793597      7.875648      7.351660
  H      -3.259705      5.903627      5.837588
  H      -4.114976      5.234530      7.228809
  H      -6.947285      4.280080      3.615069
  H      -9.978497      6.117474      3.249980
  H     -12.329225      6.166689      5.622027
  H     -12.722050      4.870350      6.800740
  H     -13.244419      6.563629      7.080462
  H      -9.062171      6.565040      8.922989
  H      -6.084079      4.614263      9.122528
  H      -6.595555      2.067373      5.684946
  H      -6.791903      0.973931      7.062205
  H      -8.598986      2.586991      6.008779
  H     -11.315589      4.537157      5.385887
  N      -2.403825      2.915188      3.597869
  H      -1.925754      3.815995      3.563994
  H      -2.355292      2.472546      2.678687
95
Coordinates from ORCA-job orca E -6661.153788627024
  N      -2.861591      0.387933      4.512849
  Mo     -3.484303      2.210222      5.212326
  N      -4.791822      1.442043      6.552146
  C      -4.251271      0.729130      7.709258
  C      -2.804899      0.328264      7.455037
  N      -2.086446      1.422007      6.732193
  C      -0.933626      0.885046      5.954581
  C      -1.442221      0.149955      4.681066
  C      -1.677362      2.514644      7.664417
  C      -1.696743      3.837786      6.905341
  N      -2.921794      3.839144      6.144158
  H      -0.867816      0.534088      3.819066
  H      -1.241844     -0.932891      4.759985
  H      -0.305182      1.739448      5.676015
  H      -0.341960      0.220525      6.607345
  H      -1.657621      4.677190      7.619003
  H      -0.811129      3.927528      6.246158
  H      -2.434373      2.556590      8.458085
  H      -0.698043      2.278387      8.111232
  H      -4.840202     -0.187080      7.914524
  H      -4.326336      1.362075      8.610231
  H      -2.747275     -0.564654      6.823217
  H      -2.278824      0.112047      8.400296
  C       0.057938     -1.555573     -2.120144
  C      -1.351090     -1.033123     -2.021750
  O      -1.938783     -0.654464     -3.031861
  C      -2.056314     -0.962128     -0.689729
  C      -3.349188     -0.431296     -0.709095
  C      -4.123051     -0.298771      0.446108
  O      -5.361708      0.214319      0.347566
  C      -3.571848     -0.701198      1.697610
  C      -4.375037     -0.553171      2.912180
  O      -5.561591     -0.156741      2.850807
  C      -3.752880     -0.730535      4.295091
  C      -2.275458     -1.250177      1.712558
  C      -1.520591     -1.387204      0.555600
  O      -0.258987     -1.929946      0.602227
  C      -9.994227      9.088095      5.441596
  C      -9.761124      7.809574      4.683834
  O     -10.687192      7.368187      3.938649
  C      -8.513306      7.087999      4.814840
  C      -7.495001      7.503189      5.706205
  C      -6.331294      6.782367      5.875253
  O      -5.370404      7.171538      6.774972
  C      -6.117050      5.572360      5.140378
  C      -4.991291      4.714886      5.336077
  O      -4.972310      3.558997      4.734225
  C      -3.782594      5.004746      6.178284
  C      -7.122729      5.170957      4.223713
  C      -8.297130      5.889499      4.057129
  O      -9.233445      5.442390      3.199575
  C     -12.480353      5.864816      6.682212
  C     -11.201885      6.237426      7.398671
  O     -11.153052      7.310541      8.006006
  C     -10.015702      5.331443      7.392299
  C      -8.971052      5.686655      8.261836
  C      -7.801342      4.943419      8.364910
  O      -6.824581      5.364805      9.195564
  C      -7.647449      3.766276      7.566915
  C      -6.394556      3.025578      7.620636
  O      -5.480227      3.369991      8.413365
  C      -6.177104      1.818298      6.700865
  C      -8.695002      3.412182      6.695191
  C      -9.853893      4.170068      6.586820
  O     -10.757717      3.719932      5.660551
  H       0.736427     -0.977513     -1.477199
  H       0.378071     -1.495983     -3.165822
  H       0.115391     -2.592897     -1.761251
  H      -3.758112     -0.113873     -1.668341
  H      -5.732019      0.178950      1.289523
  H      -4.594815     -0.702790      5.008628
  H      -3.236936     -1.702051      4.398710
  H      -1.848247     -1.591005      2.656780
  H      -0.066126     -2.160305      1.528904
  H     -10.158955      8.870573      6.510052
  H      -9.137932      9.772270      5.367795
  H     -10.890967      9.576461      5.044824
  H      -7.645697      8.398785      6.311653
  H      -5.729423      7.908253      7.301867
  H      -3.257887      5.907421      5.805487
  H      -4.093908      5.246005      7.210898
  H      -6.979484      4.255073      3.653156
  H     -10.006846      6.102611      3.316260
  H     -12.378509      6.072592      5.600716
  H     -12.756747      4.810046      6.819270
  H     -13.285063      6.509135      7.053803
  H      -9.091752      6.585870      8.865298
  H      -6.094047      4.667017      9.090781
  H      -6.593530      2.054514      5.713013
  H      -6.782992      0.979220      7.103664
  H      -8.607893      2.544753      6.043099
  H     -11.355240      4.440948      5.396337
  N      -2.419752      2.870841      3.591386
  H      -1.999372      3.797284      3.511733
  H      -2.353242      2.387774      2.694383
95
Coordinates from ORCA-job orca E -6661.155614098935
  N      -2.878431      0.384825      4.504015
  Mo     -3.493092      2.213888      5.210343
  N      -4.794366      1.442035      6.562336
  C      -4.246717      0.735433      7.717451
  C      -2.804284      0.331359      7.450993
  N      -2.089876      1.422824      6.721811
  C      -0.943022      0.880042      5.940120
  C      -1.461002      0.134994      4.675437
  C      -1.675068      2.520496      7.646896
  C      -1.700519      3.843348      6.885906
  N      -2.928190      3.846800      6.125495
  H      -0.880445      0.502266      3.809342
  H      -1.269048     -0.948563      4.764990
  H      -0.314494      1.730900      5.650524
  H      -0.347275      0.218620      6.592461
  H      -1.658825      4.682192      7.600356
  H      -0.817556      3.935138      6.223545
  H      -2.425573      2.565500      8.446720
  H      -0.692340      2.288915      8.088967
  H      -4.833382     -0.179663      7.935840
  H      -4.312047      1.371950      8.617689
  H      -2.758420     -0.560583      6.816557
  H      -2.270850      0.110254      8.391235
  C       0.103162     -1.622475     -2.095604
  C      -1.281943     -1.035053     -2.012847
  O      -1.831167     -0.609953     -3.026989
  C      -2.006718     -0.955789     -0.693413
  C      -3.273447     -0.363653     -0.724010
  C      -4.062037     -0.216183      0.419088
  O      -5.271723      0.359874      0.305920
  C      -3.555483     -0.668289      1.673802
  C      -4.372082     -0.508140      2.879165
  O      -5.538989     -0.056474      2.811780
  C      -3.772753     -0.727750      4.264331
  C      -2.285597     -1.277106      1.699570
  C      -1.515505     -1.428207      0.553595
  O      -0.282180     -2.030618      0.614811
  C     -10.017468      9.082132      5.439209
  C      -9.788773      7.792806      4.697580
  O     -10.726981      7.329989      3.981798
  C      -8.533841      7.080118      4.819572
  C      -7.502467      7.509201      5.690140
  C      -6.335946      6.790175      5.855472
  O      -5.362664      7.193583      6.735970
  C      -6.132709      5.568127      5.137668
  C      -5.005848      4.710991      5.333067
  O      -4.995888      3.546312      4.747082
  C      -3.790293      5.011776      6.162018
  C      -7.150163      5.155216      4.239454
  C      -8.325833      5.872315      4.076029
  O      -9.270772      5.415939      3.232525
  C     -12.479609      5.880722      6.714923
  C     -11.197663      6.248734      7.428220
  O     -11.140351      7.324138      8.031263
  C     -10.016141      5.335319      7.419837
  C      -8.963170      5.693200      8.278352
  C      -7.795058      4.947231      8.377517
  O      -6.810155      5.372125      9.196782
  C      -7.650200      3.765665      7.585983
  C      -6.395083      3.024909      7.635530
  O      -5.477426      3.375192      8.420871
  C      -6.179979      1.815277      6.717050
  C      -8.705045      3.407930      6.725580
  C      -9.864871      4.166746      6.622098
  O     -10.779371      3.708707      5.710363
  H       0.795320     -1.089476     -1.428233
  H       0.447085     -1.558569     -3.133668
  H       0.103696     -2.668364     -1.756671
  H      -3.649093     -0.008170     -1.683907
  H      -5.663369      0.326588      1.239323
  H      -4.618354     -0.711842      4.974091
  H      -3.258675     -1.701661      4.349911
  H      -1.891638     -1.653666      2.645317
  H      -0.117435     -2.286841      1.540099
  H     -10.154153      8.881187      6.514488
  H      -9.170266      9.773939      5.332881
  H     -10.928330      9.554908      5.055489
  H      -7.645158      8.414242      6.284001
  H      -5.715719      7.934673      7.260809
  H      -3.275554      5.917155      5.782005
  H      -4.093572      5.255612      7.196899
  H      -7.014695      4.231102      3.679667
  H     -10.036433      6.084917      3.336525
  H     -12.375819      6.081339      5.631890
  H     -12.763610      4.828624      6.858762
  H     -13.279262      6.533492      7.083278
  H      -9.075433      6.598199      8.875417
  H      -6.081706      4.675738      9.089467
  H      -6.602172      2.050411      5.731046
  H      -6.785127      0.977610      7.123709
  H      -8.624369      2.536374      6.077524
  H     -11.376019      4.427925      5.438931
  N      -2.449447      2.844069      3.574439
  H      -2.091675      3.792018      3.449139
  H      -2.363853      2.326344      2.698874
95
Coordinates from ORCA-job orca E -6661.157171671116
  N      -2.891714      0.381578      4.508880
  Mo     -3.503330      2.216299      5.216729
  N      -4.794870      1.438018      6.578266
  C      -4.242453      0.735723      7.731950
  C      -2.802729      0.331220      7.455148
  N      -2.094033      1.423233      6.721704
  C      -0.950811      0.877151      5.937433
  C      -1.476857      0.119182      4.683222
  C      -1.676113      2.524905      7.641838
  C      -1.707512      3.847991      6.879760
  N      -2.936753      3.852283      6.118008
  H      -0.889794      0.465859      3.812244
  H      -1.294499     -0.964730      4.786837
  H      -0.324393      1.725459      5.636114
  H      -0.350069      0.220178      6.589388
  H      -1.666221      4.686331      7.594746
  H      -0.826813      3.942956      6.215251
  H      -2.421223      2.571488      8.446641
  H      -0.690323      2.299035      8.079795
  H      -4.826399     -0.178426      7.961591
  H      -4.300232      1.375466      8.631183
  H      -2.767485     -0.558559      6.816841
  H      -2.262693      0.104796      8.390249
  C       0.118364     -1.673488     -2.100956
  C      -1.239674     -1.024193     -2.016041
  O      -1.759784     -0.553428     -3.025934
  C      -1.971079     -0.940471     -0.702336
  C      -3.211262     -0.292010     -0.730424
  C      -4.004074     -0.134754      0.407633
  O      -5.186721      0.497350      0.297870
  C      -3.533122     -0.635199      1.657338
  C      -4.359827     -0.463390      2.854194
  O      -5.502720      0.044728      2.777630
  C      -3.788072     -0.723969      4.242544
  C      -2.290893     -1.298839      1.681419
  C      -1.514920     -1.459908      0.539926
  O      -0.311250     -2.118585      0.603341
  C     -10.024977      9.091081      5.411380
  C      -9.801853      7.795084      4.678744
  O     -10.737204      7.336587      3.957587
  C      -8.548624      7.078360      4.809585
  C      -7.511328      7.517119      5.668692
  C      -6.344493      6.798258      5.838745
  O      -5.363565      7.214560      6.704879
  C      -6.147759      5.565275      5.138325
  C      -5.021181      4.708519      5.338193
  O      -5.017605      3.535072      4.768952
  C      -3.799525      5.018185      6.156955
  C      -7.170954      5.142119      4.251573
  C      -8.346128      5.858839      4.083650
  O      -9.296429      5.387021      3.253878
  C     -12.474952      5.872386      6.732887
  C     -11.191630      6.247853      7.440255
  O     -11.130734      7.330344      8.030283
  C     -10.012640      5.330578      7.440306
  C      -8.955802      5.698951      8.289530
  C      -7.787950      4.953880      8.395770
  O      -6.805286      5.391608      9.211395
  C      -7.644700      3.762610      7.616287
  C      -6.387169      3.021653      7.660122
  O      -5.459360      3.375623      8.431259
  C      -6.180759      1.809494      6.741699
  C      -8.703895      3.394225      6.766486
  C      -9.866126      4.149835      6.659395
  O     -10.787216      3.675312      5.763154
  H       0.828078     -1.186802     -1.416886
  H       0.474862     -1.604024     -3.134523
  H       0.066232     -2.725302     -1.785416
  H      -3.561928      0.100502     -1.685521
  H      -5.588837      0.459756      1.225831
  H      -4.640322     -0.719404      4.944173
  H      -3.276450     -1.700056      4.312674
  H      -1.923248     -1.711060      2.622890
  H      -0.168625     -2.402313      1.524268
  H     -10.164738      8.896452      6.487196
  H      -9.173704      9.777466      5.301055
  H     -10.932627      9.566247      5.022940
  H      -7.647803      8.433036      6.247580
  H      -5.711654      7.962257      7.223575
  H      -3.292918      5.925256      5.771280
  H      -4.095799      5.263114      7.193769
  H      -7.041507      4.209247      3.704766
  H     -10.064892      6.050967      3.355602
  H     -12.367781      6.055108      5.646935
  H     -12.762359      4.823847      6.895293
  H     -13.272522      6.534017      7.090029
  H      -9.064734      6.612091      8.874829
  H      -6.076259      4.694834      9.118842
  H      -6.611177      2.044664      5.759208
  H      -6.784129      0.974218      7.154871
  H      -8.625761      2.515081      6.128031
  H     -11.384668      4.389076      5.479703
  N      -2.483282      2.817722      3.561677
  H      -2.189043      3.780520      3.388758
  H      -2.380097      2.267379      2.708264
95
Coordinates from ORCA-job orca E -6661.158533798000
  N      -2.909040      0.368508      4.517514
  Mo     -3.523556      2.207874      5.221730
  N      -4.800222      1.421086      6.594005
  C      -4.240531      0.721600      7.745510
  C      -2.802395      0.321303      7.457211
  N      -2.103742      1.417349      6.719618
  C      -0.962919      0.872794      5.930779
  C      -1.496520      0.096944      4.691145
  C      -1.685655      2.523821      7.634829
  C      -1.724663      3.846316      6.870888
  N      -2.955193      3.848498      6.107998
  H      -0.905582      0.420980      3.813167
  H      -1.322688     -0.986783      4.812242
  H      -0.344617      1.721881      5.615151
  H      -0.352258      0.224477      6.582033
  H      -1.686311      4.685258      7.585333
  H      -0.846007      3.945045      6.204536
  H      -2.426088      2.569418      8.444203
  H      -0.696227      2.305045      8.068253
  H      -4.820110     -0.192897      7.984717
  H      -4.291799      1.363920      8.643319
  H      -2.774645     -0.565106      6.813660
  H      -2.253388      0.091053      8.386066
  C       0.155760     -1.699045     -2.090514
  C      -1.175663     -0.995102     -2.009468
  O      -1.660442     -0.480026     -3.015637
  C      -1.921670     -0.911467     -0.705018
  C      -3.135353     -0.213041     -0.733784
  C      -3.938056     -0.051195      0.396116
  O      -5.093706      0.630045      0.285786
  C      -3.507024     -0.599223      1.640735
  C      -4.345582     -0.420089      2.828724
  O      -5.463176      0.141008      2.745795
  C      -3.806128     -0.727743      4.218958
  C      -2.291964     -1.311229      1.665186
  C      -1.505544     -1.477113      0.530999
  O      -0.330799     -2.185938      0.596189
  C     -10.044674      9.087718      5.362336
  C      -9.831534      7.775218      4.655567
  O     -10.774970      7.300356      3.956765
  C      -8.577300      7.059761      4.792199
  C      -7.530284      7.516800      5.629766
  C      -6.363074      6.799514      5.805993
  O      -5.369613      7.236343      6.647483
  C      -6.175735      5.549149      5.134098
  C      -5.048416      4.695846      5.340597
  O      -5.049558      3.512191      4.790495
  C      -3.819722      5.015094      6.147570
  C      -7.208624      5.106973      4.267604
  C      -8.383509      5.822686      4.093807
  O      -9.340990      5.333248      3.281687
  C     -12.451488      5.914221      6.777864
  C     -11.158897      6.279517      7.473984
  O     -11.079587      7.366112      8.054043
  C      -9.992306      5.345888      7.474243
  C      -8.921284      5.713572      8.306415
  C      -7.761023      4.956871      8.408879
  O      -6.762136      5.393216      9.206955
  C      -7.638676      3.756174      7.642431
  C      -6.383827      3.010969      7.680871
  O      -5.450505      3.370826      8.441885
  C      -6.186470      1.791708      6.767211
  C      -8.711175      3.386832      6.810350
  C      -9.868213      4.151977      6.708343
  O     -10.807307      3.670733      5.834692
  H       0.874938     -1.257499     -1.385706
  H       0.530654     -1.621987     -3.117154
  H       0.053695     -2.754747     -1.800502
  H      -3.456665      0.215455     -1.683928
  H      -5.511208      0.583525      1.206817
  H      -4.667855     -0.736362      4.908753
  H      -3.296893     -1.705875      4.272650
  H      -1.953352     -1.758617      2.601794
  H      -0.214221     -2.499173      1.511343
  H     -10.167586      8.915369      6.444315
  H      -9.195749      9.771823      5.222536
  H     -10.958994      9.553368      4.977573
  H      -7.658367      8.448089      6.186181
  H      -5.708962      7.997922      7.151864
  H      -3.319661      5.921848      5.753832
  H      -4.108036      5.262895      7.186137
  H      -7.087046      4.161488      3.740595
  H     -10.104055      6.004728      3.367075
  H     -12.344558      6.080391      5.689043
  H     -12.753897      4.872636      6.958014
  H     -13.237495      6.592951      7.128871
  H      -9.011618      6.636390      8.879862
  H      -6.040551      4.691015      9.109144
  H      -6.625309      2.022539      5.787587
  H      -6.786648      0.959305      7.190445
  H      -8.649553      2.498767      6.182177
  H     -11.401502      4.385360      5.546352
  N      -2.533560      2.782065      3.542432
  H      -2.305257      3.752859      3.319928
  H      -2.416180      2.201343      2.711545
95
Coordinates from ORCA-job orca E -6661.159726442190
  N      -2.926579      0.353962      4.530276
  Mo     -3.552078      2.195414      5.225578
  N      -4.806558      1.397383      6.609590
  C      -4.235419      0.701263      7.757800
  C      -2.797429      0.310975      7.457036
  N      -2.114845      1.413869      6.714522
  C      -0.975543      0.877186      5.918523
  C      -1.515706      0.078544      4.698028
  C      -1.699082      2.524858      7.625122
  C      -1.748851      3.845576      6.858991
  N      -2.981184      3.841360      6.097186
  H      -0.925124      0.379159      3.810613
  H      -1.347297     -1.003928      4.839853
  H      -0.372976      1.730829      5.585587
  H      -0.348803      0.242769      6.568003
  H      -1.715537      4.686041      7.571735
  H      -0.872841      3.949177      6.190258
  H      -2.434630      2.566766      8.439175
  H      -0.705166      2.314713      8.052569
  H      -4.807967     -0.215222      8.005136
  H      -4.282153      1.346408      8.653714
  H      -2.773197     -0.571707      6.808519
  H      -2.236926      0.080530      8.378745
  C       0.189545     -1.721090     -2.073683
  C      -1.112527     -0.963705     -1.997077
  O      -1.556683     -0.402188     -2.997095
  C      -1.876291     -0.881520     -0.703411
  C      -3.058931     -0.131390     -0.731866
  C      -3.872172      0.036963      0.389155
  O      -4.992364      0.774940      0.278072
  C      -3.485633     -0.561945      1.626820
  C      -4.333047     -0.379319      2.808925
  O      -5.427893      0.226676      2.728491
  C      -3.821826     -0.733246      4.197457
  C      -2.301089     -1.323563      1.649553
  C      -1.504297     -1.494550      0.523274
  O      -0.361478     -2.253994      0.586812
  C     -10.057537      9.095899      5.307373
  C      -9.855440      7.767388      4.626936
  O     -10.802996      7.282551      3.941577
  C      -8.604438      7.048277      4.773710
  C      -7.547469      7.518603      5.590881
  C      -6.383410      6.798242      5.773257
  O      -5.376276      7.248479      6.590796
  C      -6.209199      5.531379      5.129196
  C      -5.082710      4.680832      5.342421
  O      -5.088407      3.486604      4.812716
  C      -3.846944      5.008401      6.136426
  C      -7.252985      5.074170      4.283071
  C      -8.424507      5.793786      4.103740
  O      -9.393528      5.291469      3.312503
  C     -12.417527      5.947326      6.805940
  C     -11.118850      6.303099      7.495803
  O     -11.021756      7.397054      8.058635
  C      -9.965426      5.353185      7.506238
  C      -8.883595      5.723874      8.323108
  C      -7.730819      4.956758      8.430179
  O      -6.722485      5.395845      9.215311
  C      -7.624942      3.743910      7.680457
  C      -6.373484      2.993354      7.710834
  O      -5.429336      3.353809      8.457802
  C      -6.191372      1.768945      6.799917
  C      -8.709220      3.370143      6.865754
  C      -9.860940      4.143062      6.762685
  O     -10.814792      3.650812      5.911347
  H       0.913779     -1.327849     -1.345778
  H       0.585876     -1.634267     -3.091419
  H       0.037330     -2.778636     -1.813546
  H      -3.345620      0.335498     -1.674894
  H      -5.423342      0.729114      1.194363
  H      -4.692545     -0.757454      4.875470
  H      -3.312497     -1.711778      4.233526
  H      -1.994980     -1.808662      2.578811
  H      -0.273993     -2.598456      1.493938
  H     -10.171551      8.945718      6.393675
  H      -9.207357      9.773083      5.144791
  H     -10.973725      9.556594      4.920988
  H      -7.664215      8.464378      6.124824
  H      -5.702352      8.026582      7.078440
  H      -3.350685      5.912216      5.732543
  H      -4.126236      5.261012      7.176489
  H      -7.142892      4.116449      3.776201
  H     -10.149162      5.972001      3.386764
  H     -12.305674      6.089417      5.714167
  H     -12.738361      4.915565      7.009241
  H     -13.191880      6.646714      7.141826
  H      -8.958218      6.658012      8.880144
  H      -6.007878      4.685589      9.121591
  H      -6.643016      1.997407      5.825832
  H      -6.785752      0.938860      7.235208
  H      -8.661922      2.471249      6.251900
  H     -11.406856      4.363965      5.615255
  N      -2.601638      2.750217      3.516827
  H      -2.440040      3.723202      3.248156
  H      -2.473512      2.144620      2.705747
95
Coordinates from ORCA-job orca E -6661.160777218442
  N      -2.952391      0.315457      4.556518
  Mo     -3.588102      2.162405      5.229566
  N      -4.817736      1.363588      6.630292
  C      -4.233276      0.675921      7.777957
  C      -2.795728      0.293141      7.466205
  N      -2.129575      1.397764      6.711160
  C      -0.994142      0.865483      5.907116
  C      -1.543461      0.035994      4.714414
  C      -1.712462      2.516320      7.610872
  C      -1.770502      3.829928      6.834876
  N      -3.005849      3.816319      6.077780
  H      -0.956555      0.305781      3.813900
  H      -1.381648     -1.043955      4.884987
  H      -0.411472      1.722655      5.549244
  H      -0.347482      0.251319      6.556461
  H      -1.739576      4.676528      7.540273
  H      -0.897565      3.931914      6.162084
  H      -2.442201      2.560337      8.429954
  H      -0.714108      2.313547      8.031695
  H      -4.799931     -0.240664      8.036706
  H      -4.275027      1.328980      8.668175
  H      -2.774402     -0.590079      6.818922
  H      -2.222767      0.069490      8.381680
  C       0.229582     -1.648127     -2.052340
  C      -1.060440     -0.871719     -1.968512
  O      -1.481641     -0.271459     -2.955623
  C      -1.841572     -0.817348     -0.683264
  C      -3.011082     -0.046787     -0.705438
  C      -3.837170      0.101981      0.408602
  O      -4.945425      0.859144      0.305872
  C      -3.477399     -0.539552      1.632717
  C      -4.335282     -0.368519      2.808127
  O      -5.407318      0.278907      2.731347
  C      -3.848424     -0.761135      4.194083
  C      -2.306222     -1.321359      1.649267
  C      -1.497072     -1.473246      0.529018
  O      -0.367317     -2.252691      0.584901
  C     -10.052871      9.101371      5.237531
  C      -9.871105      7.753659      4.590036
  O     -10.831759      7.258912      3.930623
  C      -8.625257      7.027241      4.743290
  C      -7.554154      7.513402      5.532345
  C      -6.394176      6.789257      5.720794
  O      -5.370622      7.254650      6.508466
  C      -6.237273      5.502341      5.112245
  C      -5.113292      4.653355      5.334104
  O      -5.128628      3.446134      4.831286
  C      -3.867947      4.987134      6.110362
  C      -7.295832      5.027281      4.294150
  C      -8.463632      5.751370      4.108788
  O      -9.446372      5.233283      3.344661
  C     -12.373428      5.992476      6.826862
  C     -11.065782      6.339765      7.503887
  O     -10.948049      7.442357      8.045270
  C      -9.928342      5.371083      7.528899
  C      -8.832503      5.745991      8.324970
  C      -7.689516      4.965351      8.438688
  O      -6.667215      5.407068      9.204290
  C      -7.606424      3.736033      7.713735
  C      -6.361591      2.976370      7.739161
  O      -5.404903      3.339230      8.468793
  C      -6.199088      1.741081      6.839462
  C      -8.705986      3.356612      6.922042
  C      -9.849603      4.140616      6.816226
  O     -10.822705      3.635925      5.994194
  H       0.950253     -1.290931     -1.302875
  H       0.640879     -1.534890     -3.061497
  H       0.056502     -2.710870     -1.829433
  H      -3.276674      0.452315     -1.638013
  H      -5.390882      0.785760      1.214201
  H      -4.727077     -0.796429      4.861214
  H      -3.339937     -1.740048      4.217388
  H      -2.018892     -1.836813      2.568407
  H      -0.300972     -2.628911      1.481102
  H     -10.148854      8.980396      6.329113
  H      -9.201123      9.767376      5.041782
  H     -10.972708      9.557786      4.854782
  H      -7.656446      8.475711      6.038706
  H      -5.679637      8.054159      6.971915
  H      -3.369894      5.881534      5.689153
  H      -4.134586      5.253268      7.150408
  H      -7.200234      4.054700      3.813718
  H     -10.193311      5.926251      3.402439
  H     -12.261931      6.102371      5.731379
  H     -12.714300      4.973765      7.061235
  H     -13.132978      6.715723      7.145228
  H      -8.887021      6.694578      8.859195
  H      -5.961868      4.686153      9.114026
  H      -6.665595      1.960954      5.870698
  H      -6.786888      0.916837      7.293865
  H      -8.678187      2.442782      6.329705
  H     -11.412911      4.347389      5.690563
  N      -2.686076      2.693468      3.484516
  H      -2.588038      3.661771      3.170564
  H      -2.549707      2.063842      2.693436
95
Coordinates from ORCA-job orca E -6661.161711253863
  N      -2.957740      0.299711      4.587480
  Mo     -3.608952      2.148422      5.239855
  N      -4.821297      1.345423      6.647276
  C      -4.227353      0.663151      7.794724
  C      -2.787974      0.289886      7.479565
  N      -2.134230      1.397669      6.718108
  C      -0.999623      0.874586      5.907526
  C      -1.551394      0.017296      4.739648
  C      -1.718970      2.519706      7.612611
  C      -1.780249      3.827596      6.830138
  N      -3.015145      3.806272      6.073867
  H      -0.965862      0.258819      3.829464
  H      -1.395627     -1.059608      4.937639
  H      -0.439740      1.737756      5.528749
  H      -0.332518      0.282418      6.556638
  H      -1.754353      4.678426      7.530503
  H      -0.906872      3.929407      6.157894
  H      -2.447124      2.563949      8.432898
  H      -0.718766      2.320566      8.031048
  H      -4.788738     -0.255414      8.056506
  H      -4.270985      1.320554      8.681289
  H      -2.763129     -0.593221      6.832961
  H      -2.208124      0.072999      8.392113
  C       0.224721     -1.660446     -2.062886
  C      -1.038722     -0.844039     -1.965479
  O      -1.437414     -0.210187     -2.940495
  C      -1.823308     -0.790559     -0.681181
  C      -2.966996      0.017290     -0.693194
  C      -3.791840      0.172394      0.420986
  O      -4.871040      0.971826      0.333164
  C      -3.457683     -0.505647      1.632356
  C      -4.316809     -0.332357      2.805215
  O      -5.378675      0.334116      2.731711
  C      -3.853150     -0.764008      4.187013
  C      -2.311504     -1.323795      1.639453
  C      -1.503623     -1.479828      0.519197
  O      -0.398775     -2.295021      0.563056
  C     -10.039166      9.114826      5.215469
  C      -9.868672      7.759521      4.581904
  O     -10.835977      7.264243      3.931983
  C      -8.627944      7.026849      4.737741
  C      -7.546508      7.521864      5.507340
  C      -6.389275      6.795020      5.695803
  O      -5.353534      7.268466      6.462042
  C      -6.244822      5.495923      5.108974
  C      -5.123577      4.647370      5.335986
  O      -5.148458      3.430578      4.853370
  C      -3.871913      4.981062      6.099925
  C      -7.314705      5.010751      4.311329
  C      -8.479946      5.738587      4.124638
  O      -9.474372      5.212462      3.381449
  C     -12.368156      5.978527      6.821904
  C     -11.057752      6.334617      7.488349
  O     -10.937052      7.444820      8.013132
  C      -9.922018      5.364452      7.525717
  C      -8.820994      5.750785      8.308964
  C      -7.679778      4.968449      8.431455
  O      -6.653422      5.416036      9.188002
  C      -7.602381      3.728576      7.725011
  C      -6.358408      2.970063      7.753263
  O      -5.398302      3.342109      8.473718
  C      -6.200697      1.725097      6.867507
  C      -8.707640      3.337536      6.946507
  C      -9.850416      4.121234      6.835668
  O     -10.832020      3.601492      6.033189
  H       0.954656     -1.344056     -1.304510
  H       0.641917     -1.538633     -3.068541
  H       0.016865     -2.721412     -1.863629
  H      -3.211196      0.543314     -1.616606
  H      -5.311131      0.907385      1.245848
  H      -4.740587     -0.811748      4.841455
  H      -3.345470     -1.743133      4.197468
  H      -2.044207     -1.865907      2.549223
  H      -0.351435     -2.693623      1.450696
  H     -10.124519      9.006562      6.309009
  H      -9.186620      9.774801      5.004233
  H     -10.960750      9.570533      4.836480
  H      -7.638670      8.493540      5.996843
  H      -5.648967      8.083598      6.906524
  H      -3.367478      5.865761      5.666524
  H      -4.129173      5.258537      7.139316
  H      -7.229739      4.029107      3.848262
  H     -10.215892      5.913734      3.432584
  H     -12.259232      6.058863      5.723831
  H     -12.714533      4.968626      7.084787
  H     -13.123446      6.713344      7.122891
  H      -8.870565      6.708262      8.827152
  H      -5.949584      4.692121      9.101253
  H      -6.677130      1.933020      5.901174
  H      -6.780435      0.903595      7.336750
  H      -8.686017      2.412892      6.371506
  H     -11.426407      4.307823      5.725637
  N      -2.754797      2.665544      3.464410
  H      -2.718633      3.626273      3.115175
  H      -2.609223      2.019463      2.688179
95
Coordinates from ORCA-job orca E -6661.162537652120
  N      -2.979855      0.271303      4.603419
  Mo     -3.640017      2.123799      5.235008
  N      -4.832738      1.326714      6.657405
  C      -4.223619      0.652336      7.802991
  C      -2.784402      0.283583      7.479519
  N      -2.142487      1.389373      6.704517
  C      -1.014339      0.871422      5.881979
  C      -1.575045     -0.015305      4.744357
  C      -1.721137      2.516118      7.588565
  C      -1.786777      3.815610      6.795302
  N      -3.025831      3.786086      6.047491
  H      -0.995685      0.194607      3.821719
  H      -1.424348     -1.087770      4.972217
  H      -0.479694      1.738459      5.476270
  H      -0.322564      0.304176      6.527750
  H      -1.759553      4.672813      7.487910
  H      -0.916371      3.913664      6.118465
  H      -2.443754      2.566362      8.413307
  H      -0.717999      2.318486      8.001152
  H      -4.780051     -0.266768      8.072909
  H      -4.263756      1.315979      8.684950
  H      -2.759851     -0.603812      6.839142
  H      -2.195863      0.076884      8.388827
  C       0.274603     -1.626451     -2.022186
  C      -0.985693     -0.804579     -1.935809
  O      -1.365646     -0.157380     -2.909492
  C      -1.790251     -0.760886     -0.662552
  C      -2.930552      0.050843     -0.684169
  C      -3.772668      0.196913      0.418844
  O      -4.850115      0.996540      0.320022
  C      -3.456737     -0.494363      1.628738
  C      -4.324790     -0.327645      2.795104
  O      -5.376387      0.357106      2.726359
  C      -3.876865     -0.781186      4.173899
  C      -2.313361     -1.317187      1.644761
  C      -1.490421     -1.464327      0.534561
  O      -0.388297     -2.282889      0.585031
  C     -10.029596      9.127576      5.212271
  C      -9.868379      7.767429      4.587316
  O     -10.841569      7.273724      3.943585
  C      -8.632066      7.028836      4.740064
  C      -7.538470      7.525845      5.492198
  C      -6.383807      6.793610      5.673248
  O      -5.334159      7.268862      6.419404
  C      -6.255222      5.486076      5.100177
  C      -5.136930      4.634494      5.325139
  O      -5.176907      3.408842      4.863355
  C      -3.874484      4.966805      6.068304
  C      -7.338584      4.998680      4.321752
  C      -8.499954      5.733716      4.139081
  O      -9.507861      5.209725      3.413108
  C     -12.355111      5.981400      6.827313
  C     -11.045466      6.341168      7.492814
  O     -10.924139      7.455333      8.009362
  C      -9.909616      5.371105      7.535476
  C      -8.804101      5.764730      8.308336
  C      -7.663852      4.981057      8.435819
  O      -6.636456      5.432755      9.187551
  C      -7.591560      3.733354      7.741333
  C      -6.350314      2.970139      7.768800
  O      -5.381622      3.344702      8.476821
  C      -6.206744      1.715546      6.896112
  C      -8.701854      3.335858      6.972803
  C      -9.843795      4.120040      6.859781
  O     -10.832637      3.591340      6.072032
  H       0.994359     -1.323001     -1.248868
  H       0.707850     -1.495634     -3.019908
  H       0.058850     -2.688538     -1.837549
  H      -3.158997      0.585793     -1.606514
  H      -5.309713      0.919334      1.223319
  H      -4.769781     -0.836017      4.820245
  H      -3.370059     -1.760592      4.177808
  H      -2.059853     -1.867399      2.553617
  H      -0.358148     -2.694443      1.467532
  H     -10.103279      9.027963      6.307335
  H      -9.177670      9.784405      4.988031
  H     -10.953821      9.582704      4.839239
  H      -7.618752      8.503536      5.971568
  H      -5.614671      8.096738      6.849723
  H      -3.365050      5.840205      5.617755
  H      -4.115827      5.260032      7.107361
  H      -7.265824      4.010985      3.869653
  H     -10.240463      5.921606      3.462161
  H     -12.243828      6.041038      5.728264
  H     -12.708326      4.978363      7.107702
  H     -13.107595      6.725107      7.113176
  H      -8.850572      6.727771      8.816509
  H      -5.933302      4.706624      9.106021
  H      -6.698085      1.913037      5.934949
  H      -6.780149      0.900019      7.383345
  H      -8.685697      2.403627      6.409889
  H     -11.431878      4.294301      5.765796
  N      -2.850289      2.623004      3.425407
  H      -2.879134      3.571803      3.044094
  H      -2.702011      1.961865      2.662381
95
Coordinates from ORCA-job orca E -6661.163314470099
  N      -2.981657      0.260611      4.620326
  Mo     -3.661587      2.109647      5.238685
  N      -4.844827      1.310869      6.663077
  C      -4.225816      0.640944      7.807157
  C      -2.782787      0.282213      7.485116
  N      -2.149085      1.390823      6.706781
  C      -1.019958      0.886873      5.877233
  C      -1.576985     -0.023369      4.759952
  C      -1.731698      2.518498      7.589882
  C      -1.800653      3.813415      6.791497
  N      -3.038920      3.773937      6.043784
  H      -0.998859      0.163855      3.831345
  H      -1.425917     -1.090924      5.012437
  H      -0.511721      1.761469      5.453589
  H      -0.305291      0.344832      6.519860
  H      -1.779477      4.673618      7.480652
  H      -0.929176      3.914767      6.116456
  H      -2.455806      2.569651      8.413175
  H      -0.728905      2.322963      8.004505
  H      -4.775444     -0.282469      8.076339
  H      -4.271339      1.305057      8.688456
  H      -2.749482     -0.608725      6.850294
  H      -2.194492      0.085258      8.396701
  C       0.303007     -1.613169     -2.024652
  C      -0.962031     -0.798514     -1.941151
  O      -1.343692     -0.153323     -2.915504
  C      -1.769453     -0.759287     -0.669175
  C      -2.914877      0.044861     -0.693717
  C      -3.759754      0.185570      0.408181
  O      -4.841768      0.978390      0.309753
  C      -3.440576     -0.502359      1.618593
  C      -4.312676     -0.339809      2.781054
  O      -5.368123      0.338783      2.708181
  C      -3.870568     -0.789968      4.161958
  C      -2.291805     -1.318770      1.637945
  C      -1.466632     -1.460647      0.528772
  O      -0.359408     -2.271861      0.581263
  C     -10.021093      9.141785      5.216207
  C      -9.869310      7.779924      4.593083
  O     -10.850110      7.292119      3.954668
  C      -8.637402      7.033995      4.742587
  C      -7.536788      7.530073      5.486507
  C      -6.383970      6.794002      5.663826
  O      -5.326620      7.270178      6.398937
  C      -6.265513      5.481569      5.099771
  C      -5.150181      4.626567      5.326060
  O      -5.198206      3.396602      4.876255
  C      -3.883126      4.958118      6.058034
  C      -7.355373      4.995379      4.329836
  C      -8.513511      5.735410      4.146374
  O      -9.525503      5.213519      3.425581
  C     -12.338814      6.005180      6.823810
  C     -11.031129      6.353536      7.498982
  O     -10.905002      7.466014      8.018357
  C      -9.901182      5.376686      7.544535
  C      -8.792235      5.768265      8.313267
  C      -7.655503      4.979704      8.442028
  O      -6.624391      5.429587      9.188812
  C      -7.590347      3.729104      7.751998
  C      -6.352538      2.959712      7.780571
  O      -5.379980      3.332942      8.484277
  C      -6.215913      1.702478      6.912410
  C      -8.704297      3.333255      6.987820
  C      -9.843150      4.121894      6.874451
  O     -10.836062      3.594079      6.091593
  H       1.019893     -1.305320     -1.250350
  H       0.737060     -1.480959     -3.021831
  H       0.093487     -2.676302     -1.838653
  H      -3.144637      0.578061     -1.616788
  H      -5.299907      0.901532      1.213467
  H      -4.768344     -0.854468      4.800465
  H      -3.357432     -1.765957      4.168571
  H      -2.037661     -1.867297      2.547167
  H      -0.330364     -2.685846      1.462703
  H     -10.083468      9.045704      6.312272
  H      -9.169809      9.796515      4.982563
  H     -10.947500      9.598626      4.851006
  H      -7.610049      8.510900      5.960638
  H      -5.597537      8.107460      6.816936
  H      -3.370192      5.824648      5.597467
  H      -4.116215      5.262996      7.095835
  H      -7.288830      4.004296      3.884122
  H     -10.253406      5.931727      3.469397
  H     -12.218276      6.052178      5.725202
  H     -12.708688      5.009887      7.110801
  H     -13.083844      6.761463      7.096041
  H      -8.833489      6.734169      8.816606
  H      -5.922747      4.702847      9.105564
  H      -6.716496      1.893821      5.954685
  H      -6.784639      0.889167      7.408861
  H      -8.694069      2.398011      6.429818
  H     -11.436843      4.297288      5.789190
  N      -2.934013      2.608917      3.405681
  H      -3.035398      3.544291      3.003778
  H      -2.770991      1.941863      2.651030
95
Coordinates from ORCA-job orca E -6661.164159610204
  N      -2.983833      0.252815      4.626287
  Mo     -3.681361      2.097208      5.240162
  N      -4.864333      1.296635      6.662701
  C      -4.237464      0.628475      7.804088
  C      -2.791250      0.277254      7.486611
  N      -2.159314      1.388287      6.709760
  C      -1.028718      0.897938      5.874418
  C      -1.579020     -0.029817      4.771878
  C      -1.746273      2.514803      7.595288
  C      -1.815330      3.807632      6.794597
  N      -3.050931      3.761089      6.042950
  H      -0.997597      0.137576      3.841673
  H      -1.428625     -1.092863      5.045834
  H      -0.544336      1.779832      5.437054
  H      -0.293331      0.379446      6.513234
  H      -1.801022      4.668618      7.483142
  H      -0.940912      3.914857      6.124270
  H      -2.474809      2.567530      8.414630
  H      -0.746193      2.318403      8.016163
  H      -4.780828     -0.299863      8.070195
  H      -4.288584      1.289486      8.687259
  H      -2.747944     -0.617735      6.858177
  H      -2.209098      0.087769      8.403868
  C       0.358560     -1.588301     -2.025103
  C      -0.928787     -0.807723     -1.955160
  O      -1.326853     -0.188440     -2.939853
  C      -1.739747     -0.772253     -0.685316
  C      -2.907456     -0.001418     -0.724898
  C      -3.758548      0.131404      0.373460
  O      -4.862969      0.889933      0.261827
  C      -3.422596     -0.527101      1.595148
  C      -4.301494     -0.369539      2.752216
  O      -5.376184      0.275398      2.666160
  C      -3.859975     -0.799275      4.138865
  C      -2.251110     -1.311627      1.630047
  C      -1.419964     -1.446747      0.524413
  O      -0.290806     -2.225602      0.592556
  C     -10.019243      9.155333      5.223098
  C      -9.869109      7.792767      4.601001
  O     -10.851761      7.308141      3.960964
  C      -8.640729      7.042610      4.750260
  C      -7.533974      7.536733      5.487758
  C      -6.382165      6.797111      5.660571
  O      -5.317914      7.275366      6.385422
  C      -6.273461      5.480955      5.103196
  C      -5.162089      4.619731      5.329384
  O      -5.219955      3.388195      4.886796
  C      -3.890478      4.949127      6.051071
  C      -7.369597      4.997599      4.340713
  C      -8.524744      5.742066      4.157436
  O      -9.541953      5.224458      3.441790
  C     -12.327070      6.043957      6.847252
  C     -11.014857      6.381360      7.519089
  O     -10.882571      7.488669      8.048453
  C      -9.891292      5.396565      7.558760
  C      -8.775096      5.782127      8.320036
  C      -7.643478      4.985759      8.444577
  O      -6.606294      5.428552      9.186458
  C      -7.590841      3.733764      7.756202
  C      -6.357221      2.955600      7.782331
  O      -5.378690      3.327417      8.478586
  C      -6.231437      1.693499      6.920703
  C      -8.711693      3.343446      6.999625
  C      -9.846699      4.139018      6.891751
  O     -10.848355      3.615212      6.118123
  H       1.065929     -1.248762     -1.255106
  H       0.790097     -1.460451     -3.023986
  H       0.178751     -2.653658     -1.821059
  H      -3.149721      0.510751     -1.656781
  H      -5.321938      0.813752      1.164299
  H      -4.762041     -0.875041      4.770029
  H      -3.336550     -1.769921      4.153359
  H      -1.986146     -1.839247      2.548225
  H      -0.253682     -2.627142      1.479516
  H     -10.074475      9.062776      6.320006
  H      -9.170364      9.811985      4.984365
  H     -10.947758      9.610773      4.861669
  H      -7.600620      8.520219      5.957741
  H      -5.581930      8.120016      6.792997
  H      -3.375926      5.811192      5.582890
  H      -4.115562      5.265246      7.087595
  H      -7.308581      4.003249      3.900885
  H     -10.265897      5.946748      3.486041
  H     -12.208581      6.078291      5.747891
  H     -12.710582      5.056239      7.143500
  H     -13.061659      6.812583      7.113566
  H      -8.808218      6.749416      8.821593
  H      -5.910721      4.697548      9.104121
  H      -6.740876      1.877708      5.966195
  H      -6.798896      0.885115      7.427095
  H      -8.711097      2.406459      6.444294
  H     -11.452152      4.319478      5.824248
  N      -3.029853      2.593292      3.386422
  H      -3.202495      3.513572      2.973958
  H      -2.856535      1.924203      2.636102
95
Coordinates from ORCA-job orca E -6661.165061338063
  N      -2.992637      0.245230      4.617761
  Mo     -3.704883      2.085961      5.229918
  N      -4.891470      1.286525      6.652048
  C      -4.257955      0.619034      7.790086
  C      -2.809631      0.273091      7.477484
  N      -2.176238      1.385261      6.703667
  C      -1.044570      0.904473      5.865524
  C      -1.587703     -0.036798      4.774789
  C      -1.767296      2.511623      7.590401
  C      -1.834947      3.802589      6.786616
  N      -3.067249      3.749753      6.028534
  H      -0.999549      0.113275      3.846134
  H      -1.439356     -1.095800      5.067502
  H      -0.578684      1.791283      5.416857
  H      -0.292807      0.405707      6.500934
  H      -1.828097      4.664324      7.474473
  H      -0.957203      3.915948      6.121895
  H      -2.501513      2.568287      8.404592
  H      -0.771013      2.314351      8.019746
  H      -4.795314     -0.313692      8.054656
  H      -4.312380      1.275924      8.675911
  H      -2.757676     -0.626085      6.855732
  H      -2.236358      0.089007      8.401715
  C       0.449382     -1.563564     -2.005752
  C      -0.864289     -0.825696     -1.961519
  O      -1.272983     -0.236777     -2.960533
  C      -1.687233     -0.795104     -0.699956
  C      -2.880070     -0.065054     -0.763068
  C      -3.744294      0.057740      0.326135
  O      -4.871978      0.776737      0.192686
  C      -3.397728     -0.566150      1.562725
  C      -4.292149     -0.417229      2.708868
  O      -5.389134      0.182428      2.599427
  C      -3.851925     -0.811725      4.106118
  C      -2.200561     -1.310631      1.621145
  C      -1.355775     -1.436963      0.524742
  O      -0.202399     -2.176524      0.616540
  C     -10.019482      9.169173      5.250045
  C      -9.878261      7.808646      4.621190
  O     -10.869252      7.330706      3.987363
  C      -8.652182      7.053226      4.759649
  C      -7.536728      7.543749      5.487070
  C      -6.385300      6.800680      5.651470
  O      -5.313141      7.279757      6.365158
  C      -6.287448      5.482415      5.098375
  C      -5.180333      4.613420      5.320942
  O      -5.249837      3.381262      4.885608
  C      -3.902295      4.941884      6.030091
  C      -7.391795      5.002880      4.345675
  C      -8.545086      5.750995      4.167121
  O      -9.567610      5.235805      3.458049
  C     -12.313164      6.094600      6.894702
  C     -10.998639      6.416393      7.570025
  O     -10.857148      7.519751      8.105779
  C      -9.880650      5.424755      7.595239
  C      -8.754245      5.800995      8.346707
  C      -7.626279      4.997818      8.457368
  O      -6.578610      5.434535      9.188041
  C      -7.588746      3.747050      7.765402
  C      -6.360563      2.957926      7.781275
  O      -5.376332      3.316017      8.476558
  C      -6.252941      1.692851      6.920657
  C      -8.719008      3.366083      7.018825
  C      -9.850826      4.168565      6.924045
  O     -10.863078      3.652648      6.160155
  H       1.137371     -1.186251     -1.235442
  H       0.886673     -1.440138     -3.002647
  H       0.303296     -2.630356     -1.782362
  H      -3.131001      0.422421     -1.705896
  H      -5.336597      0.702556      1.091264
  H      -4.759758     -0.897148      4.727844
  H      -3.316937     -1.776336      4.134214
  H      -1.929762     -1.815532      2.550183
  H      -0.158743     -2.562072      1.510285
  H     -10.058369      9.075456      6.347619
  H      -9.174203      9.827446      5.001701
  H     -10.952411      9.626249      4.902182
  H      -7.595577      8.528828      5.955375
  H      -5.570984      8.129268      6.766671
  H      -3.389585      5.800482      5.552989
  H      -4.117451      5.269927      7.065304
  H      -7.337041      4.005917      3.910404
  H     -10.288975      5.960675      3.503739
  H     -12.191938      6.119396      5.795202
  H     -12.712599      5.114353      7.195648
  H     -13.036867      6.875694      7.154614
  H      -8.777508      6.767485      8.850497
  H      -5.886402      4.703428      9.096082
  H      -6.771490      1.875727      5.970818
  H      -6.822802      0.890827      7.434700
  H      -8.729751      2.430259      6.461286
  H     -11.471229      4.358960      5.880268
  N      -3.152747      2.564700      3.351897
  H      -3.401996      3.465543      2.935541
  H      -2.979859      1.892502      2.604579
95
Coordinates from ORCA-job orca E -6661.166023470348
  N      -3.004140      0.241173      4.600294
  Mo     -3.730100      2.076714      5.214149
  N      -4.917722      1.275868      6.635835
  C      -4.278195      0.605347      7.769390
  C      -2.827916      0.265464      7.459301
  N      -2.194549      1.381217      6.691376
  C      -1.061845      0.910079      5.851215
  C      -1.598782     -0.038286      4.767198
  C      -1.790339      2.506234      7.580806
  C      -1.856598      3.796897      6.776626
  N      -3.086015      3.739269      6.011687
  H      -1.005063      0.102880      3.840914
  H      -1.451803     -1.094990      5.070700
  H      -0.609172      1.801413      5.396887
  H      -0.298489      0.423452      6.482063
  H      -1.858035      4.658261      7.464960
  H      -0.976080      3.917080      6.117283
  H      -2.530238      2.564506      8.389972
  H      -0.797358      2.308595      8.017436
  H      -4.810029     -0.331579      8.031034
  H      -4.334276      1.256366      8.659008
  H      -2.768480     -0.634837      6.839994
  H      -2.262134      0.082830      8.388710
  C       0.553278     -1.526292     -1.975167
  C      -0.793043     -0.848257     -1.962063
  O      -1.217713     -0.304246     -2.979590
  C      -1.630245     -0.823715     -0.709956
  C      -2.854326     -0.150692     -0.803473
  C      -3.734704     -0.039878      0.273821
  O      -4.892053      0.623293      0.109944
  C      -3.374301     -0.614479      1.530569
  C      -4.286408     -0.475208      2.665121
  O      -5.410029      0.062327      2.526013
  C      -3.845492     -0.823749      4.076006
  C      -2.145947     -1.302994      1.618460
  C      -1.284151     -1.418819      0.534228
  O      -0.100219     -2.103359      0.656348
  C     -10.023021      9.189162      5.272266
  C      -9.889751      7.828871      4.640531
  O     -10.884553      7.354862      4.009342
  C      -8.665927      7.069383      4.772688
  C      -7.543944      7.553896      5.493458
  C      -6.394615      6.805643      5.651627
  O      -5.316037      7.281454      6.358381
  C      -6.307023      5.486755      5.099664
  C      -5.204606      4.609462      5.315696
  O      -5.284808      3.378620      4.882872
  C      -3.918026      4.935042      6.012036
  C      -7.418528      5.012515      4.353504
  C      -8.568378      5.766293      4.179480
  O      -9.596983      5.256401      3.474904
  C     -12.290738      6.156265      6.948069
  C     -10.968209      6.461042      7.616737
  O     -10.815239      7.557570      8.163809
  C      -9.860965      5.457812      7.629516
  C      -8.723156      5.820226      8.372085
  C      -7.603367      5.004974      8.470786
  O      -6.544433      5.427315      9.195289
  C      -7.584991      3.755932      7.775746
  C      -6.364321      2.956024      7.780875
  O      -5.367533      3.311510      8.459498
  C      -6.274854      1.688879      6.917715
  C      -8.725795      3.387930      7.039183
  C      -9.850745      4.201800      6.956283
  O     -10.874602      3.696631      6.201848
  H       1.215039     -1.097626     -1.208526
  H       0.995567     -1.409052     -2.970579
  H       0.453035     -2.592518     -1.724819
  H      -3.116928      0.300805     -1.760951
  H      -5.364269      0.549243      1.003950
  H      -4.759591     -0.916834      4.687444
  H      -3.299255     -1.782305      4.120276
  H      -1.865726     -1.775487      2.561693
  H      -0.046836     -2.463221      1.560240
  H     -10.050981      9.095986      6.370351
  H      -9.179573      9.846939      5.015780
  H     -10.958493      9.647848      4.933076
  H      -7.594957      8.539768      5.961479
  H      -5.568026      8.134046      6.757245
  H      -3.408901      5.791209      5.526965
  H      -4.121083      5.270349      7.047352
  H      -7.370667      4.014256      3.920172
  H     -10.314324      5.984555      3.524916
  H     -12.175078      6.174495      5.847636
  H     -12.702853      5.183164      7.255974
  H     -13.001797      6.948566      7.208946
  H      -8.732592      6.785523      8.878707
  H      -5.865160      4.685603      9.102269
  H      -6.804560      1.871628      5.974292
  H      -6.842940      0.891021      7.439715
  H      -8.751311      2.453313      6.479867
  H     -11.483426      4.407443      5.934952
  N      -3.295668      2.534496      3.309830
  H      -3.628266      3.410504      2.898700
  H      -3.122405      1.861735      2.563737
95
Coordinates from ORCA-job orca E -6661.167023583796
  N      -3.018012      0.244713      4.570510
  Mo     -3.752763      2.076534      5.185308
  N      -4.942030      1.275463      6.603852
  C      -4.304758      0.598532      7.735675
  C      -2.852948      0.261370      7.430578
  N      -2.216667      1.379790      6.670466
  C      -1.081850      0.913100      5.834057
  C      -1.613993     -0.035805      4.750884
  C      -1.816834      2.502830      7.562501
  C      -1.874497      3.792772      6.757522
  N      -3.099458      3.735949      5.982168
  H      -1.012342      0.101214      3.829252
  H      -1.473341     -1.092287      5.058661
  H      -0.631327      1.806081      5.380275
  H      -0.316347      0.427781      6.463171
  H      -1.883324      4.654261      7.445323
  H      -0.989561      3.914309      6.105178
  H      -2.563885      2.564043      8.364923
  H      -0.827933      2.303636      8.007510
  H      -4.836377     -0.339619      7.992416
  H      -4.362381      1.244615      8.628332
  H      -2.789038     -0.637403      6.809913
  H      -2.294337      0.075860      8.363859
  C       0.667080     -1.513644     -1.928026
  C      -0.708629     -0.898281     -1.954256
  O      -1.144877     -0.410388     -2.994613
  C      -1.563302     -0.869682     -0.713772
  C      -2.815507     -0.257817     -0.845454
  C      -3.715247     -0.151603      0.215795
  O      -4.900737      0.448612      0.011754
  C      -3.346766     -0.664835      1.497038
  C      -4.280028     -0.527896      2.616732
  O      -5.426621     -0.057669      2.440299
  C      -3.845189     -0.827008      4.044568
  C      -2.090682     -1.292898      1.621828
  C      -1.208564     -1.405658      0.554052
  O       0.003235     -2.030516      0.713983
  C     -10.016543      9.222634      5.332868
  C      -9.895101      7.866511      4.689156
  O     -10.896435      7.396696      4.066702
  C      -8.671667      7.103834      4.803922
  C      -7.538852      7.579598      5.511450
  C      -6.392038      6.824705      5.653989
  O      -5.302261      7.292477      6.348246
  C      -6.318852      5.506964      5.098514
  C      -5.222383      4.619488      5.301251
  O      -5.315957      3.391386      4.868166
  C      -3.925338      4.937088      5.984613
  C      -7.442351      5.040340      4.364131
  C      -8.588711      5.801968      4.205545
  O      -9.629584      5.300371      3.511498
  C     -12.294395      6.179431      7.013357
  C     -10.963116      6.481043      7.667698
  O     -10.804914      7.574402      8.219990
  C      -9.857580      5.477559      7.663451
  C      -8.709895      5.834529      8.395181
  C      -7.590062      5.018171      8.476161
  O      -6.520154      5.438115      9.188249
  C      -7.580852      3.771803      7.775537
  C      -6.364960      2.967769      7.764939
  O      -5.362674      3.306654      8.444162
  C      -6.294369      1.700129      6.896054
  C      -8.731057      3.409515      7.050532
  C      -9.855869      4.224686      6.984359
  O     -10.887877      3.723248      6.239355
  H       1.297949     -1.027287     -1.169975
  H       1.116870     -1.411062     -2.921593
  H       0.611549     -2.573926     -1.641609
  H      -3.085882      0.147537     -1.821093
  H      -5.384755      0.376295      0.899336
  H      -4.769181     -0.920373      4.640994
  H      -3.295000     -1.783025      4.108119
  H      -1.803171     -1.723392      2.582747
  H       0.063298     -2.353859      1.631108
  H     -10.027739      9.121706      6.430514
  H      -9.176440      9.880418      5.066550
  H     -10.956650      9.684755      5.011356
  H      -7.578024      8.564456      5.982518
  H      -5.544608      8.145654      6.751794
  H      -3.417662      5.789229      5.491895
  H      -4.114502      5.275029      7.021272
  H      -7.406576      4.042530      3.929156
  H     -10.340989      6.032533      3.573917
  H     -12.190260      6.193244      5.911773
  H     -12.705849      5.209411      7.331800
  H     -13.000227      6.974522      7.279311
  H      -8.712121      6.797222      8.906569
  H      -5.841721      4.697451      9.078356
  H      -6.829789      1.889896      5.957840
  H      -6.863570      0.905814      7.421147
  H      -8.765288      2.477245      6.487976
  H     -11.502613      4.434756      5.988273
  N      -3.442086      2.501650      3.254733
  H      -3.852040      3.349568      2.855426
  H      -3.269129      1.828041      2.510129
95
Coordinates from ORCA-job orca E -6661.167970073358
  N      -3.022217      0.245467      4.550725
  Mo     -3.775988      2.068798      5.167382
  N      -4.953015      1.261392      6.586160
  C      -4.315849      0.579856      7.716836
  C      -2.861521      0.252602      7.412910
  N      -2.233381      1.378049      6.657824
  C      -1.094219      0.921959      5.824778
  C      -1.618465     -0.029404      4.741230
  C      -1.844332      2.502226      7.551271
  C      -1.898795      3.789277      6.743823
  N      -3.119366      3.729535      5.958602
  H      -1.010678      0.109060      3.823783
  H      -1.479424     -1.085819      5.049758
  H      -0.647943      1.818424      5.373758
  H      -0.326889      0.437562      6.452692
  H      -1.917644      4.652343      7.429118
  H      -1.010061      3.911717      6.097550
  H      -2.597466      2.561098      8.348075
  H      -0.856802      2.308464      8.002253
  H      -4.845834     -0.360080      7.968063
  H      -4.377110      1.222933      8.611107
  H      -2.791661     -0.641910      6.787109
  H      -2.301622      0.066141      8.345143
  C       0.737834     -1.489036     -1.896757
  C      -0.651999     -0.908525     -1.943410
  O      -1.091755     -0.446317     -2.993399
  C      -1.518642     -0.881997     -0.709518
  C      -2.784390     -0.304936     -0.861854
  C      -3.697980     -0.206497      0.188325
  O      -4.897607      0.356738     -0.040866
  C      -3.327796     -0.690038      1.481547
  C      -4.274762     -0.564185      2.593395
  O      -5.435465     -0.140585      2.397418
  C      -3.840483     -0.831988      4.031687
  C      -2.058449     -1.283432      1.625592
  C      -1.162881     -1.390000      0.568724
  O       0.062339     -1.982288      0.748046
  C     -10.013145      9.249611      5.349027
  C      -9.910331      7.890273      4.708683
  O     -10.916671      7.430010      4.089110
  C      -8.691038      7.118474      4.820082
  C      -7.552385      7.588990      5.520263
  C      -6.409425      6.828346      5.658588
  O      -5.312640      7.290957      6.344019
  C      -6.345507      5.509013      5.105938
  C      -5.251539      4.617491      5.299703
  O      -5.353020      3.389829      4.869056
  C      -3.944009      4.932273      5.965747
  C      -7.476421      5.044659      4.379824
  C      -8.618455      5.813464      4.225239
  O      -9.664654      5.314516      3.535812
  C     -12.258276      6.218008      7.027378
  C     -10.928441      6.505033      7.692592
  O     -10.762231      7.597622      8.244586
  C      -9.830961      5.494729      7.685666
  C      -8.675857      5.843704      8.410891
  C      -7.562060      5.019164      8.485747
  O      -6.484299      5.428573      9.194487
  C      -7.564252      3.772810      7.784881
  C      -6.355396      2.963684      7.764636
  O      -5.341234      3.300825      8.427799
  C      -6.301043      1.695418      6.892133
  C      -8.722678      3.418037      7.067951
  C      -9.841667      4.240909      7.009039
  O     -10.883356      3.743856      6.273973
  H       1.350028     -0.974997     -1.141858
  H       1.192767     -1.389906     -2.888377
  H       0.705427     -2.546079     -1.595848
  H      -3.056449      0.077691     -1.846143
  H      -5.391993      0.278386      0.841288
  H      -4.771848     -0.924547      4.617014
  H      -3.291020     -1.788204      4.105270
  H      -1.767700     -1.695136      2.593796
  H       0.123185     -2.286867      1.671514
  H     -10.017376      9.150562      6.446769
  H      -9.168268      9.896491      5.072340
  H     -10.951394      9.720135      5.033998
  H      -7.582104      8.575720      5.987876
  H      -5.547016      8.146044      6.748333
  H      -3.439900      5.779385      5.461733
  H      -4.117910      5.270966      7.004299
  H      -7.450026      4.046176      3.946457
  H     -10.371565      6.051775      3.598586
  H     -12.144685      6.229696      5.926895
  H     -12.681475      5.253338      7.346720
  H     -12.958287      7.020240      7.286833
  H      -8.667509      6.806038      8.922764
  H      -5.816340      4.676805      9.082955
  H      -6.843895      1.891684      5.960087
  H      -6.865149      0.901616      7.422167
  H      -8.768157      2.485480      6.506945
  H     -11.498817      4.458608      6.033772
  N      -3.590304      2.459841      3.213554
  H      -4.079521      3.270906      2.829164
  H      -3.409278      1.786877      2.471043
95
Coordinates from ORCA-job orca E -6661.168750640324
  N      -3.011699      0.253044      4.536128
  Mo     -3.786250      2.067547      5.151675
  N      -4.956037      1.257847      6.564513
  C      -4.327294      0.569597      7.697012
  C      -2.869782      0.248450      7.401076
  N      -2.245711      1.379807      6.653300
  C      -1.097676      0.934399      5.829280
  C      -1.609114     -0.017833      4.740937
  C      -1.871014      2.503503      7.551628
  C      -1.912407      3.786698      6.739743
  N      -3.123511      3.728537      5.937844
  H      -0.992138      0.122318      3.830120
  H      -1.472082     -1.073997      5.050326
  H      -0.652038      1.833913      5.384312
  H      -0.333280      0.449819      6.460947
  H      -1.940337      4.652438      7.420981
  H      -1.015074      3.904253      6.105074
  H      -2.634949      2.562301      8.337673
  H      -0.888440      2.312337      8.014951
  H      -4.860615     -0.370801      7.936785
  H      -4.397114      1.209584      8.592631
  H      -2.793434     -0.642062      6.770431
  H      -2.311217      0.060454      8.333466
  C       0.771364     -1.469389     -1.881780
  C      -0.630097     -0.919823     -1.939053
  O      -1.078430     -0.480333     -2.994661
  C      -1.499767     -0.898142     -0.705919
  C      -2.778322     -0.354202     -0.867183
  C      -3.696630     -0.266239      0.180060
  O      -4.910726      0.261600     -0.058977
  C      -3.314837     -0.722004      1.479256
  C      -4.267003     -0.605749      2.587769
  O      -5.440576     -0.226593      2.380480
  C      -3.827706     -0.833040      4.034073
  C      -2.033137     -1.284036      1.632301
  C      -1.133873     -1.383164      0.577945
  O       0.103831     -1.945768      0.764616
  C      -9.986086      9.287188      5.388366
  C      -9.893998      7.932650      4.736390
  O     -10.907821      7.478082      4.126420
  C      -8.677881      7.153693      4.836519
  C      -7.531115      7.615457      5.529001
  C      -6.393289      6.846046      5.657562
  O      -5.288134      7.297839      6.335563
  C      -6.343139      5.526628      5.103695
  C      -5.254598      4.627691      5.291117
  O      -5.366984      3.400175      4.864729
  C      -3.940772      4.935727      5.944340
  C      -7.482632      5.070867      4.385316
  C      -8.618771      5.849945      4.239142
  O      -9.673876      5.360336      3.555900
  C     -12.276736      6.194991      7.052499
  C     -10.936951      6.493334      7.693123
  O     -10.770242      7.588202      8.241015
  C      -9.836544      5.487497      7.681946
  C      -8.678895      5.842089      8.400381
  C      -7.561891      5.021888      8.472182
  O      -6.482435      5.436631      9.175197
  C      -7.561199      3.773628      7.773474
  C      -6.352175      2.967586      7.748479
  O      -5.334867      3.302726      8.408995
  C      -6.301703      1.700985      6.873914
  C      -8.722632      3.413956      7.062499
  C      -9.844453      4.232369      7.008083
  O     -10.886105      3.731011      6.275072
  H       1.370515     -0.932528     -1.132658
  H       1.225782     -1.372791     -2.873802
  H       0.760661     -2.522953     -1.568297
  H      -3.058732      0.008850     -1.856391
  H      -5.407197      0.173705      0.820623
  H      -4.762534     -0.916104      4.615577
  H      -3.282015     -1.789948      4.125152
  H      -1.732976     -1.678882      2.604238
  H       0.170766     -2.234844      1.692548
  H      -9.978348      9.177593      6.484905
  H      -9.142600      9.932907      5.105991
  H     -10.926837      9.762460      5.088871
  H      -7.549621      8.601239      5.998441
  H      -5.511402      8.153641      6.744357
  H      -3.433194      5.774286      5.429819
  H      -4.103961      5.278000      6.983107
  H      -7.469118      4.072938      3.950966
  H     -10.373298      6.104148      3.621894
  H     -12.180969      6.192108      5.950815
  H     -12.692934      5.235076      7.394228
  H     -12.974459      6.999010      7.312109
  H      -8.671114      6.804981      8.910913
  H      -5.811268      4.686957      9.059186
  H      -6.844014      1.902951      5.943083
  H      -6.863955      0.906164      7.403433
  H      -8.768098      2.480421      6.503629
  H     -11.504380      4.444175      6.037766
  N      -3.693650      2.433917      3.184742
  H      -4.248291      3.206677      2.812207
  H      -3.489595      1.766966      2.443550
95
Coordinates from ORCA-job orca E -6661.169403679549
  N      -3.008581      0.247811      4.520740
  Mo     -3.807030      2.052390      5.141970
  N      -4.961634      1.235525      6.555128
  C      -4.338016      0.543550      7.687988
  C      -2.879873      0.232405      7.394846
  N      -2.265174      1.370901      6.650676
  C      -1.108748      0.936164      5.833794
  C      -1.606717     -0.017483      4.739682
  C      -1.907035      2.498856      7.550473
  C      -1.938098      3.776373      6.730676
  N      -3.139802      3.718816      5.912184
  H      -0.981294      0.125945      3.835364
  H      -1.468015     -1.073169      5.048903
  H      -0.664563      1.838564      5.393932
  H      -0.346631      0.453219      6.469826
  H      -1.973081      4.646273      7.406177
  H      -1.032215      3.887647      6.107404
  H      -2.681357      2.558231      8.325804
  H      -0.929256      2.313559      8.026989
  H      -4.872175     -0.398440      7.918132
  H      -4.415671      1.180714      8.585040
  H      -2.798092     -0.654261      6.759184
  H      -2.317270      0.044338      8.324572
  C       0.804878     -1.395321     -1.862892
  C      -0.610400     -0.883595     -1.926741
  O      -1.067977     -0.461068     -2.985126
  C      -1.484158     -0.881165     -0.695175
  C      -2.776706     -0.374699     -0.863028
  C      -3.700684     -0.309006      0.181436
  O      -4.929663      0.180713     -0.062214
  C      -3.307842     -0.744445      1.482718
  C      -4.266374     -0.648620      2.586929
  O      -5.454208     -0.322559      2.371666
  C      -3.824747     -0.847082      4.037504
  C      -2.012005     -1.270377      1.644048
  C      -1.107808     -1.350568      0.591908
  O       0.143874     -1.878912      0.784900
  C      -9.984374      9.302942      5.383950
  C      -9.903790      7.941175      4.745696
  O     -10.920644      7.491440      4.137435
  C      -8.691242      7.155873      4.843849
  C      -7.536287      7.616996      5.524308
  C      -6.400964      6.842561      5.646583
  O      -5.287490      7.293089      6.311475
  C      -6.361616      5.519547      5.099565
  C      -5.273524      4.618533      5.282737
  O      -5.395361      3.388079      4.868119
  C      -3.953143      4.928072      5.915929
  C      -7.509811      5.064930      4.395354
  C      -8.643253      5.849381      4.254336
  O      -9.706937      5.362055      3.583162
  C     -12.231791      6.242088      7.047138
  C     -10.893507      6.520493      7.699274
  O     -10.715357      7.612615      8.249535
  C      -9.804540      5.502487      7.690086
  C      -8.639857      5.849878      8.399688
  C      -7.529542      5.020278      8.468156
  O      -6.441201      5.429989      9.158749
  C      -7.543392      3.768678      7.774714
  C      -6.341292      2.952715      7.745001
  O      -5.318875      3.277852      8.403954
  C      -6.303212      1.688700      6.869982
  C      -8.713316      3.415604      7.073462
  C      -9.828183      4.243480      7.024059
  O     -10.882609      3.745266      6.305964
  H       1.387721     -0.840057     -1.114467
  H       1.258850     -1.290795     -2.854374
  H       0.821447     -2.447392     -1.544943
  H      -3.064840     -0.024661     -1.854769
  H      -5.426762      0.076562      0.814225
  H      -4.759930     -0.921597      4.619763
  H      -3.280620     -1.803299      4.143983
  H      -1.702800     -1.651417      2.618551
  H       0.215379     -2.157973      1.715617
  H      -9.970669      9.203654      6.481262
  H      -9.138518      9.940386      5.089898
  H     -10.924004      9.780907      5.085781
  H      -7.545020      8.605881      5.987191
  H      -5.502894      8.150642      6.720716
  H      -3.447290      5.758481      5.386348
  H      -4.103906      5.278998      6.953609
  H      -7.506525      4.064507      3.966587
  H     -10.402056      6.109475      3.651045
  H     -12.127946      6.239794      5.946408
  H     -12.664610      5.287777      7.383760
  H     -12.919876      7.055789      7.302398
  H      -8.619145      6.815769      8.904177
  H      -5.774144      4.677203      9.036615
  H      -6.846104      1.898066      5.941111
  H      -6.866789      0.894602      7.399060
  H      -8.771444      2.479250      6.520601
  H     -11.500261      4.461087      6.075602
  N      -3.784841      2.379154      3.168073
  H      -4.387299      3.114031      2.794557
  H      -3.545729      1.714766      2.435613
95
Coordinates from ORCA-job orca E -6661.169933507669
  N      -2.994060      0.250673      4.504468
  Mo     -3.820170      2.042393      5.133687
  N      -4.972004      1.224393      6.541679
  C      -4.354795      0.523517      7.673748
  C      -2.894404      0.217119      7.386493
  N      -2.282806      1.362794      6.652003
  C      -1.114668      0.941906      5.844795
  C      -1.593966     -0.009812      4.740990
  C      -1.943397      2.490158      7.559820
  C      -1.957447      3.765277      6.736405
  N      -3.145801      3.710749      5.896618
  H      -0.957867      0.139156      3.845243
  H      -1.452675     -1.065630      5.048986
  H      -0.672767      1.849270      5.413050
  H      -0.355238      0.462251      6.486594
  H      -2.000204      4.636932      7.409271
  H      -1.040051      3.872762      6.129541
  H      -2.733444      2.550199      8.318870
  H      -0.975231      2.305296      8.056285
  H      -4.890979     -0.420779      7.889327
  H      -4.441140      1.153335      8.574875
  H      -2.806317     -0.666187      6.746604
  H      -2.333719      0.026024      8.316776
  C       0.831166     -1.337810     -1.857413
  C      -0.599296     -0.870639     -1.927350
  O      -1.068233     -0.471247     -2.989775
  C      -1.473585     -0.882357     -0.695735
  C      -2.780699     -0.417980     -0.869978
  C      -3.707026     -0.370585      0.174159
  O      -4.951205      0.073776     -0.075165
  C      -3.299856     -0.776164      1.480154
  C      -4.259066     -0.696669      2.584599
  O      -5.460534     -0.427777      2.367985
  C      -3.808445     -0.854887      4.037045
  C      -1.988788     -1.262005      1.648952
  C      -1.083121     -1.327064      0.596563
  O       0.183250     -1.817091      0.795395
  C      -9.970686      9.318163      5.385258
  C      -9.897146      7.959278      4.740561
  O     -10.921286      7.517421      4.136789
  C      -8.689270      7.166004      4.835129
  C      -7.530561      7.624385      5.513038
  C      -6.397045      6.846243      5.633430
  O      -5.280644      7.296210      6.294590
  C      -6.363747      5.521745      5.088889
  C      -5.277825      4.616774      5.272605
  O      -5.408919      3.384719      4.866734
  C      -3.953840      4.924094      5.895287
  C      -7.514752      5.070805      4.388781
  C      -8.646270      5.858518      4.246953
  O      -9.709907      5.373109      3.575730
  C     -12.225024      6.260896      7.087007
  C     -10.879437      6.536286      7.724483
  O     -10.690311      7.630638      8.267398
  C      -9.792691      5.515272      7.703445
  C      -8.620701      5.858575      8.402315
  C      -7.513907      5.023380      8.463659
  O      -6.420818      5.426257      9.148860
  C      -7.538890      3.771580      7.770488
  C      -6.339222      2.950914      7.731664
  O      -5.309258      3.276677      8.379681
  C      -6.310966      1.687404      6.858773
  C      -8.715618      3.422917      7.078389
  C      -9.827170      4.255966      7.037794
  O     -10.890129      3.763757      6.327725
  H       1.396233     -0.758584     -1.113302
  H       1.282839     -1.228846     -2.849556
  H       0.880215     -2.385803     -1.528818
  H      -3.079109     -0.088641     -1.865891
  H      -5.448355     -0.043207      0.798996
  H      -4.740239     -0.921063      4.625217
  H      -3.261022     -1.807424      4.163502
  H      -1.669769     -1.623190      2.627725
  H       0.262424     -2.081679      1.729805
  H      -9.950095      9.213941      6.482193
  H      -9.124756      9.955504      5.090015
  H     -10.910685      9.800131      5.094861
  H      -7.534648      8.614271      5.974268
  H      -5.493427      8.154774      6.703212
  H      -3.446373      5.748110      5.356783
  H      -4.097558      5.284617      6.930763
  H      -7.515622      4.069185      3.962066
  H     -10.402584      6.124014      3.637081
  H     -12.133295      6.246329      5.985213
  H     -12.662454      5.312938      7.436104
  H     -12.904406      7.082460      7.340974
  H      -8.592391      6.824240      8.907088
  H      -5.760031      4.668329      9.030448
  H      -6.855191      1.898837      5.931089
  H      -6.877768      0.895971      7.388906
  H      -8.781611      2.486425      6.526137
  H     -11.505850      4.483015      6.102526
  N      -3.856995      2.354623      3.161790
  H      -4.496160      3.059174      2.791137
  H      -3.576575      1.705876      2.430324
95
Coordinates from ORCA-job orca E -6661.170268232589
  N      -2.976822      0.236811      4.507434
  Mo     -3.829198      2.019266      5.141637
  N      -4.971956      1.205985      6.555370
  C      -4.363705      0.500793      7.689767
  C      -2.903957      0.198062      7.404927
  N      -2.296871      1.345819      6.671164
  C      -1.118235      0.926857      5.879459
  C      -1.581840     -0.025108      4.768869
  C      -1.975311      2.481490      7.575940
  C      -1.966661      3.747413      6.738790
  N      -3.140206      3.695716      5.875567
  H      -0.930636      0.124832      3.884058
  H      -1.443711     -1.081057      5.077885
  H      -0.670352      1.833406      5.452927
  H      -0.367785      0.447731      6.532047
  H      -2.013286      4.626391      7.401719
  H      -1.037016      3.841722      6.148824
  H      -2.782865      2.550203      8.315271
  H      -1.018897      2.300035      8.096391
  H      -4.902511     -0.443878      7.896133
  H      -4.456502      1.127318      8.592227
  H      -2.814375     -0.683677      6.762780
  H      -2.339964      0.006376      8.333137
  C       0.816340     -1.243418     -1.866286
  C      -0.617208     -0.783739     -1.921158
  O      -1.092049     -0.364585     -2.973232
  C      -1.487283     -0.827543     -0.687155
  C      -2.797635     -0.368108     -0.847871
  C      -3.720116     -0.348796      0.200983
  O      -4.969043      0.088587     -0.033727
  C      -3.303670     -0.774871      1.496789
  C      -4.259702     -0.725296      2.605849
  O      -5.466823     -0.478327      2.395785
  C      -3.798849     -0.870875      4.056081
  C      -1.989663     -1.257573      1.652345
  C      -1.089071     -1.297433      0.593975
  O       0.179852     -1.787806      0.776802
  C      -9.953311      9.320760      5.349759
  C      -9.882460      7.956818      4.715976
  O     -10.912235      7.507369      4.126280
  C      -8.676581      7.162213      4.810939
  C      -7.510153      7.626584      5.472337
  C      -6.378459      6.845558      5.592982
  O      -5.255167      7.300751      6.239210
  C      -6.355089      5.513359      5.065994
  C      -5.271728      4.606008      5.256029
  O      -5.417082      3.367048      4.877447
  C      -3.940073      4.915250      5.859345
  C      -7.513521      5.058006      4.382839
  C      -8.643784      5.847647      4.240283
  O      -9.716285      5.357850      3.587211
  C     -12.217223      6.263634      7.099861
  C     -10.859961      6.547053      7.707360
  O     -10.662278      7.646633      8.236335
  C      -9.776675      5.520913      7.691835
  C      -8.597380      5.871365      8.374126
  C      -7.493373      5.032356      8.440420
  O      -6.392637      5.441937      9.107635
  C      -7.530233      3.769697      7.768409
  C      -6.333110      2.944416      7.732473
  O      -5.298485      3.276815      8.370146
  C      -6.310911      1.675670      6.870163
  C      -8.713107      3.414383      7.090718
  C      -9.821698      4.251125      7.046311
  O     -10.892213      3.753407      6.351509
  H       1.380571     -0.678465     -1.110591
  H       1.264111     -1.109462     -2.857114
  H       0.873612     -2.298185     -1.560955
  H      -3.101774     -0.021118     -1.835988
  H      -5.462966     -0.053612      0.838155
  H      -4.725451     -0.924549      4.653147
  H      -3.255341     -1.825054      4.191326
  H      -1.666526     -1.637722      2.622298
  H       0.263786     -2.069275      1.705799
  H      -9.919987      9.226357      6.447439
  H      -9.112429      9.958754      5.041269
  H     -10.897612      9.797561      5.065036
  H      -7.506797      8.622595      5.920117
  H      -5.463465      8.163289      6.641696
  H      -3.432143      5.725924      5.301493
  H      -4.071771      5.296770      6.888751
  H      -7.522658      4.050164      3.970780
  H     -10.404821      6.112769      3.643933
  H     -12.146335      6.223795      5.997038
  H     -12.653644      5.325474      7.476123
  H     -12.888171      7.094080      7.347529
  H      -8.560568      6.845473      8.861815
  H      -5.736140      4.679773      8.997925
  H      -6.856096      1.882087      5.942015
  H      -6.880049      0.888674      7.404430
  H      -8.785761      2.469731      6.553151
  H     -11.503753      4.472992      6.116223
  N      -3.917098      2.281106      3.167873
  H      -4.574136      2.959901      2.781914
  H      -3.603680      1.628430      2.453619
95
Coordinates from ORCA-job orca E -6661.170494176426
  N      -2.953251      0.237744      4.507778
  Mo     -3.836261      2.003979      5.148160
  N      -4.982448      1.192173      6.557046
  C      -4.376674      0.477744      7.688859
  C      -2.912550      0.181127      7.408739
  N      -2.306409      1.335085      6.685879
  C      -1.116478      0.930377      5.904874
  C      -1.561251     -0.019481      4.786780
  C      -2.002647      2.468486      7.598508
  C      -1.978785      3.734017      6.761663
  N      -3.138925      3.681062      5.879958
  H      -0.899607      0.135734      3.910549
  H      -1.421440     -1.075639      5.095363
  H      -0.673004      1.842602      5.485616
  H      -0.367051      0.456758      6.562421
  H      -2.035109      4.613008      7.423715
  H      -1.039876      3.830515      6.187034
  H      -2.827120      2.537269      8.319000
  H      -1.058287      2.285786      8.140044
  H      -4.912671     -0.471282      7.881479
  H      -4.477026      1.093918      8.597303
  H      -2.815470     -0.698154      6.764310
  H      -2.354147     -0.013521      8.339952
  C       0.801909     -1.141533     -1.893109
  C      -0.653306     -0.755106     -1.941749
  O      -1.157928     -0.381271     -2.997008
  C      -1.508996     -0.818023     -0.698963
  C      -2.841909     -0.426661     -0.855272
  C      -3.753555     -0.431832      0.203062
  O      -5.025215     -0.063581     -0.026532
  C      -3.303664     -0.808776      1.503059
  C      -4.249522     -0.781934      2.622099
  O      -5.469937     -0.611247      2.417989
  C      -3.768007     -0.882104      4.069739
  C      -1.966354     -1.224141      1.654076
  C      -1.076053     -1.242226      0.586600
  O       0.217047     -1.667468      0.763937
  C      -9.944091      9.324771      5.335506
  C      -9.873486      7.956593      4.710890
  O     -10.900378      7.506010      4.115700
  C      -8.668926      7.162417      4.808314
  C      -7.500325      7.625855      5.466211
  C      -6.370086      6.842487      5.587088
  O      -5.244262      7.297696      6.229630
  C      -6.351678      5.508650      5.064645
  C      -5.271807      4.597233      5.257178
  O      -5.424268      3.356934      4.889031
  C      -3.935993      4.904127      5.855895
  C      -7.512555      5.054774      4.384324
  C      -8.640842      5.846668      4.240669
  O      -9.717089      5.360170      3.591285
  C     -12.176014      6.312790      7.051235
  C     -10.829253      6.572871      7.691638
  O     -10.629015      7.665607      8.233425
  C      -9.757699      5.534093      7.687030
  C      -8.578957      5.873309      8.376553
  C      -7.482684      5.024558      8.447541
  O      -6.378779      5.427145      9.114052
  C      -7.529329      3.762156      7.776265
  C      -6.339190      2.926743      7.743799
  O      -5.306531      3.245807      8.390971
  C      -6.322136      1.662421      6.873652
  C      -8.711781      3.416861      7.093371
  C      -9.812415      4.263681      7.042652
  O     -10.885129      3.774530      6.346401
  H       1.343617     -0.535412     -1.152750
  H       1.234140     -1.003617     -2.890175
  H       0.915245     -2.186323     -1.569041
  H      -3.171974     -0.115612     -1.846943
  H      -5.503660     -0.214463      0.852192
  H      -4.687954     -0.937419      4.676828
  H      -3.212207     -1.827938      4.218218
  H      -1.618002     -1.568546      2.628664
  H       0.325487     -1.925656      1.697075
  H      -9.909479      9.239055      6.434017
  H      -9.103922      9.962110      5.023207
  H     -10.888601      9.799207      5.047231
  H      -7.494244      8.623399      5.910703
  H      -5.450731      8.162905      6.627307
  H      -3.427585      5.710168      5.291850
  H      -4.062841      5.296255      6.881750
  H      -7.524368      4.045219      3.976419
  H     -10.401951      6.118192      3.649977
  H     -12.081446      6.279084      5.949608
  H     -12.633974      5.377741      7.409540
  H     -12.840849      7.150820      7.289738
  H      -8.535023      6.848475      8.861567
  H      -5.727445      4.661657      9.003232
  H      -6.868413      1.871968      5.946975
  H      -6.894362      0.875236      7.403869
  H      -8.789876      2.472167      6.556445
  H     -11.492808      4.498087      6.113579
  N      -3.984803      2.264455      3.179964
  H      -4.673713      2.914945      2.802221
  H      -3.631468      1.639085      2.460501
95
Coordinates from ORCA-job orca E -6661.170612111622
  N      -2.946503      0.229831      4.507132
  Mo     -3.842614      1.987883      5.155565
  N      -4.984457      1.171052      6.565043
  C      -4.386002      0.450406      7.695369
  C      -2.922263      0.160439      7.416153
  N      -2.317130      1.317851      6.699010
  C      -1.120484      0.912568      5.930531
  C      -1.557782     -0.029366      4.801879
  C      -2.024129      2.453945      7.612077
  C      -1.988993      3.718038      6.773753
  N      -3.140092      3.667683      5.878452
  H      -0.887368      0.132875      3.933463
  H      -1.420859     -1.087255      5.103656
  H      -0.665991      1.823756      5.521371
  H      -0.381762      0.430163      6.593684
  H      -2.049208      4.598120      7.433773
  H      -1.044636      3.811626      6.207927
  H      -2.859456      2.525376      8.319785
  H      -1.087604      2.272827      8.167412
  H      -4.920761     -0.500515      7.880347
  H      -4.489798      1.059559      8.608216
  H      -2.824789     -0.715009      6.766516
  H      -2.364394     -0.039619      8.346634
  C       0.774530     -1.001919     -1.894131
  C      -0.700056     -0.697544     -1.940642
  O      -1.229534     -0.370482     -2.999289
  C      -1.543708     -0.783382     -0.691923
  C      -2.896521     -0.464605     -0.845286
  C      -3.799993     -0.498437      0.218839
  O      -5.091188     -0.202433     -0.009452
  C      -3.323221     -0.826791      1.522536
  C      -4.260989     -0.824154      2.650119
  O      -5.489976     -0.729064      2.452157
  C      -3.761430     -0.898369      4.094105
  C      -1.965793     -1.168756      1.670408
  C      -1.081978     -1.160713      0.597641
  O       0.232666     -1.514282      0.773007
  C      -9.908096      9.346264      5.291388
  C      -9.849425      7.976272      4.669577
  O     -10.878678      7.534284      4.072917
  C      -8.651015      7.172346      4.774766
  C      -7.482309      7.630008      5.435389
  C      -6.358158      6.839826      5.566671
  O      -5.230542      7.291585      6.208166
  C      -6.347452      5.502749      5.054613
  C      -5.273452      4.586180      5.254402
  O      -5.432148      3.344342      4.899843
  C      -3.933752      4.893306      5.847752
  C      -7.508203      5.052570      4.370880
  C      -8.628996      5.852254      4.214015
  O      -9.701328      5.369620      3.554883
  C     -12.153576      6.320121      7.047171
  C     -10.803472      6.577975      7.681925
  O     -10.591375      7.678083      8.203368
  C      -9.738217      5.533129      7.682688
  C      -8.555612      5.871678      8.366109
  C      -7.464584      5.017002      8.443344
  O      -6.358347      5.419116      9.107499
  C      -7.519667      3.749440      7.782693
  C      -6.333852      2.908194      7.750623
  O      -5.297182      3.224292      8.391198
  C      -6.324468      1.641762      6.880760
  C      -8.706057      3.404788      7.106584
  C      -9.802546      4.256713      7.051370
  O     -10.880461      3.766019      6.365193
  H       1.284431     -0.354460     -1.166381
  H       1.194229     -0.856024     -2.895289
  H       0.946949     -2.033672     -1.554981
  H      -3.248765     -0.189638     -1.839861
  H      -5.556181     -0.367709      0.873210
  H      -4.675026     -0.955161      4.711455
  H      -3.198713     -1.839920      4.243439
  H      -1.594217     -1.473290      2.649926
  H       0.362440     -1.747204      1.709987
  H      -9.878676      9.261787      6.389906
  H      -9.060593      9.974242      4.980642
  H     -10.846776      9.829625      4.998727
  H      -7.470703      8.630722      5.872495
  H      -5.432496      8.159903      6.601261
  H      -3.427063      5.695083      5.276493
  H      -4.056558      5.292985      6.871022
  H      -7.524582      4.041491      3.967443
  H     -10.378355      6.135794      3.595940
  H     -12.060095      6.271921      5.946054
  H     -12.617335      5.393159      7.418272
  H     -12.811866      7.165869      7.275911
  H      -8.504829      6.850629      8.842622
  H      -5.713984      4.646515      9.007486
  H      -6.870221      1.853488      5.954476
  H      -6.899011      0.856567      7.410589
  H      -8.790735      2.455792      6.578604
  H     -11.484798      4.490212      6.125836
  N      -4.002745      2.212089      3.182420
  H      -4.675359      2.866585      2.784627
  H      -3.621019      1.587008      2.477721
95
Coordinates from ORCA-job orca E -6661.170758098290
  N      -2.937307      0.178935      4.549368
  Mo     -3.847474      1.934640      5.187551
  N      -4.990432      1.135825      6.608158
  C      -4.389117      0.426610      7.744552
  C      -2.924453      0.133070      7.466670
  N      -2.318785      1.282233      6.737582
  C      -1.119915      0.872760      5.974244
  C      -1.552128     -0.082692      4.856212
  C      -2.029186      2.428417      7.638719
  C      -1.988213      3.682198      6.785990
  N      -3.134591      3.621831      5.885380
  H      -0.873724      0.065834      3.991122
  H      -1.421546     -1.137498      5.171609
  H      -0.670153      1.781856      5.555191
  H      -0.378407      0.402624      6.643281
  H      -2.051884      4.569487      7.436156
  H      -1.040799      3.771175      6.224283
  H      -2.869729      2.508833      8.339482
  H      -1.096899      2.251519      8.202621
  H      -4.922523     -0.523328      7.938412
  H      -4.492520      1.043581      8.652471
  H      -2.827625     -0.749298      6.826473
  H      -2.366635     -0.057703      8.399287
  C       0.715245     -0.807037     -1.917869
  C      -0.766861     -0.538872     -1.937694
  O      -1.318050     -0.201915     -2.982191
  C      -1.593323     -0.671697     -0.680957
  C      -2.954398     -0.379404     -0.812867
  C      -3.845254     -0.456777      0.259609
  O      -5.144749     -0.183309      0.051497
  C      -3.346874     -0.804508      1.550502
  C      -4.271560     -0.848545      2.688739
  O      -5.504410     -0.772535      2.507652
  C      -3.754299     -0.944449      4.124636
  C      -1.980875     -1.119270      1.676353
  C      -1.109231     -1.067512      0.595110
  O       0.214863     -1.395718      0.748962
  C      -9.874033      9.323208      5.188349
  C      -9.826180      7.940759      4.594592
  O     -10.861119      7.494689      4.009766
  C      -8.635857      7.128349      4.721748
  C      -7.462191      7.596117      5.366677
  C      -6.342127      6.803766      5.515229
  O      -5.209369      7.267116      6.139753
  C      -6.339928      5.453508      5.038057
  C      -5.270050      4.536983      5.254553
  O      -5.437367      3.287464      4.929960
  C      -3.925299      4.849246      5.834860
  C      -7.507430      4.990267      4.373522
  C      -8.624760      5.791100      4.199651
  O      -9.703841      5.294406      3.562381
  C     -12.118473      6.353829      7.027583
  C     -10.758635      6.615464      7.639361
  O     -10.535918      7.721451      8.143617
  C      -9.700342      5.562824      7.648710
  C      -8.512510      5.901523      8.322497
  C      -7.430872      5.036079      8.414104
  O      -6.319877      5.436819      9.071752
  C      -7.501438      3.757070      7.777537
  C      -6.325049      2.901513      7.762419
  O      -5.286868      3.217125      8.399589
  C      -6.327104      1.615683      6.920833
  C      -8.691689      3.414209      7.107049
  C      -9.778650      4.277535      7.037172
  O     -10.860597      3.788796      6.356295
  H       1.218945     -0.164204     -1.181742
  H       1.117068     -0.627246     -2.920970
  H       0.918325     -1.841538     -1.605223
  H      -3.322961     -0.089768     -1.797496
  H      -5.595219     -0.375991      0.936454
  H      -4.661398     -1.016494      4.750820
  H      -3.187438     -1.886477      4.251345
  H      -1.593109     -1.437051      2.645323
  H       0.359491     -1.647858      1.678962
  H      -9.840783      9.261595      6.288531
  H      -9.023533      9.939431      4.862018
  H     -10.810476      9.806734      4.888628
  H      -7.443188      8.608906      5.775221
  H      -5.405232      8.148296      6.506738
  H      -3.417914      5.638144      5.246298
  H      -4.040874      5.270037      6.850634
  H      -7.530652      3.967901      3.999624
  H     -10.377506      6.066268      3.586140
  H     -12.038697      6.272417      5.927465
  H     -12.587381      5.442872      7.431248
  H     -12.765982      7.212190      7.239445
  H      -8.451396      6.887997      8.782129
  H      -5.685292      4.653984      8.986791
  H      -6.877334      1.809131      5.993202
  H      -6.901672      0.843877      7.470180
  H      -8.786849      2.457243      6.595497
  H     -11.453895      4.516894      6.100766
  N      -4.045601      2.131662      3.216412
  H      -4.737899      2.762958      2.814813
  H      -3.650041      1.507445      2.518514
95
Coordinates from ORCA-job orca E -6661.170886603824
  N      -2.893689      0.180296      4.587047
  Mo     -3.820163      1.926125      5.225349
  N      -4.974244      1.124475      6.635618
  C      -4.381151      0.414129      7.775282
  C      -2.912854      0.124384      7.510088
  N      -2.302855      1.275523      6.789452
  C      -1.094751      0.870952      6.039108
  C      -1.512050     -0.080019      4.912203
  C      -2.024876      2.421035      7.694634
  C      -1.976173      3.675305      6.843498
  N      -3.112452      3.613300      5.930512
  H      -0.822140      0.074679      4.057412
  H      -1.383976     -1.135754      5.224433
  H      -0.641155      1.782465      5.629709
  H      -0.360758      0.398662      6.714898
  H      -2.049343      4.561835      7.493658
  H      -1.023055      3.767105      6.291912
  H      -2.873596      2.500079      8.385657
  H      -1.098581      2.244472      8.268343
  H      -4.913072     -0.538145      7.961377
  H      -4.494468      1.027557      8.684427
  H      -2.808774     -0.756154      6.868456
  H      -2.363882     -0.067986      8.447582
  C       0.590024     -0.728798     -2.002124
  C      -0.895250     -0.480272     -1.979521
  O      -1.481787     -0.155958     -3.008624
  C      -1.682986     -0.624096     -0.699202
  C      -3.051698     -0.353284     -0.791322
  C      -3.910350     -0.447084      0.305749
  O      -5.220031     -0.196052      0.134407
  C      -3.369779     -0.790201      1.580761
  C      -4.262638     -0.856856      2.743616
  O      -5.500345     -0.800537      2.594087
  C      -3.708312     -0.947143      4.167462
  C      -1.996566     -1.083349      1.666174
  C      -1.156607     -1.014779      0.561426
  O       0.176005     -1.323322      0.676118
  C      -9.833220      9.328064      5.146061
  C      -9.779227      7.943639      4.557228
  O     -10.806269      7.494871      3.961660
  C      -8.590831      7.131425      4.699848
  C      -7.422516      7.597874      5.354622
  C      -6.307316      6.802069      5.518477
  O      -5.180198      7.263006      6.154622
  C      -6.305006      5.449657      5.047014
  C      -5.241665      4.529840      5.278559
  O      -5.410168      3.278622      4.961892
  C      -3.900836      4.841313      5.868508
  C      -7.467586      4.987727      4.371571
  C      -8.579038      5.792866      4.182542
  O      -9.655463      5.299517      3.537194
  C     -12.116257      6.320045      6.914426
  C     -10.771585      6.587346      7.556930
  O     -10.561950      7.696208      8.060453
  C      -9.711873      5.537283      7.592366
  C      -8.534299      5.884233      8.279742
  C      -7.452379      5.021914      8.393357
  O      -6.350656      5.430881      9.062366
  C      -7.510823      3.737893      7.765997
  C      -6.331877      2.886551      7.771761
  O      -5.303572      3.209919      8.419887
  C      -6.316531      1.596385      6.935058
  C      -8.691927      3.386285      7.083842
  C      -9.779895      4.246287      6.992724
  O     -10.852717      3.748488      6.304206
  H       1.105993     -0.077327     -1.282403
  H       0.959896     -0.546204     -3.016907
  H       0.814997     -1.759793     -1.693458
  H      -3.453132     -0.069005     -1.764563
  H      -5.641778     -0.399623      1.030811
  H      -4.603463     -1.033828      4.809289
  H      -3.133806     -1.886922      4.274379
  H      -1.577182     -1.399665      2.621755
  H       0.351618     -1.574533      1.601026
  H      -9.811238      9.269432      6.246538
  H      -8.979656      9.943056      4.825825
  H     -10.766678      9.810513      4.835584
  H      -7.404710      8.611920      5.759859
  H      -5.375797      8.147428      6.513867
  H      -3.387062      5.626014      5.279987
  H      -4.023667      5.266439      6.881550
  H      -7.491099      3.963978      4.001781
  H     -10.324540      6.075432      3.551986
  H     -12.010630      6.237348      5.816800
  H     -12.590080      5.407938      7.309393
  H     -12.771974      7.175994      7.109850
  H      -8.481118      6.875075      8.730709
  H      -5.713595      4.648382      8.992398
  H      -6.860047      1.782444      6.002178
  H      -6.888806      0.822337      7.483310
  H      -8.778431      2.424765      6.579492
  H     -11.444850      4.472745      6.035248
  N      -4.021183      2.119934      3.252124
  H      -4.706222      2.754539      2.843530
  H      -3.607589      1.503994      2.557162
95
Coordinates from ORCA-job orca E -6661.171028150610
  N      -2.863175      0.165394      4.620836
  Mo     -3.807089      1.900496      5.258938
  N      -4.968963      1.097013      6.663142
  C      -4.379829      0.388215      7.805009
  C      -2.909227      0.102271      7.549062
  N      -2.296710      1.255102      6.834912
  C      -1.081145      0.855174      6.095091
  C      -1.485398     -0.095296      4.963907
  C      -2.029065      2.401481      7.741669
  C      -1.974056      3.654517      6.889328
  N      -3.101266      3.588640      5.965581
  H      -0.784348      0.060182      4.118147
  H      -1.361280     -1.150726      5.277390
  H      -0.626914      1.768757      5.691091
  H      -0.351435      0.384530      6.776600
  H      -2.056273      4.541535      7.537745
  H      -1.015953      3.748753      6.346881
  H      -2.884847      2.480783      8.423926
  H      -1.108130      2.226193      8.324209
  H      -4.909067     -0.566366      7.987414
  H      -4.500053      0.999665      8.714691
  H      -2.799340     -0.777132      6.906634
  H      -2.367592     -0.091141      8.490605
  C       0.474165     -0.561805     -2.048919
  C      -1.021861     -0.395623     -2.001817
  O      -1.645261     -0.122624     -3.024080
  C      -1.774360     -0.557861     -0.702774
  C      -3.157667     -0.364413     -0.769073
  C      -3.987143     -0.488785      0.347368
  O      -5.311982     -0.311465      0.200645
  C      -3.402074     -0.785494      1.613983
  C      -4.264554     -0.889033      2.796817
  O      -5.505905     -0.899101      2.675138
  C      -3.672994     -0.967504      4.207133
  C      -2.013080     -0.996790      1.674468
  C      -1.200619     -0.896673      0.552079
  O       0.149586     -1.125028      0.643207
  C      -9.782887      9.332199      5.081263
  C      -9.732895      7.942405      4.504576
  O     -10.756566      7.495473      3.902322
  C      -8.550312      7.124913      4.663292
  C      -7.384068      7.589434      5.322858
  C      -6.275893      6.787681      5.503328
  O      -5.151518      7.246271      6.146031
  C      -6.278794      5.430964      5.044505
  C      -5.223947      4.506540      5.293613
  O      -5.397973      3.251941      4.994187
  C      -3.885396      4.818261      5.888247
  C      -7.439431      4.970585      4.363510
  C      -8.543069      5.781965      4.157582
  O      -9.618510      5.291036      3.508053
  C     -12.084409      6.322373      6.822041
  C     -10.746006      6.587104      7.478864
  O     -10.539051      7.695846      7.983663
  C      -9.694749      5.529822      7.539460
  C      -8.522521      5.877561      8.235350
  C      -7.448084      5.009487      8.372368
  O      -6.350708      5.421007      9.047232
  C      -7.507769      3.718152      7.760600
  C      -6.334620      2.859286      7.788793
  O      -5.311931      3.182124      8.445001
  C      -6.313249      1.565902      6.955886
  C      -8.683548      3.366021      7.069916
  C      -9.765280      4.231337      6.956637
  O     -10.833822      3.730185      6.264271
  H       0.966070      0.130825     -1.351111
  H       0.814327     -0.378462     -3.073855
  H       0.760660     -1.572907     -1.726072
  H      -3.594469     -0.118325     -1.737439
  H      -5.703481     -0.522327      1.108554
  H      -4.553378     -1.076192      4.866604
  H      -3.085121     -1.901415      4.290569
  H      -1.557018     -1.271131      2.626173
  H       0.358834     -1.349159      1.568060
  H      -9.768238      9.282373      6.182113
  H      -8.923916      9.939421      4.760865
  H     -10.711514      9.817420      4.760878
  H      -7.363152      8.606791      5.719516
  H      -5.342618      8.136990      6.491738
  H      -3.365553      5.595641      5.295409
  H      -4.012649      5.252750      6.896798
  H      -7.466766      3.943690      4.003056
  H     -10.280571      6.073205      3.508487
  H     -11.965980      6.231158      5.726487
  H     -12.567341      5.415964      7.218893
  H     -12.738076      7.182954      7.003304
  H      -8.467219      6.874207      8.672966
  H      -5.717694      4.634180      8.994227
  H      -6.854491      1.747383      6.020945
  H      -6.883762      0.792433      7.506399
  H      -8.770729      2.398913      6.576432
  H     -11.418629      4.453757      5.978330
  N      -4.021894      2.082609      3.285760
  H      -4.711235      2.708703      2.871752
  H      -3.592368      1.472439      2.595409
95
Coordinates from ORCA-job orca E -6661.171135168917
  N      -2.812408      0.133399      4.679849
  Mo     -3.783559      1.852252      5.314624
  N      -4.960916      1.045614      6.705946
  C      -4.382157      0.342792      7.855763
  C      -2.908481      0.060291      7.618803
  N      -2.289594      1.214843      6.914857
  C      -1.061180      0.819785      6.194907
  C      -1.443249     -0.131325      5.057851
  C      -2.039491      2.363602      7.823087
  C      -1.972153      3.613826      6.967303
  N      -3.082865      3.542084      6.024095
  H      -0.720527      0.021462      4.229421
  H      -1.329247     -1.185823      5.375567
  H      -0.603989      1.735310      5.798807
  H      -0.340702      0.351723      6.887947
  H      -2.069744      4.502513      7.611360
  H      -1.004758      3.710053      6.442063
  H      -2.906607      2.443939      8.490692
  H      -1.127581      2.191161      8.420420
  H      -4.909646     -0.613550      8.035039
  H      -4.514495      0.955489      8.763044
  H      -2.788957     -0.817923      6.976206
  H      -2.380294     -0.134306      8.567718
  C       0.262090     -0.248189     -2.118472
  C      -1.241127     -0.234970     -2.027719
  O      -1.920184     -0.061171     -3.035912
  C      -1.932983     -0.436328     -0.700510
  C      -3.330178     -0.385800     -0.724714
  C      -4.108406     -0.564351      0.421310
  O      -5.448247     -0.521021      0.315347
  C      -3.457185     -0.774645      1.671752
  C      -4.265515     -0.941269      2.885004
  O      -5.504027     -1.059280      2.808771
  C      -3.615260     -1.005589      4.271497
  C      -2.052916     -0.837567      1.691601
  C      -1.288747     -0.679919      0.542493
  O       0.079842     -0.760399      0.597022
  C      -9.696668      9.329323      4.949093
  C      -9.652539      7.929119      4.397063
  O     -10.670184      7.482702      3.784647
  C      -8.481709      7.102363      4.590047
  C      -7.319604      7.566841      5.257161
  C      -6.223131      6.756691      5.468356
  O      -5.103276      7.215172      6.119062
  C      -6.233920      5.391500      5.034775
  C      -5.192553      4.461896      5.315872
  O      -5.375453      3.201538      5.046008
  C      -3.858941      4.774814      5.920123
  C      -7.391416      4.930280      4.347685
  C      -8.482452      5.749964      4.111184
  O      -9.555945      5.259650      3.456873
  C     -12.025895      6.332730      6.689616
  C     -10.696396      6.590412      7.367104
  O     -10.481678      7.705372      7.854684
  C      -9.657468      5.522762      7.456707
  C      -8.491137      5.869102      8.162601
  C      -7.430799      4.989935      8.333506
  O      -6.340381      5.400315      9.020153
  C      -7.496414      3.688792      7.744017
  C      -6.333750      2.817025      7.804756
  O      -5.321703      3.135356      8.478420
  C      -6.307554      1.514865      6.984625
  C      -8.665239      3.339172      7.040781
  C      -9.735036      4.214860      6.896186
  O     -10.799019      3.712418      6.197716
  H       0.699934      0.512832     -1.456910
  H       0.550910     -0.063480     -3.158828
  H       0.659859     -1.214420     -1.776667
  H      -3.819639     -0.209835     -1.683181
  H      -5.789393     -0.740996      1.240450
  H      -4.469623     -1.152292      4.958701
  H      -3.007911     -1.930049      4.311172
  H      -1.542060     -1.031511      2.634990
  H       0.337966     -0.934043      1.520516
  H      -9.696644      9.297179      6.050600
  H      -8.827785      9.922295      4.628830
  H     -10.616266      9.818114      4.608813
  H      -7.293186      8.591295      5.634783
  H      -5.286526      8.117239      6.438400
  H      -3.327122      5.539465      5.321557
  H      -3.995559      5.224229      6.920954
  H      -7.425206      3.896988      4.006622
  H     -10.205712      6.051604      3.428787
  H     -11.888782      6.217717      5.598572
  H     -12.529143      5.442299      7.097044
  H     -12.670026      7.206075      6.841587
  H      -8.430227      6.872653      8.583272
  H      -5.718234      4.603942      8.997282
  H      -6.843591      1.687039      6.045299
  H      -6.877642      0.746253      7.542123
  H      -8.756542      2.364743      6.562529
  H     -11.369614      4.436797      5.886437
  N      -4.013756      2.014577      3.340986
  H      -4.707219      2.629360      2.917544
  H      -3.555444      1.417861      2.657753
95
Coordinates from ORCA-job orca E -6661.171199249965
  N      -2.806912      0.126706      4.690373
  Mo     -3.779200      1.845683      5.323507
  N      -4.960810      1.038450      6.711574
  C      -4.385721      0.339670      7.865892
  C      -2.912602      0.054486      7.633534
  N      -2.290656      1.208111      6.930289
  C      -1.061102      0.810413      6.213413
  C      -1.441890     -0.145060      5.079965
  C      -2.041444      2.357991      7.837373
  C      -1.970898      3.606828      6.979287
  N      -3.078808      3.535172      6.032321
  H      -0.711726     -0.002727      4.255658
  H      -1.336169     -1.198097      5.404474
  H      -0.603147      1.724228      5.814184
  H      -0.341775      0.344723      6.909304
  H      -2.070287      4.496774      7.621376
  H      -1.001349      3.701028      6.457757
  H      -2.908915      2.439977      8.504173
  H      -1.130103      2.186291      8.435902
  H      -4.915396     -0.614932      8.048287
  H      -4.519306      0.956784      8.769984
  H      -2.792753     -0.824129      6.991540
  H      -2.386904     -0.140465      8.583761
  C       0.233386     -0.197957     -2.132514
  C      -1.269594     -0.222216     -2.036600
  O      -1.956178     -0.066183     -3.042524
  C      -1.952235     -0.428396     -0.705159
  C      -3.349972     -0.403250     -0.724725
  C      -4.121241     -0.584552      0.425737
  O      -5.461483     -0.561854      0.324101
  C      -3.462675     -0.775171      1.675447
  C      -4.264082     -0.944680      2.893241
  O      -5.502359     -1.072058      2.824442
  C      -3.609192     -1.010730      4.277599
  C      -2.056756     -0.812877      1.690986
  C      -1.299303     -0.649381      0.537734
  O       0.070673     -0.701282      0.589925
  C      -9.679888      9.328941      4.936926
  C      -9.639193      7.928670      4.384799
  O     -10.658703      7.485485      3.772623
  C      -8.470145      7.099165      4.578709
  C      -7.306613      7.565037      5.243227
  C      -6.210721      6.754456      5.456383
  O      -5.089763      7.214621      6.104173
  C      -6.223325      5.387201      5.028684
  C      -5.183819      4.457529      5.316281
  O      -5.370384      3.195147      5.055430
  C      -3.850919      4.770293      5.921820
  C      -7.381777      4.924900      4.344455
  C      -8.472450      5.744641      4.105518
  O      -9.546468      5.251441      3.454367
  C     -12.025862      6.329794      6.680548
  C     -10.694522      6.590893      7.352586
  O     -10.482708      7.704063      7.845430
  C      -9.655296      5.523135      7.443607
  C      -8.488495      5.870749      8.147806
  C      -7.429234      4.990743      8.321970
  O      -6.339076      5.401902      9.007863
  C      -7.496494      3.687732      7.736749
  C      -6.334833      2.814197      7.802190
  O      -5.325604      3.132229      8.480540
  C      -6.308055      1.509873      6.986506
  C      -8.665594      3.336899      7.034757
  C      -9.734598      4.213296      6.887832
  O     -10.801014      3.708944      6.194003
  H       0.654513      0.576800     -1.476025
  H       0.513914     -0.010885     -3.174768
  H       0.656932     -1.152358     -1.788004
  H      -3.845761     -0.243054     -1.682752
  H      -5.796492     -0.773739      1.253505
  H      -4.460095     -1.164916      4.967841
  H      -2.999642     -1.934270      4.307555
  H      -1.538323     -0.985885      2.634240
  H       0.333035     -0.860617      1.514812
  H      -9.678509      9.296125      6.038518
  H      -8.809979      9.920035      4.615706
  H     -10.598865      9.819838      4.597943
  H      -7.278542      8.590911      5.617015
  H      -5.270786      8.119177      6.417693
  H      -3.314939      5.531012      5.322140
  H      -3.989336      5.223294      6.920865
  H      -7.417218      3.890137      4.007744
  H     -10.195909      6.043621      3.422010
  H     -11.893459      6.215733      5.588844
  H     -12.524797      5.437575      7.089603
  H     -12.671694      7.201362      6.835896
  H      -8.426492      6.875422      8.565730
  H      -5.718208      4.604674      8.989728
  H      -6.843070      1.678802      6.046110
  H      -6.878131      0.743238      7.546901
  H      -8.758624      2.360532      6.560666
  H     -11.370866      4.432821      5.879975
  N      -4.011947      2.004664      3.351074
  H      -4.702312      2.623777      2.928680
  H      -3.539846      1.422491      2.665036
95
Coordinates from ORCA-job orca E -6661.171257390702
  N      -2.798497      0.110298      4.713662
  Mo     -3.772547      1.829675      5.344875
  N      -4.958057      1.023511      6.730799
  C      -4.387369      0.332803      7.892728
  C      -2.915422      0.042580      7.664898
  N      -2.289882      1.193390      6.959636
  C      -1.059938      0.790421      6.245997
  C      -1.441265     -0.174832      5.122253
  C      -2.040449      2.346162      7.862591
  C      -1.964129      3.591253      6.998827
  N      -3.068600      3.519311      6.047392
  H      -0.699349     -0.054448      4.304112
  H      -1.351224     -1.224507      5.461287
  H      -0.602414      1.700607      5.837962
  H      -0.340370      0.331041      6.945901
  H      -2.064140      4.484430      7.636313
  H      -0.991556      3.680076      6.482078
  H      -2.908203      2.432370      8.528256
  H      -1.129976      2.175904      8.462965
  H      -4.920778     -0.618377      8.081825
  H      -4.521486      0.958394      8.790860
  H      -2.796616     -0.837679      7.025058
  H      -2.391199     -0.151607      8.616081
  C       0.169500     -0.094245     -2.155864
  C      -1.330979     -0.172045     -2.047891
  O      -2.030079     -0.055241     -3.050401
  C      -1.995446     -0.391988     -0.709403
  C      -3.393019     -0.411068     -0.717745
  C      -4.149058     -0.603267      0.441147
  O      -5.489578     -0.618396      0.351256
  C      -3.475568     -0.765766      1.686598
  C      -4.263731     -0.949177      2.910910
  O      -5.501253     -1.094414      2.852686
  C      -3.601280     -1.023183      4.291047
  C      -2.068026     -0.759171      1.691491
  C      -1.325736     -0.580195      0.529927
  O       0.045538     -0.585332      0.572277
  C      -9.648836      9.326642      4.895621
  C      -9.610750      7.922482      4.353390
  O     -10.632017      7.477406      3.744620
  C      -8.444800      7.090884      4.554855
  C      -7.279299      7.560432      5.214595
  C      -6.185575      6.748685      5.434752
  O      -5.062298      7.213009      6.075798
  C      -6.202753      5.376371      5.022066
  C      -5.166763      4.446848      5.322114
  O      -5.360957      3.181153      5.078917
  C      -3.833069      4.758928      5.925974
  C      -7.362576      4.911517      4.342831
  C      -8.450966      5.732019      4.095639
  O      -9.526467      5.235269      3.449886
  C     -12.018284      6.323395      6.647154
  C     -10.688712      6.586516      7.320744
  O     -10.474450      7.702982      7.804239
  C      -9.650383      5.517481      7.419809
  C      -8.483772      5.868886      8.121641
  C      -7.426564      4.987879      8.305014
  O      -6.337195      5.402344      8.988825
  C      -7.496713      3.680181      7.730903
  C      -6.336582      2.804201      7.806609
  O      -5.329392      3.127606      8.485454
  C      -6.307167      1.495914      6.999812
  C      -8.665150      3.325667      7.030173
  C      -9.731881      4.203370      6.874502
  O     -10.798967      3.696313      6.183315
  H       0.567270      0.701265     -1.509738
  H       0.435337      0.093101     -3.201904
  H       0.631184     -1.029060     -1.806271
  H      -3.901211     -0.274059     -1.672817
  H      -5.811085     -0.820274      1.288057
  H      -4.446149     -1.189572      4.986158
  H      -2.988405     -1.945121      4.303837
  H      -1.535747     -0.902399      2.631935
  H       0.317848     -0.725253      1.497387
  H      -9.644877      9.301204      5.997476
  H      -8.778841      9.914620      4.568746
  H     -10.567918      9.816231      4.555194
  H      -7.247613      8.589959      5.577790
  H      -5.238923      8.122988      6.375756
  H      -3.290738      5.511447      5.322019
  H      -3.971170      5.220312      6.921327
  H      -7.401618      3.873483      4.016499
  H     -10.172786      6.029421      3.407485
  H     -11.883736      6.196969      5.557144
  H     -12.521949      5.437284      7.063761
  H     -12.661023      7.199158      6.791578
  H      -8.420090      6.876675      8.531706
  H      -5.718875      4.603296      8.981893
  H      -6.841849      1.656395      6.057874
  H      -6.875517      0.732172      7.566105
  H      -8.759886      2.345377      6.564586
  H     -11.363882      4.419688      5.859287
  N      -4.016058      1.980741      3.375030
  H      -4.711001      2.597738      2.957084
  H      -3.536062      1.410153      2.685049
95
Coordinates from ORCA-job orca E -6661.171274450593
  N      -2.780364      0.114804      4.722882
  Mo     -3.760887      1.829169      5.361061
  N      -4.950664      1.015734      6.739171
  C      -4.387271      0.326584      7.906041
  C      -2.915207      0.036359      7.683602
  N      -2.287244      1.188975      6.983025
  C      -1.053931      0.786210      6.275243
  C      -1.430649     -0.179281      5.151344
  C      -2.043145      2.341625      7.887285
  C      -1.959781      3.587339      7.024664
  N      -3.058251      3.518370      6.065758
  H      -0.677248     -0.068534      4.342131
  H      -1.352183     -1.228180      5.495341
  H      -0.594229      1.695790      5.868248
  H      -0.337941      0.326712      6.978847
  H      -2.062272      4.480448      7.661804
  H      -0.983256      3.673989      6.514996
  H      -2.914829      2.427358      8.547804
  H      -1.136069      2.171519      8.492933
  H      -4.923106     -0.623341      8.093593
  H      -4.525260      0.954199      8.802137
  H      -2.794356     -0.841855      7.041388
  H      -2.393151     -0.160883      8.635378
  C       0.111411     -0.047785     -2.187892
  C      -1.385117     -0.167799     -2.066372
  O      -2.095017     -0.083494     -3.064428
  C      -2.033217     -0.383989     -0.718968
  C      -3.429712     -0.435424     -0.715458
  C      -4.171778     -0.628542      0.452407
  O      -5.511858     -0.677111      0.372909
  C      -3.484436     -0.760278      1.694286
  C      -4.257997     -0.949556      2.927011
  O      -5.494157     -1.113385      2.880359
  C      -3.583506     -1.019271      4.301745
  C      -2.077345     -0.720721      1.687314
  C      -1.349328     -0.539554      0.516937
  O       0.022311     -0.513309      0.547079
  C      -9.632283      9.328084      4.880038
  C      -9.592473      7.922647      4.341535
  O     -10.612261      7.475623      3.731189
  C      -8.428317      7.090956      4.550054
  C      -7.264259      7.562441      5.211288
  C      -6.171565      6.751031      5.436722
  O      -5.049287      7.217156      6.078349
  C      -6.188257      5.376963      5.029009
  C      -5.153258      4.448681      5.334977
  O      -5.349988      3.181826      5.098363
  C      -3.819696      4.760027      5.940519
  C      -7.346921      4.910202      4.349251
  C      -8.434595      5.730119      4.097013
  O      -9.509871      5.230910      3.452650
  C     -12.010354      6.318497      6.607485
  C     -10.685860      6.578955      7.291320
  O     -10.475152      7.693190      7.780552
  C      -9.647390      5.509418      7.393969
  C      -8.488061      5.857582      8.108645
  C      -7.433083      4.975038      8.299453
  O      -6.350338      5.386193      8.995154
  C      -7.499532      3.669190      7.721002
  C      -6.340519      2.792213      7.805561
  O      -5.340895      3.114159      8.495747
  C      -6.303616      1.484348      6.999340
  C      -8.660224      3.318226      7.005995
  C      -9.723560      4.198237      6.840968
  O     -10.781814      3.697208      6.131976
  H       0.491170      0.766700     -1.554662
  H       0.363402      0.134366     -3.238291
  H       0.603467     -0.964109     -1.831134
  H      -3.948647     -0.324042     -1.668071
  H      -5.821437     -0.869578      1.316624
  H      -4.422204     -1.191262      5.002883
  H      -2.968249     -1.939948      4.304901
  H      -1.533659     -0.837604      2.624960
  H       0.304695     -0.631849      1.472245
  H      -9.630701      9.305644      5.982044
  H      -8.761760      9.915664      4.553854
  H     -10.550832      9.816295      4.536212
  H      -7.232515      8.593395      5.570341
  H      -5.226016      8.128671      6.373583
  H      -3.273836      5.509824      5.336656
  H      -3.959206      5.223592      6.934626
  H      -7.386247      3.870978      4.026774
  H     -10.156316      6.025143      3.407912
  H     -11.868031      6.193879      5.518309
  H     -12.518006      5.431812      7.018105
  H     -12.653281      7.194583      6.748939
  H      -8.427899      6.863484      8.523822
  H      -5.734064      4.585130      8.993921
  H      -6.833225      1.641822      6.054130
  H      -6.872407      0.718739      7.562731
  H      -8.750324      2.340036      6.535131
  H     -11.336751      4.424409      5.799202
  N      -4.007644      1.977746      3.391326
  H      -4.702830      2.595556      2.975594
  H      -3.522063      1.414521      2.699283
95
Coordinates from ORCA-job orca E -6661.171305384343
  N      -2.777802      0.111807      4.729872
  Mo     -3.759703      1.824257      5.375629
  N      -4.948298      1.009170      6.754126
  C      -4.384135      0.325122      7.924508
  C      -2.912847      0.031228      7.698699
  N      -2.284476      1.181939      6.995055
  C      -1.053150      0.777284      6.283995
  C      -1.434269     -0.194505      5.169195
  C      -2.036732      2.335034      7.897230
  C      -1.951472      3.580164      7.033822
  N      -3.051444      3.512890      6.076693
  H      -0.674190     -0.103153      4.363581
  H      -1.369790     -1.240698      5.525010
  H      -0.597687      1.685363      5.868625
  H      -0.332410      0.323512      6.986567
  H      -2.050701      4.473914      7.670591
  H      -0.975120      3.664103      6.523147
  H      -2.907562      2.422967      8.558747
  H      -1.129314      2.164133      8.502234
  H      -4.921701     -0.622539      8.117556
  H      -4.519063      0.957810      8.817487
  H      -2.795951     -0.848061      7.057318
  H      -2.387949     -0.166353      8.648905
  C       0.088972     -0.018614     -2.200881
  C      -1.405110     -0.162126     -2.076230
  O      -2.116703     -0.101713     -3.074920
  C      -2.049201     -0.370902     -0.725687
  C      -3.445029     -0.439721     -0.720041
  C      -4.183184     -0.631300      0.450625
  O      -5.522374     -0.699229      0.372880
  C      -3.492354     -0.744601      1.693050
  C      -4.260938     -0.939213      2.927417
  O      -5.497252     -1.107244      2.883621
  C      -3.582803     -1.018592      4.298810
  C      -2.085989     -0.685700      1.683914
  C      -1.362212     -0.505856      0.510794
  O       0.009563     -0.463698      0.537557
  C      -9.617701      9.332447      4.856754
  C      -9.575619      7.924590      4.324830
  O     -10.590313      7.477219      3.705431
  C      -8.414060      7.092694      4.543046
  C      -7.252397      7.563707      5.209255
  C      -6.162021      6.751169      5.441277
  O      -5.039800      7.217476      6.083538
  C      -6.180110      5.375248      5.039102
  C      -5.146810      4.447239      5.349995
  O      -5.347349      3.178926      5.121964
  C      -3.810228      4.756964      5.951451
  C      -7.336780      4.908826      4.355206
  C      -8.420607      5.730759      4.093434
  O      -9.492672      5.234039      3.441670
  C     -12.011908      6.305105      6.588885
  C     -10.689574      6.569975      7.274659
  O     -10.479823      7.686975      7.757060
  C      -9.649321      5.501656      7.383110
  C      -8.488162      5.857226      8.090396
  C      -7.431877      4.976758      8.286014
  O      -6.346678      5.395464      8.973046
  C      -7.501060      3.665345      7.720735
  C      -6.340917      2.789425      7.808735
  O      -5.341734      3.116260      8.496429
  C      -6.302922      1.475849      7.012051
  C      -8.664021      3.306720      7.013603
  C      -9.727987      4.185064      6.843422
  O     -10.790450      3.676581      6.146387
  H       0.455968      0.808209     -1.575942
  H       0.337234      0.157322     -3.253288
  H       0.596821     -0.922781     -1.835616
  H      -3.966404     -0.344689     -1.673175
  H      -5.828124     -0.882318      1.320855
  H      -4.418480     -1.198270      5.001443
  H      -2.965835     -1.938125      4.290253
  H      -1.540050     -0.786113      2.622484
  H       0.295517     -0.569491      1.463342
  H      -9.623219      9.315620      5.958844
  H      -8.744729      9.918530      4.534138
  H     -10.533652      9.819569      4.504377
  H      -7.219920      8.596101      5.564327
  H      -5.214808      8.131497      6.372151
  H      -3.263642      5.504263      5.345259
  H      -3.945548      5.223590      6.944840
  H      -7.376473      3.868971      4.034686
  H     -10.134579      6.031941      3.389042
  H     -11.866756      6.175950      5.500505
  H     -12.519130      5.418769      7.000885
  H     -12.656286      7.180975      6.724969
  H      -8.426686      6.867209      8.495551
  H      -5.729938      4.594372      8.976134
  H      -6.834017      1.623367      6.066047
  H      -6.869656      0.712978      7.581291
  H      -8.755820      2.323380      6.553816
  H     -11.345364      4.400590      5.806624
  N      -4.020526      1.974400      3.407550
  H      -4.724377      2.587641      2.999728
  H      -3.538126      1.415564      2.709573
95
Coordinates from ORCA-job orca E -6661.171327811604
  N      -2.779492      0.109515      4.730544
  Mo     -3.760353      1.821721      5.381172
  N      -4.945705      1.008080      6.763336
  C      -4.378432      0.327960      7.934078
  C      -2.908138      0.031944      7.703884
  N      -2.280845      1.179965      6.995646
  C      -1.052302      0.773235      6.280645
  C      -1.437909     -0.202461      5.171966
  C      -2.028303      2.334245      7.894888
  C      -1.943828      3.577964      7.029392
  N      -3.047564      3.510855      6.076968
  H      -0.676846     -0.121644      4.366216
  H      -1.379896     -1.246670      5.534879
  H      -0.600196      1.680332      5.859465
  H      -0.327439      0.323071      6.981215
  H      -2.038465      4.472710      7.665411
  H      -0.969471      3.659424      6.514496
  H      -2.897116      2.425355      8.558691
  H      -1.119630      2.162786      8.497821
  H      -4.915792     -0.618785      8.131823
  H      -4.509843      0.963478      8.825565
  H      -2.795211     -0.849189      7.064303
  H      -2.380401     -0.164372      8.652746
  C       0.078891     -0.004710     -2.196398
  C      -1.414371     -0.156939     -2.073720
  O      -2.123604     -0.117700     -3.075243
  C      -2.058859     -0.363306     -0.723380
  C      -3.454259     -0.444021     -0.718748
  C      -4.191927     -0.636383      0.452066
  O      -5.530615     -0.714953      0.373853
  C      -3.501060     -0.738775      1.695464
  C      -4.267554     -0.938763      2.929687
  O      -5.503174     -1.112787      2.886952
  C      -3.586034     -1.020269      4.298444
  C      -2.095564     -0.665824      1.687409
  C      -1.372257     -0.485335      0.514567
  O      -0.000988     -0.429196      0.542105
  C      -9.605675      9.337239      4.859169
  C      -9.565849      7.929773      4.326221
  O     -10.583636      7.482844      3.711611
  C      -8.405155      7.096640      4.543039
  C      -7.241124      7.566774      5.205637
  C      -6.152321      6.752660      5.438459
  O      -5.028387      7.217432      6.078918
  C      -6.174298      5.375615      5.041063
  C      -5.142997      4.446508      5.353847
  O      -5.346707      3.177542      5.132922
  C      -3.804143      4.755782      5.950535
  C      -7.333428      4.909506      4.360784
  C      -8.415546      5.733036      4.097726
  O      -9.490327      5.236156      3.450473
  C     -12.012653      6.296169      6.566714
  C     -10.693989      6.562126      7.259155
  O     -10.488912      7.677981      7.745755
  C      -9.653349      5.494377      7.372722
  C      -8.495255      5.852074      8.083417
  C      -7.438775      4.972911      8.284221
  O      -6.356329      5.394262      8.973978
  C      -7.505123      3.660626      7.721232
  C      -6.343936      2.786221      7.813695
  O      -5.346230      3.116356      8.501021
  C      -6.301655      1.470616      7.020140
  C      -8.665342      3.299682      7.011093
  C      -9.729397      4.176860      6.835128
  O     -10.788916      3.666349      6.135443
  H       0.438868      0.829711     -1.577546
  H       0.328485      0.163984     -3.249595
  H       0.591603     -0.902436     -1.822253
  H      -3.975537     -0.357854     -1.672707
  H      -5.835106     -0.894429      1.322981
  H      -4.419388     -1.203024      5.003194
  H      -2.967954     -1.938724      4.284855
  H      -1.550938     -0.754396      2.627863
  H       0.286303     -0.527326      1.468260
  H      -9.607489      9.320262      5.961127
  H      -8.733712      9.923298      4.534025
  H     -10.522576      9.824826      4.510009
  H      -7.206120      8.600019      5.557925
  H      -5.200591      8.132781      6.364852
  H      -3.258265      5.500424      5.340333
  H      -3.935149      5.226119      6.942799
  H      -7.376402      3.868485      4.044774
  H     -10.130671      6.035555      3.396303
  H     -11.861635      6.170088      5.478830
  H     -12.519686      5.407551      6.973634
  H     -12.659531      7.170282      6.701722
  H      -8.435972      6.862816      8.486832
  H      -5.738734      4.593954      8.980324
  H      -6.833395      1.612731      6.073632
  H      -6.866022      0.707625      7.591409
  H      -8.754514      2.315425      6.552871
  H     -11.341664      4.389176      5.789849
  N      -4.027278      1.970929      3.413089
  H      -4.729900      2.586943      3.006813
  H      -3.542910      1.416140      2.713145
95
Coordinates from ORCA-job orca E -6661.171345456200
  N      -2.768994      0.104055      4.741790
  Mo     -3.757838      1.810250      5.400777
  N      -4.943025      0.994302      6.781993
  C      -4.375306      0.318672      7.954371
  C      -2.905468      0.022649      7.724134
  N      -2.278575      1.169844      7.015185
  C      -1.049403      0.763989      6.300718
  C      -1.433405     -0.216306      5.197123
  C      -2.026730      2.325225      7.913281
  C      -1.939080      3.567442      7.046084
  N      -3.041907      3.500084      6.092751
  H      -0.664352     -0.149538      4.397536
  H      -1.387262     -1.257766      5.569367
  H      -0.601620      1.671215      5.875136
  H      -0.321615      0.319419      7.001746
  H      -2.032833      4.463063      7.681017
  H      -0.964213      3.647187      6.531947
  H      -2.897238      2.419335      8.574515
  H      -1.120093      2.153421      8.519179
  H      -4.911700     -0.628005      8.155008
  H      -4.506434      0.956415      8.844342
  H      -2.793966     -0.859268      7.085228
  H      -2.377985     -0.173611      8.673129
  C       0.020518      0.076950     -2.209742
  C      -1.465844     -0.126933     -2.079106
  O      -2.180516     -0.120813     -3.077599
  C      -2.097639     -0.336596     -0.723607
  C      -3.490187     -0.458141     -0.710651
  C      -4.216169     -0.659761      0.465915
  O      -5.552713     -0.776194      0.396400
  C      -3.516193     -0.731440      1.706052
  C      -4.269438     -0.946834      2.945673
  O      -5.500623     -1.150210      2.910996
  C      -3.574608     -1.026426      4.307555
  C      -2.113852     -0.614874      1.689993
  C      -1.401938     -0.423705      0.512314
  O      -0.033340     -0.321812      0.532663
  C      -9.577680      9.340032      4.824484
  C      -9.541248      7.929084      4.300474
  O     -10.558913      7.482205      3.685547
  C      -8.383948      7.093875      4.525487
  C      -7.219249      7.564194      5.186844
  C      -6.134631      6.747566      5.429249
  O      -5.010741      7.211977      6.070261
  C      -6.161351      5.367439      5.043322
  C      -5.135039      4.436878      5.365990
  O      -5.344137      3.166238      5.159648
  C      -3.794591      4.746304      5.959353
  C      -7.321569      4.900359      4.364835
  C      -8.399081      5.726321      4.091812
  O      -9.475050      5.228663      3.446758
  C     -11.998305      6.293307      6.527624
  C     -10.682100      6.558335      7.225101
  O     -10.475798      7.675249      7.708275
  C      -9.644785      5.487721      7.347486
  C      -8.489054      5.846035      8.060983
  C      -7.436814      4.964368      8.273133
  O      -6.356525      5.387159      8.965409
  C      -7.505295      3.648797      7.718844
  C      -6.347549      2.770776      7.823625
  O      -5.352114      3.102762      8.512249
  C      -6.300885      1.452206      7.034630
  C      -8.662470      3.287811      7.004197
  C      -9.722605      4.167546      6.816709
  O     -10.779281      3.656840      6.113167
  H       0.353709      0.928198     -1.598900
  H       0.259553      0.245883     -3.265280
  H       0.565398     -0.799611     -1.830890
  H      -4.018653     -0.396985     -1.662533
  H      -5.846248     -0.953224      1.349220
  H      -4.400539     -1.220469      5.018477
  H      -2.951718     -1.941154      4.281045
  H      -1.564305     -0.672229      2.629699
  H       0.262074     -0.400483      1.458023
  H      -9.580856      9.330475      5.926387
  H      -8.703752      9.921607      4.496648
  H     -10.492638      9.828122      4.471005
  H      -7.181100      8.600089      5.530964
  H      -5.179144      8.130796      6.347077
  H      -3.247412      5.485405      5.343477
  H      -3.922401      5.223930      6.948589
  H      -7.368586      3.856681      4.058493
  H     -10.110711      6.031534      3.382548
  H     -11.841644      6.160715      5.441406
  H     -12.510145      5.408593      6.936702
  H     -12.642848      7.170303      6.654411
  H      -8.428324      6.859019      8.458371
  H      -5.741253      4.585393      8.979660
  H      -6.832136      1.587491      6.086859
  H      -6.862935      0.689813      7.608730
  H      -8.752132      2.301110      6.551361
  H     -11.324246      4.379472      5.755169
  N      -4.037927      1.955746      3.434115
  H      -4.743587      2.570106      3.030512
  H      -3.542990      1.413949      2.731624
95
Coordinates from ORCA-job orca E -6661.171351080540
  N      -2.776315      0.113267      4.730438
  Mo     -3.763769      1.818558      5.397934
  N      -4.944961      0.998839      6.780136
  C      -4.373931      0.322822      7.950332
  C      -2.905131      0.026854      7.715307
  N      -2.280494      1.174984      7.005707
  C      -1.053592      0.770271      6.286121
  C      -1.440961     -0.210406      5.184499
  C      -2.025312      2.328924      7.905119
  C      -1.940167      3.572644      7.039943
  N      -3.046696      3.507586      6.090882
  H      -0.672830     -0.148295      4.383678
  H      -1.397832     -1.251225      5.559135
  H      -0.608978      1.678127      5.858480
  H      -0.322320      0.326682      6.984146
  H      -2.030839      4.467137      7.676997
  H      -0.967317      3.652669      6.522071
  H      -2.893622      2.422523      8.569326
  H      -1.117020      2.155448      8.508055
  H      -4.909742     -0.623961      8.152308
  H      -4.502123      0.960244      8.841003
  H      -2.796315     -0.854362      7.074890
  H      -2.374756     -0.170694      8.662411
  C       0.054294      0.029740     -2.209595
  C      -1.434058     -0.163742     -2.085024
  O      -2.143707     -0.159919     -3.087153
  C      -2.074199     -0.360187     -0.731492
  C      -3.467607     -0.472111     -0.725090
  C      -4.201328     -0.661653      0.448705
  O      -5.538437     -0.769552      0.372707
  C      -3.508500     -0.731414      1.692846
  C      -4.269777     -0.936230      2.929741
  O      -5.501964     -1.131755      2.889664
  C      -3.581754     -1.016810      4.294961
  C      -2.105158     -0.624985      1.683563
  C      -1.385610     -0.444974      0.508729
  O      -0.016639     -0.351978      0.535973
  C      -9.588536      9.345876      4.838412
  C      -9.551776      7.934847      4.314345
  O     -10.569217      7.487975      3.699041
  C      -8.393558      7.100479      4.537627
  C      -7.228635      7.570846      5.198619
  C      -6.143170      6.754797      5.439270
  O      -5.019200      7.219287      6.080093
  C      -6.168817      5.375160      5.051196
  C      -5.141571      4.444693      5.370912
  O      -5.351094      3.174000      5.164326
  C      -3.799708      4.753726      5.961259
  C      -7.329477      4.907921      4.373378
  C      -8.407927      5.733325      4.102548
  O      -9.484035      5.235667      3.457578
  C     -12.005366      6.294111      6.545755
  C     -10.687482      6.558860      7.240145
  O     -10.480048      7.675374      7.723678
  C      -9.648906      5.488705      7.357773
  C      -8.492920      5.845942      8.071256
  C      -7.440127      4.964236      8.280626
  O      -6.359980      5.385736      8.973935
  C      -7.508096      3.650075      7.723012
  C      -6.349697      2.772666      7.825131
  O      -5.354712      3.102994      8.515232
  C      -6.302890      1.454718      7.034978
  C      -8.665098      3.290542      7.007422
  C      -9.725771      4.170222      6.822508
  O     -10.781503      3.661397      6.116069
  H       0.390504      0.882245     -1.602233
  H       0.299357      0.190676     -3.265022
  H       0.591107     -0.848485     -1.822979
  H      -3.990653     -0.413196     -1.680124
  H      -5.838008     -0.941201      1.324502
  H      -4.410338     -1.209148      5.003201
  H      -2.959577     -1.932170      4.271844
  H      -1.561893     -0.679067      2.627213
  H       0.273556     -0.429323      1.463054
  H      -9.591834      9.336527      5.940341
  H      -8.714700      9.927596      4.510485
  H     -10.503563      9.833871      4.484923
  H      -7.191013      8.606443      5.543787
  H      -5.188395      8.137294      6.359181
  H      -3.254543      5.493466      5.344272
  H      -3.924247      5.230266      6.951419
  H      -7.375897      3.864596      4.065683
  H     -10.120586      6.038102      3.395346
  H     -11.850824      6.163436      5.459015
  H     -12.515470      5.408321      6.954667
  H     -12.650156      7.170513      6.675452
  H      -8.432801      6.857708      8.471887
  H      -5.744000      4.584435      8.985459
  H      -6.835487      1.590089      6.087931
  H      -6.863285      0.691146      7.609211
  H      -8.753894      2.305201      6.551339
  H     -11.324899      4.385007      5.757628
  N      -4.045469      1.969334      3.431939
  H      -4.751884      2.584942      3.031881
  H      -3.552211      1.429741      2.726800
95
Coordinates from ORCA-job orca E -6661.171357583647
  N      -2.770916      0.108409      4.737282
  Mo     -3.761773      1.811721      5.407619
  N      -4.942400      0.992246      6.790051
  C      -4.371808      0.318028      7.961435
  C      -2.903325      0.021431      7.726458
  N      -2.278849      1.169102      7.015811
  C      -1.051337      0.763897      6.297264
  C      -1.438107     -0.218656      5.197546
  C      -2.023982      2.323968      7.914373
  C      -1.936758      3.566493      7.047684
  N      -3.042476      3.501319      6.097621
  H      -0.666797     -0.161995      4.399288
  H      -1.399821     -1.258334      5.575741
  H      -0.607224      1.671218      5.867927
  H      -0.320059      0.321906      6.996365
  H      -2.027442      4.461934      7.683502
  H      -0.963269      3.645031      6.530762
  H      -2.893134      2.419024      8.577258
  H      -1.116682      2.150219      8.518725
  H      -4.907860     -0.628347      8.164861
  H      -4.499892      0.956863      8.851151
  H      -2.795412     -0.860094      7.086275
  H      -2.372668     -0.175913      8.673451
  C       0.023489      0.072461     -2.215881
  C      -1.462426     -0.135940     -2.085309
  O      -2.175864     -0.141047     -3.084722
  C      -2.095336     -0.338527     -0.729133
  C      -3.487417     -0.464097     -0.717453
  C      -4.215082     -0.660960      0.458974
  O      -5.551422     -0.781520      0.387158
  C      -3.516892     -0.725852      1.700406
  C      -4.271240     -0.940833      2.940506
  O      -5.501957     -1.145541      2.905468
  C      -3.577137     -1.021471      4.303044
  C      -2.114580     -0.605839      1.685880
  C      -1.401158     -0.417330      0.508455
  O      -0.033143     -0.311455      0.530748
  C      -9.575591      9.344633      4.818255
  C      -9.539468      7.932182      4.297787
  O     -10.556235      7.485074      3.681397
  C      -8.383081      7.096741      4.526717
  C      -7.218708      7.567988      5.188289
  C      -6.134642      6.751464      5.433708
  O      -5.010879      7.217183      6.074055
  C      -6.161217      5.370277      5.050603
  C      -5.135838      4.439582      5.375168
  O      -5.348477      3.167823      5.176457
  C      -3.792985      4.748557      5.963569
  C      -7.321437      4.902088      4.372382
  C      -8.398273      5.727992      4.096613
  O      -9.473803      5.229477      3.451108
  C     -11.999636      6.288465      6.525948
  C     -10.682815      6.556108      7.221075
  O     -10.477077      7.673383      7.703521
  C      -9.644675      5.485939      7.344290
  C      -8.489753      5.845099      8.058458
  C      -7.438359      4.963029      8.273694
  O      -6.359523      5.386114      8.968041
  C      -7.506381      3.646698      7.721090
  C      -6.348526      2.769168      7.827952
  O      -5.356305      3.099715      8.521982
  C      -6.300912      1.447907      7.043217
  C      -8.662449      3.285283      7.004949
  C      -9.721878      4.165277      6.814486
  O     -10.777296      3.654386      6.108872
  H       0.353956      0.928420     -1.610271
  H       0.262483      0.235186     -3.272474
  H       0.570272     -0.800547     -1.831233
  H      -4.014580     -0.410212     -1.670576
  H      -5.846568     -0.956849      1.339639
  H      -4.402425     -1.216984      5.014284
  H      -2.954467     -1.936522      4.275114
  H      -1.567689     -0.654519      2.627816
  H       0.261034     -0.388473      1.456647
  H      -9.581555      9.337825      5.920262
  H      -8.700120      9.924240      4.490787
  H     -10.489126      9.833110      4.461490
  H      -7.180234      8.604949      5.529383
  H      -5.179055      8.136664      6.348964
  H      -3.246682      5.484272      5.342766
  H      -3.915589      5.229431      6.951871
  H      -7.368518      3.857785      4.067988
  H     -10.109133      6.032722      3.384889
  H     -11.843658      6.156832      5.439531
  H     -12.508344      5.402133      6.935531
  H     -12.646008      7.163989      6.653956
  H      -8.429477      6.858385      8.455319
  H      -5.744671      4.584011      8.985063
  H      -6.833732      1.579260      6.095805
  H      -6.860019      0.685923      7.620906
  H      -8.751250      2.298132      6.552673
  H     -11.318101      4.377097      5.744589
  N      -4.048379      1.958736      3.441829
  H      -4.757481      2.570719      3.041438
  H      -3.552398      1.420746      2.737420
95
Coordinates from ORCA-job orca E -6661.171361654865
  N      -2.774407      0.105984      4.736483
  Mo     -3.765414      1.809463      5.407597
  N      -4.943718      0.991547      6.792638
  C      -4.371017      0.318053      7.963383
  C      -2.902767      0.021459      7.726409
  N      -2.279594      1.168647      7.013696
  C      -1.052932      0.763221      6.293884
  C      -1.440728     -0.220131      5.195300
  C      -2.023449      2.324164      7.911129
  C      -1.937538      3.565930      7.043284
  N      -3.044437      3.499596      6.094734
  H      -0.670703     -0.163210      4.395917
  H      -1.401341     -1.259648      5.573868
  H      -0.609689      1.670323      5.863205
  H      -0.320659      0.322083      6.992479
  H      -2.027863      4.461939      7.678367
  H      -0.964704      3.644459      6.525133
  H      -2.891752      2.419667      8.575061
  H      -1.115456      2.150540      8.514435
  H      -4.906504     -0.628340      8.168278
  H      -4.497924      0.957298      8.852992
  H      -2.795618     -0.860626      7.086944
  H      -2.370797     -0.174784      8.672884
  C       0.031019      0.076012     -2.209765
  C      -1.455789     -0.127854     -2.081981
  O      -2.168299     -0.124015     -3.082008
  C      -2.090820     -0.333925     -0.727302
  C      -3.483292     -0.454500     -0.717377
  C      -4.212640     -0.653786      0.457551
  O      -5.549370     -0.769466      0.383900
  C      -3.515892     -0.725813      1.699233
  C      -4.272481     -0.942606      2.937895
  O      -5.503258     -1.145670      2.900450
  C      -3.580691     -1.023536      4.301772
  C      -2.113129     -0.611212      1.686511
  C      -1.397910     -0.420613      0.510424
  O      -0.029574     -0.320242      0.534325
  C      -9.576143      9.343730      4.814121
  C      -9.541314      7.930524      4.295627
  O     -10.559836      7.482159      3.683109
  C      -8.385040      7.094915      4.524349
  C      -7.219229      7.566938      5.182872
  C      -6.135252      6.750249      5.428156
  O      -5.010069      7.216707      6.065374
  C      -6.163484      5.368204      5.048377
  C      -5.138400      4.437473      5.373625
  O      -5.352506      3.165373      5.178115
  C      -3.794253      4.747023      5.958788
  C      -7.325091      4.899328      4.373021
  C      -8.401820      5.725339      4.097255
  O      -9.478921      5.226061      3.454895
  C     -11.998132      6.290391      6.530123
  C     -10.680405      6.558345      7.223357
  O     -10.472919      7.676568      7.702845
  C      -9.642944      5.487667      7.347256
  C      -8.486743      5.847117      8.059298
  C      -7.435807      4.964549      8.274616
  O      -6.355637      5.387937      8.966658
  C      -7.505548      3.647232      7.724449
  C      -6.348436      2.768847      7.831816
  O      -5.354605      3.100552      8.523061
  C      -6.301911      1.447148      7.047921
  C      -8.662999      3.285522      7.010662
  C      -9.721906      4.166075      6.820121
  O     -10.778965      3.654548      6.117373
  H       0.364008      0.927706     -1.599576
  H       0.271722      0.242999     -3.265299
  H       0.574013     -0.801008     -1.828916
  H      -4.009382     -0.394953     -1.670750
  H      -5.846287     -0.948848      1.334810
  H      -4.407407     -1.218026      5.011567
  H      -2.958992     -1.939356      4.275748
  H      -1.567293     -0.666893      2.628679
  H       0.263482     -0.403931      1.460020
  H      -9.579980      9.338360      5.916167
  H      -8.701164      9.922538      4.483998
  H     -10.490246      9.831939      4.458487
  H      -7.179475      8.604587      5.521632
  H      -5.177193      8.136800      6.338800
  H      -3.248723      5.480549      5.334667
  H      -3.914416      5.230689      6.946025
  H      -7.373290      3.854391      4.071049
  H     -10.113965      6.029359      3.388208
  H     -11.843541      6.157786      5.443631
  H     -12.506374      5.404554      6.941277
  H     -12.644109      7.166201      6.658132
  H      -8.425087      6.861092      8.454136
  H      -5.741301      4.585499      8.984252
  H      -6.836598      1.577810      6.101509
  H      -6.859366      0.685513      7.627618
  H      -8.753409      2.297624      6.560435
  H     -11.319617      4.376942      5.752250
  N      -4.057185      1.955067      3.442811
  H      -4.767465      2.566543      3.043546
  H      -3.561795      1.417144      2.737795
95
Coordinates from ORCA-job orca E -6661.171364513802
  N      -2.775869      0.104903      4.737149
  Mo     -3.768751      1.806928      5.412174
  N      -4.944607      0.988085      6.798636
  C      -4.369630      0.315942      7.969013
  C      -2.901738      0.019626      7.729675
  N      -2.280102      1.166975      7.015658
  C      -1.054242      0.762059      6.294067
  C      -1.443001     -0.222755      5.197758
  C      -2.022637      2.322685      7.912576
  C      -1.938121      3.564399      7.044463
  N      -3.045987      3.497274      6.097280
  H      -0.672411     -0.169041      4.398703
  H      -1.405583     -1.261517      5.578664
  H      -0.613102      1.669145      5.861168
  H      -0.320081      0.322874      6.991889
  H      -2.028458      4.460509      7.679427
  H      -0.965750      3.643495      6.525479
  H      -2.890002      2.418205      8.577760
  H      -1.113890      2.148806      8.514642
  H      -4.904371     -0.630460      8.175807
  H      -4.495297      0.955900      8.858303
  H      -2.795443     -0.862534      7.090193
  H      -2.368310     -0.176261      8.675400
  C       0.029091      0.087862     -2.209533
  C      -1.457445     -0.118518     -2.082255
  O      -2.169452     -0.117033     -3.082583
  C      -2.092278     -0.327063     -0.727811
  C      -3.484464     -0.450278     -0.718136
  C      -4.213451     -0.652021      0.456563
  O      -5.549926     -0.770272      0.382499
  C      -3.516737     -0.723580      1.698138
  C      -4.273260     -0.943216      2.936560
  O      -5.503277     -1.150027      2.898244
  C      -3.581846     -1.024167      4.300666
  C      -2.114245     -0.606021      1.685773
  C      -1.399235     -0.413279      0.509844
  O      -0.031138     -0.309913      0.534089
  C      -9.572847      9.343785      4.803361
  C      -9.539998      7.928747      4.289755
  O     -10.559065      7.479745      3.678480
  C      -8.384318      7.092907      4.519979
  C      -7.217522      7.565985      5.176197
  C      -6.134146      6.749089      5.423256
  O      -5.008061      7.216423      6.058274
  C      -6.164070      5.365732      5.048399
  C      -5.139883      4.435247      5.376452
  O      -5.356468      3.162351      5.187390
  C      -3.794087      4.745442      5.957836
  C      -7.326728      4.895792      4.375481
  C      -8.402664      5.721994      4.097448
  O      -9.480726      5.221684      3.457340
  C     -11.994433      6.292507      6.529375
  C     -10.675604      6.560152      7.220448
  O     -10.465671      7.679162      7.696792
  C      -9.639454      5.488134      7.345846
  C      -8.482568      5.847383      8.056722
  C      -7.433117      4.963486      8.274107
  O      -6.352180      5.386837      8.964789
  C      -7.505255      3.644864      7.727364
  C      -6.349712      2.764586      7.837595
  O      -5.355909      3.096588      8.528567
  C      -6.303230      1.442026      7.055354
  C      -8.663167      3.283567      7.014222
  C      -9.720459      4.165571      6.821469
  O     -10.778181      3.654286      6.119479
  H       0.360765      0.939785     -1.598984
  H       0.269743      0.255443     -3.264984
  H       0.573182     -0.788595     -1.828958
  H      -4.010581     -0.391161     -1.671523
  H      -5.846814     -0.951432      1.332891
  H      -4.408839     -1.220078      5.009758
  H      -2.960265     -1.940115      4.273954
  H      -1.568608     -0.661497      2.628028
  H       0.261911     -0.395539      1.459632
  H      -9.576349      9.342025      5.905424
  H      -8.697231      9.920288      4.470935
  H     -10.486431      9.831983      4.446390
  H      -7.176545      8.604632      5.511692
  H      -5.173889      8.137687      6.328455
  H      -3.248819      5.475352      5.329222
  H      -3.911188      5.233640      6.943213
  H      -7.376090      3.849886      4.077118
  H     -10.114580      6.025637      3.387615
  H     -11.841311      6.158564      5.442839
  H     -12.502661      5.407512      6.942249
  H     -12.639448      7.169048      6.657181
  H      -8.419203      6.862173      8.449160
  H      -5.739242      4.583406      8.984613
  H      -6.839816      1.570375      6.109764
  H      -6.858055      0.680585      7.637762
  H      -8.755307      2.294794      6.566315
  H     -11.315946      4.376844      5.750462
  N      -4.066632      1.951807      3.448558
  H      -4.778674      2.562506      3.051051
  H      -3.568389      1.418266      2.742123
95
Coordinates from ORCA-job orca E -6661.171367024650
  N      -2.779553      0.103513      4.737597
  Mo     -3.773083      1.804507      5.418256
  N      -4.944533      0.984596      6.807552
  C      -4.365717      0.314415      7.977117
  C      -2.898692      0.017769      7.733052
  N      -2.279445      1.164976      7.016505
  C      -1.055614      0.760146      6.291010
  C      -1.447278     -0.226529      5.198166
  C      -2.018557      2.320739      7.912506
  C      -1.936988      3.562680      7.044279
  N      -3.047203      3.494863      6.100282
  H      -0.677269     -0.177319      4.398228
  H      -1.412111     -1.264273      5.582192
  H      -0.617411      1.667048      5.854717
  H      -0.318363      0.323165      6.986918
  H      -2.026500      4.458739      7.679471
  H      -0.965798      3.642494      6.523070
  H      -2.883414      2.416263      8.580977
  H      -1.107746      2.146320      8.511243
  H      -4.899685     -0.631688      8.187243
  H      -4.488549      0.955717      8.865836
  H      -2.794679     -0.864529      7.093390
  H      -2.362221     -0.177814      8.677107
  C       0.026543      0.101599     -2.207112
  C      -1.459733     -0.107516     -2.080846
  O      -2.171328     -0.105057     -3.081406
  C      -2.094801     -0.318698     -0.726885
  C      -3.486853     -0.443260     -0.717867
  C      -4.215857     -0.647800      0.456302
  O      -5.552170     -0.767460      0.381611
  C      -3.519492     -0.720356      1.697817
  C      -4.276416     -0.943103      2.935564
  O      -5.505832     -1.152945      2.895960
  C      -3.585892     -1.024776      4.299940
  C      -2.117218     -0.600868      1.686272
  C      -1.401982     -0.405866      0.510788
  O      -0.034016     -0.300617      0.535879
  C      -9.567877      9.345162      4.791441
  C      -9.536993      7.928178      4.283068
  O     -10.557141      7.477979      3.674329
  C      -8.382235      7.091924      4.515530
  C      -7.214032      7.566158      5.168685
  C      -6.131571      6.748814      5.417931
  O      -5.004079      7.217151      6.049774
  C      -6.163924      5.363719      5.049440
  C      -5.140806      4.433539      5.380779
  O      -5.361022      3.159569      5.200979
  C      -3.792340      4.744315      5.956082
  C      -7.328153      4.892648      4.379901
  C      -8.402936      5.719308      4.099099
  O      -9.482548      5.217930      3.462208
  C     -11.991358      6.291054      6.523786
  C     -10.672370      6.559340      7.214011
  O     -10.460699      7.679518      7.686444
  C      -9.637129      5.486412      7.342563
  C      -8.480473      5.846422      8.053102
  C      -7.432287      4.961784      8.274148
  O      -6.351694      5.385909      8.964590
  C      -7.505677      3.641646      7.731345
  C      -6.350977      2.760356      7.845120
  O      -5.358607      3.092944      8.537504
  C      -6.303836      1.435823      7.066521
  C      -8.663223      3.279743      7.018156
  C      -9.719094      4.162607      6.821613
  O     -10.776478      3.650860      6.119329
  H       0.356974      0.952582     -1.594632
  H       0.267250      0.271672     -3.262150
  H       0.571614     -0.775053     -1.828435
  H      -4.012762     -0.383316     -1.671306
  H      -5.849175     -0.950851      1.331329
  H      -4.413334     -1.221404      5.008332
  H      -2.964970     -1.941218      4.272845
  H      -1.571977     -0.657249      2.628664
  H       0.258696     -0.389798      1.461189
  H      -9.571059      9.347221      5.893481
  H      -8.691656      9.919285      4.456604
  H     -10.480970      9.833215      4.433044
  H      -7.171216      8.606089      5.499858
  H      -5.167925      8.140036      6.315523
  H      -3.247451      5.468646      5.320676
  H      -3.904392      5.239211      6.938677
  H      -7.379336      3.845511      4.086261
  H     -10.114861      6.022720      3.389166
  H     -11.838468      6.157048      5.437233
  H     -12.498815      5.405820      6.936894
  H     -12.636508      7.167487      6.651587
  H      -8.416288      6.862213      8.442768
  H      -5.740219      4.581494      8.988641
  H      -6.843275      1.559809      6.122037
  H      -6.854506      0.674819      7.653380
  H      -8.756139      2.289874      6.572859
  H     -11.310201      4.373168      5.744055
  N      -4.076749      1.949103      3.455505
  H      -4.790534      2.558786      3.059470
  H      -3.576623      1.418800      2.747916
95
Coordinates from ORCA-job orca E -6661.171370468427
  N      -2.781435      0.103748      4.737507
  Mo     -3.776776      1.802584      5.424243
  N      -4.944671      0.980153      6.814950
  C      -4.362937      0.310768      7.983568
  C      -2.896553      0.014731      7.735741
  N      -2.279504      1.162831      7.018647
  C      -1.056796      0.759324      6.290370
  C      -1.449649     -0.227586      5.198475
  C      -2.017137      2.318091      7.914854
  C      -1.937974      3.560967      7.047635
  N      -3.048807      3.492616      6.104616
  H      -0.679578     -0.179850      4.398428
  H      -1.415425     -1.265130      5.583251
  H      -0.620764      1.666768      5.852954
  H      -0.317514      0.323282      6.984713
  H      -2.028338      4.456347      7.683720
  H      -0.967064      3.642557      6.526041
  H      -2.880319      2.412509      8.585667
  H      -1.104791      2.143596      8.511225
  H      -4.896079     -0.635393      8.195448
  H      -4.483822      0.952440      8.872286
  H      -2.793890     -0.866836      7.094855
  H      -2.357675     -0.181586      8.678287
  C       0.022259      0.115692     -2.206317
  C      -1.463614     -0.096414     -2.080222
  O      -2.175047     -0.095486     -3.080878
  C      -2.098261     -0.310341     -0.726438
  C      -3.490021     -0.438429     -0.717732
  C      -4.218511     -0.646410      0.456175
  O      -5.554417     -0.770232      0.381055
  C      -3.522031     -0.718143      1.697699
  C      -4.278324     -0.944138      2.935337
  O      -5.506845     -1.159176      2.895275
  C      -3.587605     -1.024397      4.299703
  C      -2.120203     -0.594906      1.686381
  C      -1.405343     -0.397150      0.511114
  O      -0.037529     -0.288754      0.536546
  C      -9.562433      9.347144      4.778170
  C      -9.533508      7.928399      4.274546
  O     -10.554644      7.477402      3.667909
  C      -8.380111      7.091305      4.510214
  C      -7.210708      7.566508      5.160721
  C      -6.129483      6.748575      5.412934
  O      -5.000570      7.218025      6.041547
  C      -6.164341      5.361634      5.051162
  C      -5.142264      4.431760      5.385831
  O      -5.365873      3.156789      5.215072
  C      -3.791092      4.743215      5.955176
  C      -7.329951      4.889514      4.384611
  C      -8.403296      5.716784      4.100322
  O      -9.484171      5.214320      3.466163
  C     -11.987289      6.289941      6.519695
  C     -10.667406      6.559149      7.207599
  O     -10.454161      7.680196      7.676886
  C      -9.633201      5.485123      7.339020
  C      -8.476578      5.845521      8.049051
  C      -7.429798      4.959854      8.273485
  O      -6.349188      5.384505      8.963387
  C      -7.505089      3.638281      7.734604
  C      -6.351755      2.755215      7.851979
  O      -5.360612      3.087655      8.545725
  C      -6.304488      1.429114      7.076211
  C      -8.662459      3.276159      7.021522
  C      -9.716699      4.160197      6.821410
  O     -10.774109      3.648453      6.119048
  H       0.351134      0.966777     -1.593163
  H       0.262682      0.287019     -3.261223
  H       0.569007     -0.760274     -1.828460
  H      -4.016014     -0.378836     -1.671136
  H      -5.850824     -0.956370      1.330443
  H      -4.415236     -1.221527      5.007805
  H      -2.966978     -1.941106      4.272557
  H      -1.574620     -0.651278      2.628556
  H       0.255187     -0.379639      1.461677
  H      -9.565930      9.352697      5.880182
  H      -8.685306      9.918886      4.441706
  H     -10.474752      9.835301      4.417937
  H      -7.165833      8.607870      5.487087
  H      -5.162346      8.142728      6.302215
  H      -3.246515      5.461931      5.313115
  H      -3.898378      5.244885      6.934795
  H      -7.383113      3.841102      4.095911
  H     -10.114863      6.020064      3.389429
  H     -11.835832      6.156290      5.432917
  H     -12.493231      5.404058      6.933132
  H     -12.632773      7.165978      6.648535
  H      -8.411176      6.862271      8.436026
  H      -5.739274      4.578974      8.990993
  H      -6.846457      1.549456      6.132745
  H      -6.851504      0.668393      7.666756
  H      -8.756556      2.285226      6.578812
  H     -11.303427      4.370698      5.737457
  N      -4.087842      1.947713      3.462827
  H      -4.803714      2.556489      3.069363
  H      -3.587132      1.420448      2.753500
95
Coordinates from ORCA-job orca E -6661.171374357407
  N      -2.784887      0.102896      4.739190
  Mo     -3.781303      1.799616      5.432461
  N      -4.944542      0.973533      6.825016
  C      -4.358740      0.305047      7.992251
  C      -2.893180      0.010018      7.739425
  N      -2.279033      1.159346      7.021832
  C      -1.058033      0.757768      6.289467
  C      -1.452745     -0.228931      5.198101
  C      -2.014653      2.313783      7.918339
  C      -1.939289      3.558208      7.052783
  N      -3.050553      3.488945      6.110720
  H      -0.683581     -0.181263      4.397028
  H      -1.417847     -1.266604      5.582661
  H      -0.624766      1.666185      5.851225
  H      -0.315993      0.322397      6.981304
  H      -2.031348      4.452390      7.690401
  H      -0.968599      3.642775      6.531007
  H      -2.875066      2.406286      8.592968
  H      -1.099745      2.139688      8.510913
  H      -4.890688     -0.641279      8.206246
  H      -4.477051      0.947141      8.881028
  H      -2.792192     -0.870513      7.096829
  H      -2.351043     -0.187410      8.679903
  C       0.013971      0.137700     -2.203194
  C      -1.471428     -0.077423     -2.077086
  O      -2.183236     -0.075162     -3.077503
  C      -2.105196     -0.296184     -0.723656
  C      -3.496698     -0.428093     -0.715054
  C      -4.224214     -0.641676      0.458508
  O      -5.559678     -0.770065      0.383452
  C      -3.527115     -0.714377      1.699845
  C      -4.282117     -0.945675      2.937150
  O      -5.509961     -1.165374      2.896876
  C      -3.591209     -1.024932      4.301355
  C      -2.125794     -0.587056      1.688392
  C      -1.411851     -0.384580      0.513404
  O      -0.044099     -0.273127      0.538750
  C      -9.554506      9.348937      4.758345
  C      -9.528536      7.927250      4.262787
  O     -10.551042      7.474955      3.659176
  C      -8.376489      7.089570      4.501948
  C      -7.205103      7.566419      5.147958
  C      -6.125410      6.747900      5.404087
  O      -4.994472      7.219044      6.028060
  C      -6.163688      5.358327      5.051977
  C      -5.143013      4.429048      5.391374
  O      -5.371287      3.152687      5.233883
  C      -3.788125      4.741284      5.952486
  C      -7.331383      4.884527      4.390098
  C      -8.402992      5.712389      4.101243
  O      -9.485846      5.208197      3.471458
  C     -11.981891      6.287576      6.513714
  C     -10.660458      6.558181      7.197708
  O     -10.444669      7.680618      7.661908
  C      -9.627651      5.482555      7.333174
  C      -8.471245      5.843599      8.042604
  C      -7.426361      4.956586      8.271951
  O      -6.345827      5.382050      8.961273
  C      -7.504304      3.633150      7.738553
  C      -6.352529      2.747816      7.860729
  O      -5.363170      3.080348      8.556172
  C      -6.305023      1.419293      7.089394
  C      -8.661301      3.270478      7.025655
  C      -9.713268      4.156085      6.820179
  O     -10.770354      3.644427      6.117178
  H       0.341394      0.987842     -1.587933
  H       0.253880      0.312257     -3.257691
  H       0.562707     -0.738093     -1.827798
  H      -4.023090     -0.367194     -1.668135
  H      -5.854819     -0.960155      1.332714
  H      -4.419087     -1.221926      5.009299
  H      -2.971053     -1.942018      4.274411
  H      -1.579082     -0.644899      2.629808
  H       0.249020     -0.366398      1.463500
  H      -9.557865      9.360553      5.860301
  H      -8.676348      9.917244      4.418787
  H     -10.465971      9.836757      4.395467
  H      -7.157483      8.609784      5.467532
  H      -5.153238      8.146475      6.280790
  H      -3.243384      5.451250      5.300810
  H      -3.888807      5.253434      6.927273
  H      -7.387392      3.834276      4.108665
  H     -10.114356      6.015297      3.389459
  H     -11.832844      6.154107      5.426590
  H     -12.485758      5.400870      6.927717
  H     -12.627699      7.163169      6.644007
  H      -8.404221      6.861684      8.425822
  H      -5.738075      4.575066      8.993898
  H      -6.850525      1.533942      6.147288
  H      -6.847105      0.659141      7.685124
  H      -8.756790      2.278103      6.586441
  H     -11.292734      4.366433      5.725695
  N      -4.099472      1.946137      3.472221
  H      -4.817602      2.553693      3.081140
  H      -3.598642      1.421484      2.761067
95
Coordinates from ORCA-job orca E -6661.171378812715
  N      -2.786925      0.104021      4.741940
  Mo     -3.784727      1.797859      5.441172
  N      -4.944406      0.966339      6.833829
  C      -4.355377      0.297803      7.999533
  C      -2.890199      0.004825      7.743161
  N      -2.278630      1.156207      7.026904
  C      -1.058695      0.757780      6.291236
  C      -1.454071     -0.227432      5.198536
  C      -2.013928      2.309243      7.924744
  C      -1.941483      3.555727      7.061718
  N      -3.051681      3.485966      6.118760
  H      -0.685301     -0.177676      4.397050
  H      -1.417448     -1.265813      5.581121
  H      -0.627804      1.667819      5.853956
  H      -0.314432      0.322184      6.980574
  H      -2.036425      4.448181      7.701433
  H      -0.970290      3.643990      6.541263
  H      -2.872431      2.399162      8.602110
  H      -1.097151      2.135879      8.514693
  H      -4.885839     -0.649230      8.213965
  H      -4.472390      0.939328      8.888941
  H      -2.789814     -0.874100      7.098229
  H      -2.345774     -0.194466      8.681964
  C       0.002329      0.156637     -2.203933
  C      -1.482123     -0.063542     -2.076419
  O      -2.194966     -0.063290     -3.076168
  C      -2.113897     -0.284837     -0.722524
  C      -3.504880     -0.422993     -0.712954
  C      -4.230540     -0.640313      0.461110
  O      -5.565364     -0.775627      0.387316
  C      -3.532133     -0.709952      1.702162
  C      -4.284932     -0.945013      2.939808
  O      -5.511984     -1.170199      2.900155
  C      -3.593191     -1.023531      4.303584
  C      -2.131482     -0.576235      1.689543
  C      -1.419447     -0.370391      0.514038
  O      -0.052055     -0.253017      0.538298
  C      -9.545046      9.352123      4.740319
  C      -9.521258      7.928129      4.251130
  O     -10.545578      7.474372      3.651390
  C      -8.370803      7.089771      4.494016
  C      -7.197432      7.567867      5.135762
  C      -6.119508      6.748563      5.395985
  O      -4.986500      7.221106      6.015478
  C      -6.161399      5.356451      5.053494
  C      -5.142520      4.427487      5.397742
  O      -5.375404      3.149878      5.253397
  C      -3.784214      4.740021      5.951378
  C      -7.331171      4.881302      4.395999
  C      -8.400881      5.709935      4.102562
  O      -9.485980      5.204323      3.477395
  C     -11.976757      6.283273      6.504999
  C     -10.654727      6.555140      7.186901
  O     -10.437153      7.678675      7.646926
  C      -9.622955      5.478175      7.326257
  C      -8.467167      5.839954      8.035611
  C      -7.424084      4.951741      8.270018
  O      -6.344032      5.378025      8.959474
  C      -7.504308      3.626704      7.741694
  C      -6.353671      2.739508      7.868162
  O      -5.366076      3.072239      8.565147
  C      -6.305502      1.408973      7.100641
  C      -8.660620      3.263313      7.028655
  C      -9.710428      4.150281      6.817557
  O     -10.766972      3.638577      6.113798
  H       0.326971      1.008229     -1.589148
  H       0.240937      0.331915     -3.258601
  H       0.554867     -0.716780     -1.828570
  H      -4.032224     -0.364161     -1.665620
  H      -5.858262     -0.967608      1.337276
  H      -4.420882     -1.220686      5.011766
  H      -2.973008     -1.940626      4.276237
  H      -1.583133     -0.631321      2.630148
  H       0.242129     -0.343693      1.462965
  H      -9.547648      9.368807      5.842210
  H      -8.666460      9.918074      4.397933
  H     -10.456163      9.839359      4.375765
  H      -7.146882      8.613240      5.448343
  H      -5.141856      8.151448      6.259485
  H      -3.238802      5.441202      5.290679
  H      -3.878734      5.262426      6.921252
  H      -7.390318      3.829275      4.121900
  H     -10.112291      6.012982      3.390598
  H     -11.828679      6.151089      5.417583
  H     -12.478645      5.395004      6.917828
  H     -12.623432      7.158006      6.636788
  H      -8.398840      6.859259      8.415386
  H      -5.738160      4.569916      8.996876
  H      -6.853973      1.518351      6.159643
  H      -6.843392      0.649134      7.700526
  H      -8.756992      2.269607      6.592631
  H     -11.281833      4.360021      5.711452
  N      -4.110183      1.947429      3.482381
  H      -4.831398      2.553396      3.094579
  H      -3.610570      1.425114      2.768642
95
Coordinates from ORCA-job orca E -6661.171385143387
  N      -2.789542      0.105884      4.743989
  Mo     -3.787304      1.797570      5.446814
  N      -4.944411      0.959975      6.838640
  C      -4.352897      0.290250      8.002397
  C      -2.887491      0.000336      7.743952
  N      -2.278227      1.154132      7.029952
  C      -1.058897      0.759366      6.291633
  C      -1.454114     -0.222199      5.194833
  C      -2.014496      2.305590      7.929726
  C      -1.944548      3.554389      7.069716
  N      -3.053040      3.484500      6.125052
  H      -0.687323     -0.165309      4.391881
  H      -1.412234     -1.262339      5.572089
  H      -0.628943      1.671500      5.857809
  H      -0.313577      0.321497      6.978442
  H      -2.042855      4.444812      7.711869
  H      -0.972676      3.646747      6.551039
  H      -2.871919      2.392466      8.608813
  H      -1.096485      2.133176      8.518112
  H      -4.881394     -0.658165      8.215586
  H      -4.469933      0.929970      8.893196
  H      -2.786514     -0.876868      7.096718
  H      -2.341765     -0.200729      8.681657
  C      -0.004631      0.164872     -2.202714
  C      -1.489232     -0.052987     -2.073874
  O      -2.203390     -0.048937     -3.072755
  C      -2.119862     -0.276301     -0.719826
  C      -3.510837     -0.414922     -0.709352
  C      -4.235656     -0.634280      0.464850
  O      -5.570511     -0.769860      0.392151
  C      -3.536276     -0.705719      1.705517
  C      -4.287800     -0.943685      2.943182
  O      -5.515039     -1.168540      2.904142
  C      -3.595880     -1.021962      4.306965
  C      -2.135667     -0.571652      1.691891
  C      -1.424635     -0.363555      0.516222
  O      -0.057276     -0.245757      0.539522
  C      -9.538813      9.354658      4.725375
  C      -9.517054      7.928301      4.242762
  O     -10.542840      7.473131      3.646284
  C      -8.367366      7.089999      4.487808
  C      -7.192134      7.569445      5.125330
  C      -6.115308      6.749869      5.388566
  O      -4.980466      7.223932      6.003828
  C      -6.159889      5.355696      5.054121
  C      -5.142409      4.426991      5.401937
  O      -5.378509      3.148447      5.267410
  C      -3.781622      4.739678      5.950116
  C      -7.331478      4.879088      4.400557
  C      -8.400099      5.707949      4.104016
  O      -9.487257      5.200935      3.483189
  C     -11.973733      6.278716      6.502448
  C     -10.650201      6.552012      7.180429
  O     -10.430484      7.676606      7.636231
  C      -9.619009      5.473994      7.321842
  C      -8.463456      5.836098      8.030825
  C      -7.421837      4.946695      8.268570
  O      -6.341817      5.373313      8.957897
  C      -7.504252      3.620564      7.744034
  C      -6.354364      2.731884      7.872944
  O      -5.367454      3.064860      8.570142
  C      -6.305751      1.400394      7.107331
  C      -8.660247      3.256951      7.031102
  C      -9.708240      4.145210      6.815938
  O     -10.764280      3.633983      6.111104
  H       0.321433      1.015825     -1.587708
  H       0.233360      0.340672     -3.257437
  H       0.547357     -0.709205     -1.828057
  H      -4.038889     -0.354644     -1.661550
  H      -5.862181     -0.963457      1.342485
  H      -4.423687     -1.217395      5.015437
  H      -2.975891     -1.939251      4.280873
  H      -1.586148     -0.627589      2.631783
  H       0.237623     -0.334666      1.464141
  H      -9.540475      9.376696      5.827192
  H      -8.659951      9.918344      4.379870
  H     -10.449717      9.841157      4.359254
  H      -7.139347      8.616561      5.431822
  H      -5.133037      8.156700      6.240234
  H      -3.235688      5.433813      5.282261
  H      -3.871436      5.270125      6.915998
  H      -7.393010      3.825632      4.132494
  H     -10.111888      6.010939      3.392488
  H     -11.827901      6.148104      5.414524
  H     -12.472764      5.388622      6.914577
  H     -12.621372      7.152357      6.636778
  H      -8.393811      6.856257      8.408120
  H      -5.736993      4.564647      8.997664
  H      -6.856333      1.506781      6.167183
  H      -6.841111      0.640486      7.709410
  H      -8.757313      2.262405      6.597123
  H     -11.271261      4.354936      5.697955
  N      -4.115479      1.951621      3.488737
  H      -4.838109      2.557127      3.102808
  H      -3.618220      1.429347      2.773249
95
Coordinates from ORCA-job orca E -6661.171390921669
  N      -2.790210      0.110049      4.747891
  Mo     -3.788905      1.798168      5.455810
  N      -4.943448      0.952166      6.845448
  C      -4.349668      0.281808      8.007505
  C      -2.883648     -0.004189      7.747771
  N      -2.276905      1.152399      7.036543
  C      -1.058120      0.761947      6.295557
  C      -1.453060     -0.216091      5.195122
  C      -2.014815      2.302115      7.938584
  C      -1.945815      3.553071      7.081554
  N      -3.052151      3.483730      6.134613
  H      -0.687049     -0.153979      4.391778
  H      -1.407932     -1.257701      5.567890
  H      -0.629585      1.676240      5.864909
  H      -0.311291      0.322252      6.979605
  H      -2.047376      4.441569      7.725977
  H      -0.972951      3.649057      6.565234
  H      -2.872318      2.386413      8.617860
  H      -1.096704      2.130081      8.526998
  H      -4.875504     -0.668433      8.219231
  H      -4.467701      0.919525      8.899714
  H      -2.781390     -0.879620      7.098281
  H      -2.337180     -0.206948      8.684691
  C      -0.019312      0.173118     -2.207476
  C      -1.503265     -0.046895     -2.075506
  O      -2.219384     -0.045488     -3.073014
  C      -2.130967     -0.268698     -0.719909
  C      -3.521359     -0.412147     -0.706657
  C      -4.243669     -0.630915      0.469146
  O      -5.578183     -0.770976      0.399028
  C      -3.542034     -0.697736      1.708841
  C      -4.290600     -0.937842      2.947801
  O      -5.517591     -1.164535      2.910846
  C      -3.596710     -1.017613      4.310625
  C      -2.141812     -0.558825      1.692587
  C      -1.433485     -0.350268      0.515380
  O      -0.066744     -0.226814      0.536095
  C      -9.527735      9.359698      4.710579
  C      -9.508121      7.931008      4.234598
  O     -10.535692      7.474450      3.641741
  C      -8.359645      7.092571      4.482178
  C      -7.182265      7.573254      5.115170
  C      -6.106870      6.753170      5.381864
  O      -4.969947      7.228580      5.992509
  C      -6.154828      5.356763      5.056811
  C      -5.139559      4.428103      5.409445
  O      -5.380051      3.148579      5.287061
  C      -3.776114      4.740389      5.952012
  C      -7.328540      4.878786      4.407516
  C      -8.395653      5.708065      4.107221
  O      -9.485368      5.199730      3.491517
  C     -11.970953      6.269636      6.490995
  C     -10.647664      6.544457      7.168187
  O     -10.426982      7.669795      7.620791
  C      -9.616710      5.465692      7.312879
  C      -8.462606      5.828552      8.023116
  C      -7.422829      4.938059      8.266212
  O      -6.344163      5.365314      8.957099
  C      -7.506414      3.610649      7.745840
  C      -6.356779      2.721301      7.878282
  O      -5.371710      3.055216      8.576962
  C      -6.305652      1.389053      7.114597
  C      -8.660904      3.246487      7.031283
  C      -9.706690      4.135899      6.809931
  O     -10.761061      3.624800      6.102509
  H       0.305758      1.027301     -1.596381
  H       0.216738      0.345313     -3.263216
  H       0.535046     -0.698124     -1.829781
  H      -4.051138     -0.356332     -1.658186
  H      -5.867590     -0.963365      1.350408
  H      -4.423486     -1.213378      5.020125
  H      -2.976402     -1.934659      4.282956
  H      -1.590934     -0.609505      2.631962
  H       0.229966     -0.308774      1.460797
  H      -9.527726      9.387328      5.812259
  H      -8.648868      9.921064      4.361243
  H     -10.438629      9.845460      4.343447
  H      -7.126779      8.622299      5.414597
  H      -5.118928      8.164124      6.219998
  H      -3.229452      5.426884      5.276737
  H      -3.860687      5.278976      6.913839
  H      -7.392887      3.823780      4.146362
  H     -10.107690      6.011542      3.395905
  H     -11.824698      6.141975      5.402783
  H     -12.466983      5.376720      6.900253
  H     -12.620491      7.141527      6.627415
  H      -8.392390      6.849657      8.397720
  H      -5.740317      4.556298      9.000766
  H      -6.857778      1.492034      6.174973
  H      -6.838322      0.628605      7.718447
  H      -8.757690      2.250982      6.599491
  H     -11.257092      4.344623      5.674324
  N      -4.123155      1.957563      3.499350
  H      -4.848515      2.562390      3.117272
  H      -3.628417      1.437245      2.780553
95
Coordinates from ORCA-job orca E -6661.171400952452
  N      -2.791695      0.116737      4.753340
  Mo     -3.791261      1.799581      5.469973
  N      -4.941144      0.939967      6.856292
  C      -4.343566      0.269340      8.015823
  C      -2.876523     -0.010532      7.753741
  N      -2.274030      1.150115      7.045892
  C      -1.056517      0.765811      6.300041
  C      -1.451806     -0.206658      5.194413
  C      -2.013657      2.297343      7.951179
  C      -1.945881      3.551428      7.098517
  N      -3.050023      3.483398      6.149413
  H      -0.688037     -0.136794      4.389587
  H      -1.401973     -1.250458      5.560363
  H      -0.630025      1.683123      5.873880
  H      -0.307216      0.323134      6.979507
  H      -2.051234      4.437242      7.746189
  H      -0.972001      3.652253      6.584798
  H      -2.871637      2.378227      8.630317
  H      -1.095780      2.124933      8.539921
  H      -4.864818     -0.683812      8.226078
  H      -4.463045      0.904132      8.910075
  H      -2.772236     -0.883600      7.101333
  H      -2.328789     -0.215062      8.689552
  C      -0.042372      0.183846     -2.213563
  C      -1.526111     -0.034567     -2.076336
  O      -2.245626     -0.033421     -3.071368
  C      -2.149281     -0.255094     -0.718435
  C      -3.539076     -0.402291     -0.700590
  C      -4.257579     -0.620347      0.477593
  O      -5.592024     -0.762955      0.411415
  C      -3.552143     -0.684224      1.715124
  C      -4.296250     -0.928340      2.956161
  O      -5.523174     -1.155483      2.922760
  C      -3.598490     -1.011019      4.316980
  C      -2.152243     -0.541238      1.694651
  C      -1.447889     -0.331813      0.515193
  O      -0.081865     -0.202844      0.531920
  C      -9.511015      9.367022      4.685010
  C      -9.494182      7.934629      4.219813
  O     -10.523887      7.475519      3.631783
  C      -8.347856      7.096058      4.472828
  C      -7.167739      7.578850      5.099763
  C      -6.094579      6.758173      5.372555
  O      -4.954816      7.235806      5.976528
  C      -6.147318      5.358460      5.062136
  C      -5.135242      4.430247      5.422590
  O      -5.382212      3.149403      5.318446
  C      -3.767877      4.742111      5.956979
  C      -7.323836      4.878182      4.418741
  C      -8.388577      5.707828      4.112020
  O      -9.481957      5.197270      3.503829
  C     -11.967486      6.253737      6.474115
  C     -10.644191      6.531558      7.148989
  O     -10.421869      7.658133      7.596214
  C      -9.613171      5.451954      7.298377
  C      -8.461550      5.815950      8.010952
  C      -7.424603      4.923860      8.262279
  O      -6.348215      5.352189      8.955610
  C      -7.509728      3.594319      7.748370
  C      -6.360668      2.703924      7.886945
  O      -5.378669      3.039524      8.588278
  C      -6.304956      1.370938      7.125591
  C      -8.661601      3.229596      7.030573
  C      -9.703679      4.120868      6.799319
  O     -10.754938      3.610410      6.086536
  H       0.284719      1.040891     -1.607549
  H       0.190531      0.351009     -3.270804
  H       0.512483     -0.685772     -1.832940
  H      -4.071785     -0.350173     -1.650736
  H      -5.878536     -0.954316      1.363719
  H      -4.423156     -1.207694      5.028574
  H      -2.977615     -1.927626      4.286253
  H      -1.599630     -0.587838      2.633212
  H       0.217516     -0.278091      1.456355
  H      -9.509572      9.403567      5.786392
  H      -8.631776      9.924438      4.330238
  H     -10.421515      9.851583      4.315295
  H      -7.108375      8.630806      5.388122
  H      -5.098559      8.175302      6.190612
  H      -3.220898      5.418017      5.271197
  H      -3.844694      5.291462      6.913332
  H      -7.391982      3.820863      4.168181
  H     -10.100540      6.011706      3.399904
  H     -11.821412      6.131911      5.385249
  H     -12.457110      5.355472      6.878689
  H     -12.620681      7.122111      6.615292
  H      -8.390722      6.838439      8.381629
  H      -5.745506      4.542809      9.004832
  H      -6.858938      1.469565      6.186575
  H      -6.833607      0.609433      7.731726
  H      -8.757849      2.232683      6.601945
  H     -11.230621      4.327926      5.632049
  N      -4.133653      1.967242      3.515907
  H      -4.862092      2.571902      3.139178
  H      -3.640878      1.451399      2.792351
95
Coordinates from ORCA-job orca E -6661.171436831915
  N      -2.792246      0.131958      4.766010
  Mo     -3.792977      1.804105      5.500226
  N      -4.933580      0.916421      6.878599
  C      -4.329293      0.246239      8.033969
  C      -2.859966     -0.021502      7.768125
  N      -2.265682      1.146871      7.066867
  C      -1.050925      0.774280      6.311522
  C      -1.447392     -0.186776      5.195645
  C      -2.008586      2.289146      7.978436
  C      -1.941378      3.548929      7.133981
  N      -3.041248      3.484360      6.180610
  H      -0.688269     -0.101958      4.387884
  H      -1.389125     -1.234835      5.547779
  H      -0.627763      1.697164      5.894343
  H      -0.297096      0.325212      6.981849
  H      -2.053255      4.429879      7.787481
  H      -0.965318      3.657876      6.625629
  H      -2.868660      2.364307      8.655745
  H      -1.092280      2.115014      8.569240
  H      -4.841283     -0.712586      8.241747
  H      -4.452153      0.875630      8.931844
  H      -2.751110     -0.890138      7.110473
  H      -2.310293     -0.228884      8.702189
  C      -0.099791      0.205410     -2.229207
  C      -1.582986     -0.008750     -2.078784
  O      -2.311022     -0.007730     -3.067491
  C      -2.194525     -0.226414     -0.715120
  C      -3.582926     -0.381626     -0.685469
  C      -4.291389     -0.598142      0.498937
  O      -5.625674     -0.746645      0.442980
  C      -3.575987     -0.655277      1.730553
  C      -4.308707     -0.906642      2.977325
  O      -5.535357     -1.135446      2.953585
  C      -3.599489     -0.996235      4.331992
  C      -2.176953     -0.503601      1.698973
  C      -1.482898     -0.292657      0.513676
  O      -0.118437     -0.151900      0.519999
  C      -9.470991      9.384347      4.635308
  C      -9.460788      7.944663      4.192218
  O     -10.494372      7.481699      3.612355
  C      -8.319113      7.105319      4.455811
  C      -7.133455      7.591667      5.070808
  C      -6.065315      6.769471      5.356335
  O      -4.920047      7.250719      5.947627
  C      -6.128131      5.363630      5.075638
  C      -5.122629      4.436484      5.452482
  O      -5.382595      3.153873      5.384909
  C      -3.747773      4.746979      5.971553
  C      -7.310114      4.879535      4.443583
  C      -8.369736      5.710077      4.123782
  O      -9.470637      5.195437      3.530763
  C     -11.963160      6.212391      6.427795
  C     -10.642071      6.498152      7.101322
  O     -10.419218      7.627043      7.538981
  C      -9.609852      5.418192      7.263080
  C      -8.466479      5.785443      7.984805
  C      -7.434469      4.891765      8.254582
  O      -6.365548      5.323290      8.956315
  C      -7.518864      3.558521      7.751755
  C      -6.368925      2.668763      7.902827
  O      -5.395400      3.008827      8.612112
  C      -6.301185      1.334743      7.145907
  C      -8.662897      3.191442      7.024060
  C      -9.697518      4.085109      6.770017
  O     -10.738562      3.575981      6.040515
  H       0.232923      1.068327     -1.634720
  H       0.124968      0.361480     -3.289882
  H       0.456055     -0.661110     -1.843211
  H      -4.123306     -0.337466     -1.631738
  H      -5.904664     -0.935996      1.397378
  H      -4.417896     -1.197047      5.049530
  H      -2.976679     -1.911177      4.291524
  H      -1.619532     -0.542154      2.635016
  H       0.187665     -0.214097      1.443219
  H      -9.466691      9.438962      5.735752
  H      -8.590571      9.932743      4.269470
  H     -10.380290      9.867088      4.260278
  H      -7.065930      8.648972      5.337049
  H      -5.052842      8.197500      6.134753
  H      -3.200693      5.403620      5.267230
  H      -3.809978      5.314377      6.918353
  H      -7.386157      3.817959      4.214389
  H     -10.080627      6.015218      3.407863
  H     -11.814725      6.104642      5.337965
  H     -12.437925      5.301421      6.819912
  H     -12.625960      7.071750      6.578752
  H      -8.397293      6.810344      8.349013
  H      -5.764118      4.514027      9.017792
  H      -6.856907      1.425047      6.207050
  H      -6.822432      0.570673      7.755368
  H      -8.755010      2.192232      6.599971
  H     -11.164064      4.285161      5.526592
  N      -4.154449      1.988792      3.551935
  H      -4.888671      2.594490      3.187790
  H      -3.668224      1.481211      2.817895
95
Coordinates from ORCA-job orca E -6661.171452658313
  N      -2.793277      0.147670      4.778716
  Mo     -3.794538      1.809110      5.530706
  N      -4.926060      0.893572      6.900300
  C      -4.315519      0.223328      8.051422
  C      -2.843983     -0.032598      7.782072
  N      -2.257518      1.143449      7.087820
  C      -1.045653      0.782475      6.323101
  C      -1.443606     -0.166619      5.196811
  C      -2.003465      2.280542      8.005871
  C      -1.936482      3.546166      7.169805
  N      -3.032126      3.485422      6.212181
  H      -0.689231     -0.066705      4.386355
  H      -1.377166     -1.218835      5.534662
  H      -0.625475      1.710788      5.915243
  H      -0.287497      0.326728      6.984102
  H      -2.054693      4.422121      7.829188
  H      -0.958269      3.663058      6.666928
  H      -2.865683      2.350121      8.681214
  H      -1.088856      2.104310      8.598801
  H      -4.818541     -0.740978      8.256310
  H      -4.441666      0.847041      8.953064
  H      -2.730716     -0.896607      7.118998
  H      -2.292568     -0.243214      8.714403
  C      -0.157507      0.227198     -2.244032
  C      -1.640126      0.017854     -2.080567
  O      -2.376546      0.019154     -3.062933
  C      -2.240167     -0.196894     -0.711317
  C      -3.627079     -0.359647     -0.669954
  C      -4.325616     -0.574503      0.520510
  O      -5.659687     -0.728431      0.474668
  C      -3.600425     -0.625284      1.746145
  C      -4.321788     -0.883817      2.998484
  O      -5.548163     -1.113859      2.984368
  C      -3.601176     -0.980731      4.346848
  C      -2.202339     -0.465390      1.703548
  C      -1.518506     -0.253016      0.512560
  O      -0.155747     -0.100918      0.508555
  C      -9.432255      9.398432      4.584749
  C      -9.428635      7.951494      4.164840
  O     -10.466179      7.484379      3.593695
  C      -8.291402      7.111815      4.439133
  C      -7.100214      7.601985      5.041711
  C      -6.036782      6.778937      5.340091
  O      -4.886066      7.263941      5.918306
  C      -6.109184      5.367612      5.089644
  C      -5.109752      4.442402      5.482805
  O      -5.381843      3.158979      5.452077
  C      -3.727465      4.751559      5.986463
  C      -7.296599      4.879348      4.469456
  C      -8.351539      5.710010      4.136608
  O      -9.459877      5.190906      3.559418
  C     -11.956742      6.172874      6.380480
  C     -10.638251      6.466025      7.053566
  O     -10.415158      7.596714      7.482797
  C      -9.604936      5.385756      7.227424
  C      -8.470324      5.755779      7.959092
  C      -7.443664      4.860428      8.247191
  O      -6.382676      5.294737      8.958086
  C      -7.527307      3.523889      7.754536
  C      -6.376850      2.634503      7.918207
  O      -5.412154      2.978435      8.635998
  C      -6.297180      1.299840      7.165259
  C      -8.662983      3.155003      7.016053
  C      -9.689526      4.051148      6.739281
  O     -10.719545      3.543978      5.992055
  H       0.180972      1.095730     -1.661113
  H       0.059165      0.372142     -3.307944
  H       0.399097     -0.636348     -1.852705
  H      -4.174977     -0.323174     -1.612281
  H      -5.931290     -0.915802      1.431038
  H      -4.413321     -1.185616      5.070222
  H      -2.976719     -1.894083      4.296483
  H      -1.640275     -0.496224      2.637058
  H       0.156828     -0.150205      1.430402
  H      -9.424656      9.472095      5.683804
  H      -8.550879      9.937413      4.207297
  H     -10.340523      9.878907      4.204341
  H      -7.024800      8.664224      5.285327
  H      -5.008126      8.217110      6.078038
  H      -3.180769      5.388686      5.264002
  H      -3.774998      5.336618      6.923283
  H      -7.380183      3.813905      4.262075
  H     -10.061839      6.014965      3.417231
  H     -11.805636      6.080217      5.289829
  H     -12.416630      5.249282      6.758944
  H     -12.629111      7.022860      6.541583
  H      -8.402891      6.782782      8.317600
  H      -5.782700      4.485629      9.031599
  H      -6.854088      1.382395      6.226360
  H      -6.811656      0.533335      7.777562
  H      -8.750802      2.153819      6.595801
  H     -11.091558      4.240698      5.422078
  N      -4.174867      2.011239      3.588546
  H      -4.914548      2.618145      3.237143
  H      -3.695557      1.511897      2.844098
95
Coordinates from ORCA-job orca E -6661.171494615711
  N      -2.791985      0.166409      4.790963
  Mo     -3.792645      1.818062      5.555591
  N      -4.917449      0.873644      6.912803
  C      -4.303518      0.202234      8.060378
  C      -2.828385     -0.040139      7.792015
  N      -2.248701      1.144048      7.106599
  C      -1.038326      0.795159      6.335090
  C      -1.435879     -0.139137      5.195052
  C      -2.000600      2.275716      8.032052
  C      -1.931288      3.546900      7.204511
  N      -3.021363      3.490825      6.240960
  H      -0.688186     -0.017669      4.381542
  H      -1.357329     -1.196258      5.514104
  H      -0.618381      1.728961      5.940047
  H      -0.278277      0.330115      6.987507
  H      -2.056146      4.418008      7.869324
  H      -0.950322      3.670927      6.708428
  H      -2.867803      2.339853      8.701747
  H      -1.090080      2.096982      8.630607
  H      -4.796978     -0.768335      8.259600
  H      -4.436234      0.818600      8.966362
  H      -2.707431     -0.899531      7.124229
  H      -2.278095     -0.253083      8.724475
  C      -0.213103      0.227380     -2.260834
  C      -1.696173      0.032461     -2.082602
  O      -2.442118      0.039596     -3.057564
  C      -2.284158     -0.176943     -0.707244
  C      -3.670059     -0.340837     -0.652574
  C      -4.358357     -0.550279      0.544648
  O      -5.692967     -0.702708      0.510190
  C      -3.622418     -0.597825      1.763260
  C      -4.332521     -0.859472      3.021935
  O      -5.559411     -1.085371      3.018770
  C      -3.599433     -0.963700      4.363408
  C      -2.224608     -0.436483      1.708128
  C      -1.551300     -0.225944      0.510819
  O      -0.189860     -0.068388      0.495085
  C      -9.396611      9.414445      4.545724
  C      -9.398410      7.961782      4.144979
  O     -10.439109      7.491494      3.580664
  C      -8.264958      7.121801      4.427604
  C      -7.069284      7.614576      5.020284
  C      -6.009986      6.790781      5.329588
  O      -4.855011      7.278113      5.897763
  C      -6.090325      5.375663      5.104115
  C      -5.096285      4.452001      5.511335
  O      -5.377404      3.168713      5.508173
  C      -3.709195      4.759538      6.005764
  C      -7.281712      4.884492      4.492506
  C      -8.332990      5.714994      4.149639
  O      -9.448038      5.192306      3.586369
  C     -11.955892      6.129955      6.338155
  C     -10.640241      6.430621      7.011316
  O     -10.418546      7.562208      7.435292
  C      -9.604118      5.351526      7.194064
  C      -8.480306      5.722959      7.939461
  C      -7.457738      4.826766      8.242406
  O      -6.406456      5.262393      8.965788
  C      -7.537096      3.489036      7.753367
  C      -6.384243      2.602346      7.925646
  O      -5.428534      2.949302      8.653071
  C      -6.291773      1.269713      7.172183
  C      -8.662941      3.119633      7.001136
  C      -9.682011      4.017647      6.704306
  O     -10.697963      3.514902      5.934029
  H       0.137035      1.099945     -1.691038
  H      -0.005076      0.358692     -3.328213
  H       0.339208     -0.636196     -1.863794
  H      -4.226315     -0.309777     -1.590259
  H      -5.957424     -0.886711      1.468363
  H      -4.404693     -1.172163      5.093265
  H      -2.972526     -1.874770      4.303538
  H      -1.657641     -0.462769      2.638758
  H       0.129601     -0.104616      1.415185
  H      -9.385651      9.504308      5.643179
  H      -8.514722      9.945290      4.158000
  H     -10.304182      9.893058      4.161339
  H      -6.987280      8.680474      5.245056
  H      -4.967478      8.236003      6.034308
  H      -3.163115      5.384115      5.271964
  H      -3.747080      5.354168      6.936996
  H      -7.371320      3.816310      4.302783
  H     -10.042888      6.019744      3.426838
  H     -11.802942      6.057733      5.246558
  H     -12.397704      5.191298      6.698883
  H     -12.639642      6.967869      6.513724
  H      -8.417209      6.750420      8.297364
  H      -5.806121      4.454438      9.047221
  H      -6.846326      1.349778      6.231578
  H      -6.803732      0.499641      7.782313
  H      -8.743850      2.118388      6.579740
  H     -11.008919      4.196091      5.310442
  N      -4.186225      2.038915      3.618987
  H      -4.929631      2.648436      3.279528
  H      -3.716977      1.544012      2.864931
95
Coordinates from ORCA-job orca E -6661.171469668258
  N      -2.790347      0.184668      4.802712
  Mo     -3.790683      1.826803      5.578575
  N      -4.909141      0.854728      6.922803
  C      -4.292530      0.181819      8.067069
  C      -2.813745     -0.047075      7.800579
  N      -2.240550      1.145134      7.124150
  C      -1.031256      0.808234      6.346721
  C      -1.427977     -0.111325      5.193151
  C      -1.998837      2.271502      8.056912
  C      -1.927244      3.548035      7.237630
  N      -3.011844      3.496361      6.268246
  H      -0.687213      0.031974      4.377061
  H      -1.337044     -1.172849      5.493325
  H      -0.611309      1.747243      5.964575
  H      -0.269695      0.334147      6.990930
  H      -2.058646      4.414439      7.907537
  H      -0.943665      3.678918      6.748246
  H      -2.871193      2.330266      8.720602
  H      -1.092579      2.090393      8.661288
  H      -4.776704     -0.794794      8.260154
  H      -4.432141      0.790655      8.977320
  H      -2.684734     -0.901843      7.128299
  H      -2.265026     -0.262190      8.733456
  C      -0.266979      0.226931     -2.276683
  C      -1.750265      0.046503     -2.084001
  O      -2.505467      0.060131     -3.051575
  C      -2.326333     -0.158224     -0.702841
  C      -3.711175     -0.322830     -0.635130
  C      -4.389332     -0.527283      0.568582
  O      -5.724426     -0.677806      0.545319
  C      -3.642859     -0.572296      1.780154
  C      -4.341926     -0.836845      3.044941
  O      -5.569219     -1.058591      3.052556
  C      -3.596634     -0.947650      4.379547
  C      -2.245386     -0.409992      1.712687
  C      -1.582475     -0.201044      0.509299
  O      -0.222369     -0.038672      0.482012
  C      -9.366554      9.425883      4.507631
  C      -9.373389      7.967611      4.126424
  O     -10.417003      7.493766      3.569125
  C      -8.243288      7.127744      4.417380
  C      -7.043621      7.623643      5.000428
  C      -5.987750      6.799981      5.320340
  O      -4.829067      7.289950      5.878959
  C      -6.074617      5.381775      5.118615
  C      -5.084901      4.460443      5.538831
  O      -5.373141      3.177755      5.559929
  C      -3.693842      4.767043      6.025562
  C      -7.269406      4.887063      4.515415
  C      -8.318028      5.716357      4.163368
  O      -9.439173      5.189044      3.614128
  C     -11.949140      6.095519      6.295873
  C     -10.637444      6.400924      6.972635
  O     -10.417465      7.532052      7.395119
  C      -9.599597      5.322128      7.163093
  C      -8.487819      5.691967      7.925189
  C      -7.470404      4.793586      8.241420
  O      -6.429742      5.227812      8.979946
  C      -7.545373      3.456129      7.751728
  C      -6.391097      2.571025      7.932038
  O      -5.444730      2.918918      8.670520
  C      -6.286381      1.241517      7.176122
  C      -8.660320      3.089206      6.982887
  C      -9.670528      3.990691      6.667404
  O     -10.670853      3.496056      5.870778
  H       0.094756      1.102851     -1.719488
  H      -0.067699      0.345437     -3.347202
  H       0.281070     -0.636898     -1.874568
  H      -4.275648     -0.296433     -1.568103
  H      -5.981852     -0.858794      1.505138
  H      -4.395037     -1.159902      5.115664
  H      -2.966931     -1.856108      4.310543
  H      -1.673505     -0.432546      2.640358
  H       0.103823     -0.062792      1.400152
  H      -9.351989      9.532472      5.603131
  H      -8.484396      9.948501      4.109422
  H     -10.273636      9.902193      4.119265
  H      -6.955975      8.692767      5.206993
  H      -4.932983      8.251625      5.993615
  H      -3.148792      5.381320      5.282397
  H      -3.723769      5.369114      6.952316
  H      -7.363952      3.816483      4.342696
  H     -10.028459      6.018215      3.437784
  H     -11.792730      6.046147      5.203861
  H     -12.374348      5.142174      6.635639
  H     -12.643694      6.921157      6.486383
  H      -8.429138      6.718712      8.285816
  H      -5.829588      4.420444      9.067488
  H      -6.837611      1.321024      6.233414
  H      -6.797105      0.467496      7.782466
  H      -8.734224      2.089288      6.557160
  H     -10.917638      4.160772      5.201374
  N      -4.195952      2.065542      3.647336
  H      -4.942714      2.677502      3.319182
  H      -3.736549      1.574676      2.884356
95
Coordinates from ORCA-job orca E -6661.171492648418
  N      -2.785546      0.181970      4.795580
  Mo     -3.788660      1.827272      5.559614
  N      -4.914248      0.861402      6.901386
  C      -4.304047      0.188897      8.049498
  C      -2.823782     -0.040932      7.791616
  N      -2.247100      1.149773      7.115460
  C      -1.033388      0.810152      6.346050
  C      -1.424473     -0.111792      5.192384
  C      -2.010243      2.277783      8.047624
  C      -1.934282      3.551915      7.225928
  N      -3.017234      3.499629      6.254383
  H      -0.682104      0.031822      4.377953
  H      -1.333551     -1.172779      5.494242
  H      -0.609764      1.747627      5.964288
  H      -0.276679      0.336441      6.996144
  H      -2.065132      4.420448      7.892974
  H      -0.949773      3.679270      6.737820
  H      -2.887230      2.338229      8.705130
  H      -1.107892      2.096776      8.657742
  H      -4.789915     -0.787156      8.240998
  H      -4.448275      0.798481      8.958338
  H      -2.690273     -0.897481      7.122567
  H      -2.280447     -0.252769      8.728343
  C      -0.235447      0.198890     -2.275301
  C      -1.720475      0.027605     -2.086711
  O      -2.472905      0.046596     -3.056280
  C      -2.301025     -0.177155     -0.707364
  C      -3.687081     -0.333346     -0.643401
  C      -4.369005     -0.535658      0.558612
  O      -5.705000     -0.677425      0.531861
  C      -3.625680     -0.586162      1.771659
  C      -4.329983     -0.844589      3.034955
  O      -5.557528     -1.064607      3.038940
  C      -3.587631     -0.952774      4.371364
  C      -2.227176     -0.432700      1.707732
  C      -1.560097     -0.226840      0.506122
  O      -0.198684     -0.073364      0.482536
  C      -9.397533      9.409627      4.520819
  C      -9.393896      7.956108      4.121605
  O     -10.429576      7.483284      3.549807
  C      -8.260039      7.119296      4.409869
  C      -7.069759      7.616510      5.010417
  C      -6.010151      6.796580      5.328462
  O      -4.860753      7.287108      5.904639
  C      -6.084953      5.381333      5.106607
  C      -5.092588      4.460545      5.523460
  O      -5.374009      3.177984      5.519977
  C      -3.708891      4.768559      6.027864
  C      -7.269125      4.885838      4.485072
  C      -8.320964      5.711190      4.134128
  O      -9.430122      5.180413      3.564029
  C     -11.946684      6.134566      6.347266
  C     -10.631855      6.428102      7.023876
  O     -10.404617      7.556010      7.451919
  C      -9.599322      5.343455      7.202779
  C      -8.479187      5.703164      7.957818
  C      -7.461620      4.799560      8.256240
  O      -6.412486      5.224435      8.988245
  C      -7.543547      3.466209      7.755093
  C      -6.388799      2.578931      7.917940
  O      -5.435191      2.921793      8.650696
  C      -6.290808      1.253386      7.153012
  C      -8.668513      3.108651      6.995186
  C      -9.680119      4.015728      6.699391
  O     -10.693588      3.531689      5.912403
  H       0.130842      1.071013     -1.715270
  H      -0.032832      0.318392     -3.345085
  H       0.305644     -0.669834     -1.874363
  H      -4.249307     -0.301493     -1.577511
  H      -5.966148     -0.857436      1.490417
  H      -4.387598     -1.167153      5.105285
  H      -2.955580     -1.859644      4.303910
  H      -1.657506     -0.462637      2.636523
  H       0.124947     -0.104472      1.401319
  H      -9.391075      9.502251      5.618100
  H      -8.515449      9.941311      4.134822
  H     -10.304533      9.885856      4.132220
  H      -6.992519      8.683022      5.233605
  H      -4.974352      8.245541      6.036140
  H      -3.162321      5.400867      5.301523
  H      -3.753509      5.352632      6.965549
  H      -7.352689      3.817185      4.295601
  H     -10.025551      6.004383      3.390286
  H     -11.792706      6.086726      5.255023
  H     -12.378818      5.183908      6.686074
  H     -12.634742      6.964806      6.541378
  H      -8.413528      6.726956      8.325564
  H      -5.814239      4.414057      9.063326
  H      -6.839300      1.343540      6.209642
  H      -6.807336      0.478068      7.752648
  H      -8.750999      2.112178      6.562990
  H     -10.954207      4.208539      5.259659
  N      -4.180877      2.061526      3.625035
  H      -4.923846      2.675199      3.291789
  H      -3.719299      1.566818      2.866072
95
Coordinates from ORCA-job orca E -6661.171483386967
  N      -2.781476      0.172444      4.791833
  Mo     -3.778455      1.828604      5.540991
  N      -4.909324      0.883848      6.892398
  C      -4.302418      0.212404      8.043288
  C      -2.823550     -0.026665      7.786233
  N      -2.241116      1.156877      7.101870
  C      -1.027570      0.806203      6.336579
  C      -1.421384     -0.123239      5.190120
  C      -1.998846      2.289569      8.027348
  C      -1.921126      3.557649      7.197094
  N      -3.010200      3.503924      6.231888
  H      -0.679708      0.012217      4.373746
  H      -1.333744     -1.182162      5.500046
  H      -0.599881      1.738994      5.947914
  H      -0.273983      0.334840      6.991905
  H      -2.042850      4.431464      7.858692
  H      -0.939334      3.675772      6.701676
  H      -2.874210      2.356915      8.686283
  H      -1.095463      2.108931      8.635956
  H      -4.794147     -0.760001      8.238235
  H      -4.443402      0.826372      8.949435
  H      -2.694037     -0.888197      7.122910
  H      -2.280699     -0.234223      8.724175
  C      -0.221720      0.167253     -2.271780
  C      -1.707644      0.002285     -2.084644
  O      -2.459306      0.027799     -3.054699
  C      -2.290393     -0.202870     -0.706247
  C      -3.677994     -0.346803     -0.643632
  C      -4.362009     -0.547412      0.557581
  O      -5.699075     -0.678317      0.529932
  C      -3.619672     -0.606959      1.771003
  C      -4.326947     -0.856982      3.034161
  O      -5.556182     -1.067774      3.038316
  C      -3.585570     -0.962313      4.371143
  C      -2.219877     -0.466570      1.707965
  C      -1.550465     -0.264178      0.507102
  O      -0.187207     -0.125126      0.484288
  C      -9.393444      9.434948      4.598382
  C      -9.393281      7.987597      4.179382
  O     -10.429315      7.524102      3.601799
  C      -8.259478      7.144972      4.454181
  C      -7.068355      7.630999      5.060445
  C      -6.008419      6.804643      5.361264
  O      -4.858103      7.285508      5.943559
  C      -6.084562      5.393695      5.112046
  C      -5.089520      4.465505      5.510322
  O      -5.364451      3.182596      5.476898
  C      -3.710138      4.771127      6.023887
  C      -7.270656      4.909963      4.485205
  C      -8.322797      5.743352      4.152139
  O      -9.433841      5.227361      3.574452
  C     -11.979590      6.093945      6.314423
  C     -10.669795      6.404656      6.994670
  O     -10.456389      7.539471      7.414967
  C      -9.628018      5.332950      7.184592
  C      -8.508247      5.711336      7.933482
  C      -7.478637      4.822662      8.234442
  O      -6.430680      5.264413      8.958648
  C      -7.545313      3.485246      7.741007
  C      -6.382905      2.610797      7.904648
  O      -5.426647      2.963729      8.630457
  C      -6.284082      1.283619      7.142194
  C      -8.669421      3.108558      6.988832
  C      -9.695095      3.999007      6.694402
  O     -10.707964      3.491806      5.922012
  H       0.149300      1.033244     -1.705411
  H      -0.018105      0.293148     -3.340652
  H       0.314808     -0.707312     -1.877362
  H      -4.239467     -0.306250     -1.577824
  H      -5.962053     -0.859702      1.487830
  H      -4.386224     -1.173021      5.105446
  H      -2.955012     -1.870363      4.307380
  H      -1.649691     -0.506124      2.636095
  H       0.136167     -0.166870      1.402714
  H      -9.385429      9.510760      5.696933
  H      -8.510696      9.970067      4.218755
  H     -10.300069      9.918243      4.217744
  H      -6.990156      8.693070      5.303401
  H      -4.974666      8.239963      6.099396
  H      -3.164359      5.420939      5.312758
  H      -3.763874      5.337522      6.971940
  H      -7.355741      3.845074      4.276037
  H     -10.029525      6.055424      3.425145
  H     -11.819713      6.020288      5.224215
  H     -12.415405      5.152592      6.675011
  H     -12.670012      6.927440      6.484891
  H      -8.453297      6.738830      8.292577
  H      -5.822797      4.461173      9.035716
  H      -6.828594      1.376512      6.196793
  H      -6.806579      0.510689      7.739703
  H      -8.742615      2.107709      6.565073
  H     -11.010658      4.168957      5.290022
  N      -4.159194      2.050472      3.602299
  H      -4.897754      2.664844      3.261082
  H      -3.698350      1.545150      2.850127
95
Coordinates from ORCA-job orca E -6661.171423348045
  N      -2.793507      0.164422      4.791078
  Mo     -3.796950      1.814941      5.553840
  N      -4.922169      0.868213      6.910477
  C      -4.307670      0.196084      8.057071
  C      -2.831428     -0.042603      7.790349
  N      -2.253299      1.143070      7.106216
  C      -1.041779      0.796337      6.335218
  C      -1.436767     -0.138294      5.194878
  C      -2.008295      2.275893      8.031295
  C      -1.937593      3.546515      7.202217
  N      -3.026640      3.489403      6.237345
  H      -0.689753     -0.014689      4.381055
  H      -1.356039     -1.195403      5.513355
  H      -0.623012      1.730770      5.940530
  H      -0.281320      0.332452      6.988018
  H      -2.062915      4.418454      7.865833
  H      -0.955940      3.670186      6.707364
  H      -2.878062      2.340334      8.697727
  H      -1.099940      2.097491      8.633234
  H      -4.798766     -0.776103      8.254748
  H      -4.442436      0.810214      8.964219
  H      -2.707312     -0.901485      7.122519
  H      -2.282405     -0.254601      8.723783
  C      -0.207625      0.231568     -2.256654
  C      -1.691336      0.039271     -2.079890
  O      -2.436737      0.052417     -3.055161
  C      -2.280751     -0.171883     -0.705335
  C      -3.666735     -0.335208     -0.652244
  C      -4.356215     -0.546300      0.544085
  O      -5.690720     -0.698945      0.507474
  C      -3.621303     -0.596041      1.762995
  C      -4.332100     -0.859137      3.021150
  O      -5.559790     -1.080667      3.018560
  C      -3.598241     -0.967004      4.361580
  C      -2.223341     -0.435216      1.709493
  C      -1.548793     -0.223016      0.513210
  O      -0.187295     -0.065488      0.499307
  C      -9.402768      9.409133      4.513184
  C      -9.395298      7.957941      4.109378
  O     -10.427201      7.486129      3.529873
  C      -8.263634      7.120080      4.403264
  C      -7.072464      7.611559      5.005971
  C      -6.015255      6.786834      5.320144
  O      -4.864017      7.274118      5.896546
  C      -6.094347      5.371261      5.091612
  C      -5.101439      4.447771      5.503242
  O      -5.383019      3.162990      5.508779
  C      -3.714681      4.757652      5.998090
  C      -7.283780      4.881800      4.473112
  C      -8.330766      5.715125      4.122984
  O      -9.444201      5.200298      3.550296
  C     -11.954091      6.139120      6.379438
  C     -10.633100      6.435507      7.043664
  O     -10.410118      7.562978      7.479019
  C      -9.596098      5.354491      7.215671
  C      -8.473458      5.720363      7.965787
  C      -7.452486      4.820991      8.266214
  O      -6.403632      5.250307      8.996070
  C      -7.531693      3.487188      7.767190
  C      -6.382333      2.596232      7.937676
  O      -5.430426      2.931775      8.674535
  C      -6.293960      1.270055      7.173304
  C      -8.653457      3.124833      7.006542
  C      -9.671519      4.024145      6.714154
  O     -10.683990      3.524306      5.937199
  H       0.144000      1.102670     -1.685579
  H       0.001275      0.363697     -3.323765
  H       0.342422     -0.633754     -1.860309
  H      -4.222061     -0.302884     -1.590446
  H      -5.956676     -0.886127      1.464302
  H      -4.402282     -1.179731      5.091661
  H      -2.968804     -1.875956      4.298264
  H      -1.658162     -0.463713      2.641131
  H       0.131188     -0.104249      1.419641
  H      -9.405107      9.495516      5.610516
  H      -8.518005      9.943512      4.136936
  H     -10.307154      9.886033      4.119300
  H      -6.991708      8.677086      5.232816
  H      -4.977788      8.231763      6.033538
  H      -3.168005      5.380785      5.263521
  H      -3.753980      5.354614      6.927763
  H      -7.373402      3.813969      4.281256
  H     -10.033593      6.032992      3.394612
  H     -11.809385      6.073062      5.285970
  H     -12.393196      5.198686      6.738604
  H     -12.635914      6.976436      6.565020
  H      -8.411437      6.744951      8.331974
  H      -5.803544      4.441693      9.073025
  H      -6.847497      1.361640      6.233247
  H      -6.810550      0.498127      7.777270
  H      -8.732942      2.126837      6.577131
  H     -10.988499      4.204332      5.311824
  N      -4.189351      2.035913      3.617425
  H      -4.932994      2.644786      3.277412
  H      -3.718525      1.541984      2.863741
95
Coordinates from ORCA-job orca E -6661.171482617298
  N      -2.791429      0.169493      4.793487
  Mo     -3.797603      1.816114      5.554876
  N      -4.920448      0.857813      6.904069
  C      -4.307318      0.187880      8.052347
  C      -2.828552     -0.043025      7.791013
  N      -2.253772      1.145886      7.109892
  C      -1.040196      0.804269      6.340578
  C      -1.431176     -0.124341      5.192723
  C      -2.015414      2.277336      8.038147
  C      -1.944582      3.549172      7.212132
  N      -3.031059      3.491968      6.244408
  H      -0.688190      0.013453      4.377760
  H      -1.341240     -1.183498      5.501352
  H      -0.619562      1.740737      5.953020
  H      -0.281871      0.336122      6.992797
  H      -2.073303      4.419760      7.876823
  H      -0.962084      3.675463      6.719815
  H      -2.889348      2.338577      8.699596
  H      -1.109941      2.099663      8.644580
  H      -4.793670     -0.787248      8.247131
  H      -4.448903      0.800090      8.959722
  H      -2.696939     -0.901222      7.123698
  H      -2.282420     -0.252198      8.726740
  C      -0.211427      0.228388     -2.258903
  C      -1.696398      0.048362     -2.078631
  O      -2.444559      0.072571     -3.051493
  C      -2.282861     -0.167236     -0.703480
  C      -3.669195     -0.326005     -0.647121
  C      -4.355957     -0.538327      0.550550
  O      -5.691513     -0.683096      0.517565
  C      -3.617907     -0.594974      1.766957
  C      -4.327268     -0.859066      3.025996
  O      -5.554326     -1.082567      3.024056
  C      -3.590454     -0.966073      4.365220
  C      -2.219481     -0.438956      1.710176
  C      -1.547500     -0.224957      0.512773
  O      -0.185669     -0.071301      0.495816
  C      -9.416946      9.394111      4.499945
  C      -9.419093      7.936696      4.117140
  O     -10.462905      7.458245      3.565889
  C      -8.284272      7.100248      4.406734
  C      -7.089358      7.600963      4.994602
  C      -6.028564      6.782011      5.312577
  O      -4.875109      7.276115      5.877565
  C      -6.105741      5.365264      5.099531
  C      -5.109895      4.446389      5.514353
  O      -5.386973      3.163236      5.509102
  C      -3.726380      4.758530      6.015924
  C      -7.295441      4.866158      4.492070
  C      -8.349482      5.690147      4.143327
  O      -9.463076      5.157254      3.585016
  C     -11.923146      6.182187      6.375086
  C     -10.599594      6.461167      7.042229
  O     -10.361771      7.585439      7.476785
  C      -9.574338      5.368515      7.210675
  C      -8.453283      5.715888      7.970901
  C      -7.442467      4.804420      8.266389
  O      -6.392995      5.216901      9.005400
  C      -7.531251      3.475173      7.756277
  C      -6.385655      2.578480      7.924758
  O      -5.431248      2.914549      8.660008
  C      -6.295491      1.251495      7.161095
  C      -8.654945      3.129743      6.988699
  C      -9.660951      4.044220      6.696939
  O     -10.675444      3.569053      5.905755
  H       0.148525      1.095961     -1.687715
  H      -0.004321      0.360361     -3.326386
  H       0.332235     -0.642127     -1.865173
  H      -4.227266     -0.287609     -1.583457
  H      -5.955884     -0.869355      1.474588
  H      -4.392424     -1.183375      5.096219
  H      -2.956239     -1.871532      4.299312
  H      -1.652447     -0.473959      2.640472
  H       0.134685     -0.112967      1.415354
  H      -9.397762      9.497844      5.596052
  H      -8.538885      9.920836      4.098222
  H     -10.328087      9.866631      4.116495
  H      -7.009665      8.668978      5.209830
  H      -4.988811      8.235000      6.005832
  H      -3.181852      5.391658      5.288756
  H      -3.772158      5.345017      6.952055
  H      -7.381906      3.795994      4.312119
  H     -10.059116      5.981454      3.411418
  H     -11.780497      6.133580      5.281358
  H     -12.364611      5.236859      6.717677
  H     -12.600516      7.019611      6.576039
  H      -8.382994      6.736352      8.347080
  H      -5.801106      4.401569      9.077377
  H      -6.846880      1.341231      6.219511
  H      -6.811202      0.477714      7.763493
  H      -8.743007      2.136278      6.550656
  H     -10.945725      4.257266      5.269907
  N      -4.188928      2.042405      3.618924
  H      -4.932997      2.652543      3.281949
  H      -3.720693      1.549763      2.862754
95
Coordinates from ORCA-job orca E -6661.171532320000
  N      -2.782768      0.187622      4.797541
  Mo     -3.785330      1.833423      5.559889
  N      -4.907979      0.867566      6.904671
  C      -4.294810      0.193448      8.050249
  C      -2.814407     -0.033320      7.790063
  N      -2.240501      1.158476      7.113344
  C      -1.027348      0.820340      6.342266
  C      -1.419091     -0.101584      5.188735
  C      -2.003637      2.286837      8.045181
  C      -1.929703      3.560216      7.222328
  N      -3.015848      3.507313      6.254058
  H      -0.680804      0.046155      4.371435
  H      -1.323264     -1.162569      5.488869
  H      -0.604898      1.758272      5.960475
  H      -0.269642      0.347049      6.991491
  H      -2.057468      4.429433      7.888978
  H      -0.946927      3.686465      6.730654
  H      -2.880291      2.347135      8.703202
  H      -1.100671      2.106394      8.654515
  H      -4.778555     -0.784072      8.239899
  H      -4.439047      0.800342      8.960716
  H      -2.679922     -0.889475      7.120717
  H      -2.269569     -0.244078      8.726154
  C      -0.251422      0.168743     -2.286291
  C      -1.736969      0.009712     -2.090850
  O      -2.493674      0.034972     -3.056939
  C      -2.312778     -0.191287     -0.708941
  C      -3.699570     -0.338229     -0.638894
  C      -4.377368     -0.535624      0.566314
  O      -5.714477     -0.667976      0.545915
  C      -3.629067     -0.590293      1.776017
  C      -4.329968     -0.842524      3.042475
  O      -5.557965     -1.059362      3.051169
  C      -3.582526     -0.949978      4.376077
  C      -2.229817     -0.446249      1.705894
  C      -1.566733     -0.245723      0.501187
  O      -0.204314     -0.102125      0.471291
  C      -9.374745      9.439994      4.564065
  C      -9.386299      7.988398      4.160123
  O     -10.429628      7.526339      3.593765
  C      -8.256912      7.142256      4.440536
  C      -7.063341      7.631485      5.039815
  C      -6.006696      6.805853      5.351721
  O      -4.854946      7.290551      5.928088
  C      -6.087361      5.391904      5.122202
  C      -5.094830      4.466939      5.531577
  O      -5.373207      3.183774      5.518766
  C      -3.712043      4.774847      6.036398
  C      -7.275357      4.903849      4.501853
  C      -8.325008      5.735710      4.157456
  O      -9.437477      5.213230      3.586374
  C     -11.954833      6.084629      6.284875
  C     -10.650304      6.395731      6.974335
  O     -10.437420      7.530800      7.392082
  C      -9.609341      5.322586      7.171069
  C      -8.500446      5.693259      7.939287
  C      -7.479065      4.797930      8.252241
  O      -6.440293      5.231692      8.994472
  C      -7.545184      3.462669      7.752934
  C      -6.388205      2.582178      7.927099
  O      -5.437920      2.930466      8.662345
  C      -6.284229      1.259231      7.158394
  C      -8.658401      3.095039      6.980885
  C      -9.672646      3.992842      6.671139
  O     -10.670745      3.500059      5.870727
  H       0.124550      1.037941     -1.728130
  H      -0.052774      0.286407     -3.357034
  H       0.284419     -0.704342     -1.887709
  H      -4.265752     -0.302477     -1.570474
  H      -5.972731     -0.844323      1.505893
  H      -4.378813     -1.167239      5.113149
  H      -2.947310     -1.854347      4.306069
  H      -1.656188     -0.480105      2.632101
  H       0.123526     -0.136935      1.388470
  H      -9.359159      9.527599      5.661846
  H      -8.490932      9.965375      4.173350
  H     -10.280454      9.925403      4.183913
  H      -6.981404      8.696472      5.268634
  H      -4.966628      8.248223      6.066661
  H      -3.167903      5.414896      5.315178
  H      -3.758902      5.351933      6.978373
  H      -7.363572      3.836448      4.307372
  H     -10.029503      6.041992      3.416311
  H     -11.789267      6.028785      5.194757
  H     -12.382339      5.132963      6.627160
  H     -12.652568      6.909974      6.465015
  H      -8.447200      6.718566      8.304826
  H      -5.837091      4.425698      9.077373
  H      -6.830711      1.352977      6.214386
  H      -6.801613      0.481332      7.754099
  H      -8.728208      2.097279      6.549555
  H     -10.923142      4.174039      5.212342
  N      -4.176879      2.067637      3.625287
  H      -4.920486      2.680540      3.292008
  H      -3.714843      1.573216      2.866423
95
Coordinates from ORCA-job orca E -6661.171592088171
  N      -2.783055      0.176489      4.798228
  Mo     -3.788851      1.823242      5.553431
  N      -4.914457      0.860310      6.897839
  C      -4.304247      0.187907      8.045908
  C      -2.822987     -0.038315      7.790426
  N      -2.248198      1.152707      7.112901
  C      -1.032380      0.813840      6.346264
  C      -1.419961     -0.110402      5.193193
  C      -2.015382      2.283224      8.043312
  C      -1.940190      3.555018      7.218112
  N      -3.024349      3.499738      6.247597
  H      -0.680263      0.037344      4.377222
  H      -1.323476     -1.170837      5.495025
  H      -0.609150      1.751240      5.964072
  H      -0.276554      0.342187      6.998849
  H      -2.069603      4.425577      7.882647
  H      -0.956506      3.680623      6.728162
  H      -2.894532      2.344013      8.697986
  H      -1.114407      2.104560      8.656083
  H      -4.788113     -0.789574      8.235594
  H      -4.451255      0.795827      8.955175
  H      -2.685515     -0.895755      7.123409
  H      -2.280861     -0.246450      8.728670
  C      -0.237000      0.197767     -2.274240
  C      -1.722619      0.033891     -2.083152
  O      -2.477183      0.063579     -3.050760
  C      -2.301091     -0.176947     -0.703793
  C      -3.687648     -0.327800     -0.637922
  C      -4.367710     -0.534227      0.564507
  O      -5.704241     -0.671366      0.539749
  C      -3.622122     -0.593478      1.775609
  C      -4.325313     -0.852404      3.039472
  O      -5.553953     -1.065583      3.045808
  C      -3.580159     -0.961935      4.374062
  C      -2.223079     -0.445707      1.709638
  C      -1.557637     -0.236817      0.507665
  O      -0.195498     -0.089660      0.481885
  C      -9.407218      9.413639      4.519166
  C      -9.401385      7.961141      4.119951
  O     -10.432096      7.489890      3.538475
  C      -8.269233      7.122832      4.413453
  C      -7.081455      7.615626      5.021708
  C      -6.023680      6.792394      5.339145
  O      -4.877135      7.279767      5.923609
  C      -6.097926      5.378318      5.106174
  C      -5.104428      4.454939      5.519044
  O      -5.379133      3.171178      5.501908
  C      -3.724716      4.765559      6.030900
  C      -7.281340      4.887747      4.478508
  C      -8.331306      5.717531      4.129622
  O      -9.441885      5.196308      3.554284
  C     -11.934009      6.141878      6.345424
  C     -10.618247      6.431621      7.022762
  O     -10.387758      7.559853      7.451908
  C      -9.589031      5.345072      7.202694
  C      -8.470338      5.702114      7.962573
  C      -7.454465      4.797226      8.261611
  O      -6.404506      5.218497      8.994983
  C      -7.536315      3.465347      7.757269
  C      -6.384030      2.577934      7.920528
  O      -5.428981      2.919200      8.652924
  C      -6.289444      1.255292      7.150169
  C      -8.659060      3.110020      6.993409
  C      -9.668498      4.017458      6.696399
  O     -10.676317      3.534095      5.901834
  H       0.135696      1.064328     -1.709862
  H      -0.036318      0.322540     -3.343795
  H       0.299985     -0.676571     -1.880002
  H      -4.251699     -0.288280     -1.570630
  H      -5.964218     -0.856621      1.497448
  H      -4.377445     -1.181615      5.109347
  H      -2.943335     -1.865068      4.303559
  H      -1.651673     -0.483767      2.637075
  H       0.130293     -0.129957      1.399546
  H      -9.406720      9.504061      5.615966
  H      -8.523017      9.945345      4.138066
  H     -10.312076      9.890161      4.126019
  H      -7.004311      8.680586      5.252035
  H      -4.993270      8.236583      6.064353
  H      -3.179481      5.409514      5.314047
  H      -3.777915      5.339670      6.974359
  H      -7.365739      3.820308      4.282456
  H     -10.034535      6.026045      3.389371
  H     -11.781179      6.091916      5.253155
  H     -12.369682      5.193238      6.685788
  H     -12.619301      6.974497      6.539320
  H      -8.404773      6.725269      8.332172
  H      -5.806904      4.407464      9.066944
  H      -6.835160      1.352612      6.206203
  H      -6.810853      0.479381      7.745015
  H      -8.741133      2.114742      6.558676
  H     -10.930265      4.210855      5.247664
  N      -4.173634      2.053524      3.617053
  H      -4.915546      2.666439      3.280132
  H      -3.712194      1.554108      2.861131
95
Coordinates from ORCA-job orca E -6661.171624711440
  N      -2.782406      0.182862      4.799146
  Mo     -3.784306      1.831013      5.556904
  N      -4.907533      0.869258      6.904926
  C      -4.294087      0.195445      8.050556
  C      -2.813609     -0.031401      7.790541
  N      -2.239571      1.159129      7.111467
  C      -1.026361      0.819369      6.341002
  C      -1.418141     -0.104761      5.189361
  C      -2.002597      2.289583      8.040821
  C      -1.928609      3.561138      7.214911
  N      -3.015311      3.506459      6.247273
  H      -0.680748      0.042096      4.371151
  H      -1.321377     -1.165130      5.491339
  H      -0.603949      1.756526      5.957316
  H      -0.268640      0.347498      6.991234
  H      -2.055561      4.431876      7.879701
  H      -0.946123      3.686009      6.722328
  H      -2.879214      2.351513      8.698716
  H      -1.099650      2.110331      8.650537
  H      -4.777711     -0.782135      8.240416
  H      -4.438412      0.802412      8.960891
  H      -2.679067     -0.888713      7.122753
  H      -2.268711     -0.240476      8.726978
  C      -0.252685      0.171793     -2.282095
  C      -1.738107      0.011649     -2.086638
  O      -2.495268      0.041235     -3.052240
  C      -2.313771     -0.191387     -0.704931
  C      -3.700543     -0.338113     -0.634988
  C      -4.378342     -0.537358      0.569907
  O      -5.715374     -0.669905      0.549035
  C      -3.629941     -0.593909      1.779545
  C      -4.330333     -0.847214      3.046098
  O      -5.559060     -1.059804      3.056319
  C      -3.581955     -0.955456      4.378951
  C      -2.230628     -0.449939      1.709555
  C      -1.567593     -0.247790      0.505089
  O      -0.205227     -0.104179      0.475205
  C      -9.374094      9.443002      4.571989
  C      -9.383249      7.993741      4.161220
  O     -10.425614      7.532039      3.592611
  C      -8.254488      7.146858      4.440734
  C      -7.060605      7.632865      5.041411
  C      -6.004935      6.804820      5.350198
  O      -4.853005      7.286969      5.928171
  C      -6.087013      5.391424      5.115845
  C      -5.094949      4.464844      5.523794
  O      -5.372823      3.181236      5.511401
  C      -3.712213      4.773258      6.028322
  C      -7.276776      4.906684      4.495198
  C      -8.325168      5.742011      4.153729
  O      -9.441098      5.226703      3.582994
  C     -11.960540      6.078582      6.288809
  C     -10.653763      6.392954      6.972460
  O     -10.445748      7.526441      7.398987
  C      -9.610999      5.321562      7.167598
  C      -8.505413      5.692645      7.940758
  C      -7.483127      4.798922      8.254811
  O      -6.447544      5.232957      9.000990
  C      -7.544818      3.464831      7.752236
  C      -6.387428      2.585889      7.927939
  O      -5.441312      2.930303      8.670300
  C      -6.283058      1.263532      7.158159
  C      -8.653997      3.096818      6.974834
  C      -9.668830      3.992595      6.662936
  O     -10.660514      3.497902      5.855535
  H       0.123193      1.039642     -1.721759
  H      -0.054453      0.292354     -3.352592
  H       0.283595     -0.702112     -1.885933
  H      -4.266742     -0.300973     -1.566515
  H      -5.973778     -0.848771      1.508542
  H      -4.377354     -1.172915      5.116893
  H      -2.946100     -1.859287      4.308559
  H      -1.656987     -0.484834      2.635788
  H       0.122966     -0.140835      1.392186
  H      -9.359304      9.524434      5.670160
  H      -8.490731      9.971561      4.184549
  H     -10.280173      9.929101      4.193639
  H      -6.977440      8.696982      5.273700
  H      -4.964611      8.244078      6.070601
  H      -3.168235      5.413088      5.306708
  H      -3.759379      5.351439      6.969594
  H      -7.367181      3.839859      4.298359
  H     -10.029924      6.060100      3.418230
  H     -11.800776      6.026734      5.197546
  H     -12.382265      5.124039      6.630249
  H     -12.660847      6.900303      6.475543
  H      -8.456126      6.716959      8.309630
  H      -5.842112      4.428514      9.082432
  H      -6.827581      1.359220      6.213353
  H      -6.803126      0.486079      7.752191
  H      -8.719992      2.100049      6.540709
  H     -10.908467      4.170066      5.194460
  N      -4.173521      2.061531      3.621468
  H      -4.916466      2.673938      3.285827
  H      -3.712328      1.563358      2.864513
95
Coordinates from ORCA-job orca E -6661.171694751889
  N      -2.781979      0.191439      4.801148
  Mo     -3.789275      1.831934      5.566301
  N      -4.909506      0.855595      6.906731
  C      -4.294854      0.178798      8.049615
  C      -2.812779     -0.039737      7.790923
  N      -2.243177      1.156898      7.119140
  C      -1.028367      0.826405      6.347463
  C      -1.416010     -0.091491      5.189156
  C      -2.012447      2.283472      8.054650
  C      -1.940120      3.559607      7.235626
  N      -3.023123      3.506304      6.263863
  H      -0.679531      0.064969      4.371947
  H      -1.313895     -1.153462      5.483483
  H      -0.608441      1.767332      5.970434
  H      -0.269531      0.352515      6.994944
  H      -2.072858      4.426299      7.904623
  H      -0.956250      3.691046      6.747432
  H      -2.891474      2.339286      8.709944
  H      -1.111035      2.104044      8.666602
  H      -4.773810     -0.802215      8.233704
  H      -4.443508      0.780071      8.963044
  H      -2.673133     -0.892981      7.118961
  H      -2.268738     -0.251426      8.727263
  C      -0.261441      0.176491     -2.290135
  C      -1.746775      0.019316     -2.091352
  O      -2.505832      0.047941     -3.055443
  C      -2.319630     -0.182077     -0.708225
  C      -3.705830     -0.331618     -0.635378
  C      -4.381108     -0.529737      0.571063
  O      -5.717967     -0.664571      0.552739
  C      -3.630470     -0.583052      1.779236
  C      -4.328349     -0.838047      3.046962
  O      -5.556389     -1.053914      3.058630
  C      -3.577618     -0.948678      4.378428
  C      -2.231497     -0.436124      1.706594
  C      -1.571040     -0.234234      0.500643
  O      -0.209325     -0.086809      0.468086
  C      -9.392314      9.426491      4.517184
  C      -9.389182      7.973665      4.119096
  O     -10.420223      7.504591      3.535566
  C      -8.260788      7.132634      4.417783
  C      -7.073098      7.624463      5.027050
  C      -6.017998      6.799926      5.349011
  O      -4.871549      7.286472      5.934137
  C      -6.094680      5.385251      5.120775
  C      -5.102996      4.462246      5.537129
  O      -5.380165      3.178550      5.530248
  C      -3.720553      4.772781      6.042647
  C      -7.278854      4.894917      4.493691
  C      -8.325873      5.725999      4.139451
  O      -9.437359      5.205814      3.563832
  C     -11.932948      6.114995      6.315154
  C     -10.619517      6.412917      6.992947
  O     -10.393339      7.543253      7.418405
  C      -9.586491      5.330133      7.178617
  C      -8.479370      5.687106      7.954878
  C      -7.467075      4.782294      8.267339
  O      -6.429387      5.204356      9.017063
  C      -7.541195      3.450393      7.760763
  C      -6.390615      2.562276      7.935408
  O      -5.442456      2.901477      8.677415
  C      -6.286635      1.243054      7.160341
  C      -8.651683      3.096584      6.978398
  C      -9.655741      4.004609      6.665720
  O     -10.647096      3.526166      5.847377
  H       0.116405      1.046524     -1.734541
  H      -0.065108      0.291947     -3.361537
  H       0.274296     -0.696231     -1.890703
  H      -4.273838     -0.297786     -1.565949
  H      -5.974551     -0.841969      1.512812
  H      -4.371209     -1.171175      5.116770
  H      -2.938455     -1.849851      4.304087
  H      -1.656930     -0.467671      2.632347
  H       0.120523     -0.119023      1.384654
  H      -9.393758      9.518336      5.614145
  H      -8.505872      9.955586      4.137526
  H     -10.294960      9.905168      4.121580
  H      -6.993868      8.690140      5.253435
  H      -4.984773      8.244459      6.069138
  H      -3.176712      5.410631      5.319148
  H      -3.767985      5.353499      6.982328
  H      -7.365267      3.826914      4.301637
  H     -10.025376      6.038705      3.390307
  H     -11.780684      6.075604      5.222404
  H     -12.356793      5.158048      6.646447
  H     -12.626746      6.938685      6.516984
  H      -8.421209      6.709069      8.328920
  H      -5.831704      4.394025      9.097941
  H      -6.832529      1.339898      6.216459
  H      -6.804188      0.462452      7.752452
  H      -8.725551      2.102695      6.538984
  H     -10.861949      4.195851      5.171282
  N      -4.180534      2.072626      3.632786
  H      -4.925692      2.684796      3.301388
  H      -3.718576      1.580656      2.872175
95
Coordinates from ORCA-job orca E -6661.171760220367
  N      -2.784979      0.177491      4.811792
  Mo     -3.789105      1.820750      5.570781
  N      -4.907438      0.847538      6.915653
  C      -4.291645      0.173603      8.059330
  C      -2.809016     -0.043925      7.800943
  N      -2.240700      1.150558      7.124432
  C      -1.027110      0.817407      6.352202
  C      -1.416690     -0.101440      5.194779
  C      -2.009793      2.280642      8.055558
  C      -1.936500      3.553657      7.231808
  N      -3.019596      3.497760      6.260205
  H      -0.683938      0.057935      4.374968
  H      -1.310790     -1.163270      5.487976
  H      -0.605689      1.757087      5.973906
  H      -0.268444      0.342981      6.999490
  H      -2.068777      4.422781      7.897726
  H      -0.952664      3.683133      6.743030
  H      -2.889606      2.339476      8.709618
  H      -1.109250      2.102931      8.669285
  H      -4.768951     -0.807927      8.245274
  H      -4.441115      0.775952      8.971872
  H      -2.668468     -0.899735      7.132484
  H      -2.264762     -0.251474      8.738055
  C      -0.288173      0.228751     -2.277632
  C      -1.772752      0.067944     -2.075665
  O      -2.534987      0.105806     -3.036842
  C      -2.340733     -0.149100     -0.692834
  C      -3.725857     -0.305510     -0.617274
  C      -4.396853     -0.517508      0.589131
  O      -5.732926     -0.660046      0.572684
  C      -3.642643     -0.578186      1.794457
  C      -4.336166     -0.845790      3.062099
  O      -5.566111     -1.049348      3.078020
  C      -3.581573     -0.962464      4.390912
  C      -2.244387     -0.424696      1.719330
  C      -1.588188     -0.208845      0.513435
  O      -0.227605     -0.054009      0.478325
  C      -9.391617      9.411749      4.494445
  C      -9.386081      7.957600      4.101690
  O     -10.414868      7.485200      3.516482
  C      -8.257294      7.118765      4.404260
  C      -7.070290      7.613026      5.012859
  C      -6.015064      6.789648      5.337765
  O      -4.869890      7.277791      5.923698
  C      -6.091071      5.374470      5.113077
  C      -5.100010      4.452433      5.532842
  O      -5.378531      3.169395      5.532262
  C      -3.716572      4.763840      6.035119
  C      -7.275034      4.881822      4.487140
  C      -8.321906      5.711493      4.130430
  O      -9.435227      5.189899      3.558493
  C     -11.916935      6.119372      6.301906
  C     -10.600852      6.419369      6.973370
  O     -10.372637      7.550541      7.395522
  C      -9.570652      5.334816      7.164981
  C      -8.466256      5.689300      7.946300
  C      -7.458627      4.781215      8.264736
  O      -6.420362      5.202074      9.014226
  C      -7.535835      3.447772      7.762318
  C      -6.388324      2.557363      7.941744
  O      -5.443403      2.893700      8.689520
  C      -6.284372      1.236512      7.168813
  C      -8.644040      3.096916      6.974957
  C      -9.641469      4.008987      6.653581
  O     -10.627719      3.537197      5.824988
  H       0.089830      1.095500     -1.717064
  H      -0.095426      0.352227     -3.348783
  H       0.249919     -0.645932     -1.885826
  H      -4.296687     -0.266743     -1.545954
  H      -5.985959     -0.851996      1.530551
  H      -4.373092     -1.185511      5.131225
  H      -2.942602     -1.863356      4.312639
  H      -1.668026     -0.460978      2.643832
  H       0.105149     -0.090970      1.393672
  H      -9.394069      9.507941      5.591021
  H      -8.505448      9.940353      4.113408
  H     -10.294400      9.887955      4.096218
  H      -6.991996      8.679314      5.236478
  H      -4.983369      8.236066      6.056361
  H      -3.173928      5.398138      5.307544
  H      -3.761866      5.348763      6.972264
  H      -7.361180      3.813141      4.298966
  H     -10.021931      6.023834      3.381564
  H     -11.771548      6.089575      5.207980
  H     -12.331800      5.156523      6.626831
  H     -12.614109      6.937344      6.515306
  H      -8.405839      6.711912      8.318127
  H      -5.823822      4.390943      9.095499
  H      -6.830485      1.331848      6.224940
  H      -6.802641      0.457439      7.762337
  H      -8.719267      2.102707      6.536537
  H     -10.806930      4.198022      5.129013
  N      -4.183102      2.055336      3.637241
  H      -4.926550      2.669423      3.305307
  H      -3.729796      1.553615      2.877608
95
Coordinates from ORCA-job orca E -6661.171927064369
  N      -2.784719      0.181257      4.822468
  Mo     -3.788267      1.821527      5.580657
  N      -4.900344      0.839944      6.925706
  C      -4.280165      0.163069      8.064838
  C      -2.795301     -0.044315      7.805668
  N      -2.233521      1.154174      7.130743
  C      -1.020731      0.827669      6.354901
  C      -1.410216     -0.085482      5.192019
  C      -2.007218      2.284198      8.062742
  C      -1.935818      3.557944      7.239828
  N      -3.017942      3.500651      6.267098
  H      -0.686159      0.089281      4.367949
  H      -1.291547     -1.148619      5.474832
  H      -0.600540      1.769851      5.981818
  H      -0.260311      0.350254      6.997925
  H      -2.071008      4.426032      7.906517
  H      -0.952063      3.691090      6.751878
  H      -2.889227      2.340438      8.714254
  H      -1.108197      2.108233      8.679211
  H      -4.750572     -0.823014      8.244962
  H      -4.433839      0.758286      8.981248
  H      -2.649532     -0.898598      7.136414
  H      -2.250223     -0.250126      8.742639
  C      -0.329937      0.227724     -2.285038
  C      -1.814276      0.079054     -2.071481
  O      -2.584104      0.128444     -3.025915
  C      -2.372624     -0.139689     -0.684863
  C      -3.757057     -0.293791     -0.599189
  C      -4.420013     -0.505238      0.611639
  O      -5.756620     -0.643088      0.603943
  C      -3.657355     -0.569967      1.810975
  C      -4.342465     -0.840274      3.082937
  O      -5.573519     -1.034284      3.108497
  C      -3.578324     -0.962396      4.406040
  C      -2.259079     -0.418853      1.726242
  C      -1.611093     -0.201579      0.516115
  O      -0.251328     -0.046688      0.471347
  C      -9.382639      9.418819      4.505497
  C      -9.379522      7.965313      4.111568
  O     -10.408488      7.493838      3.525043
  C      -8.253466      7.124249      4.415349
  C      -7.065893      7.616148      5.023854
  C      -6.013003      6.790283      5.349192
  O      -4.868311      7.275731      5.937513
  C      -6.091539      5.375426      5.123967
  C      -5.101513      4.452472      5.544649
  O      -5.379507      3.169506      5.548507
  C      -3.716593      4.765410      6.041737
  C      -7.277714      4.884725      4.499133
  C      -8.322572      5.717225      4.143567
  O      -9.443188      5.200306      3.578524
  C     -11.896675      6.090275      6.236519
  C     -10.586040      6.403426      6.911965
  O     -10.368010      7.537402      7.332198
  C      -9.554585      5.323315      7.123680
  C      -8.468060      5.677141      7.930786
  C      -7.466844      4.767850      8.268511
  O      -6.440742      5.188099      9.034804
  C      -7.534565      3.434071      7.765275
  C      -6.389578      2.545266      7.958279
  O      -5.455126      2.877983      8.721247
  C      -6.277371      1.228049      7.179620
  C      -8.625835      3.085103      6.953659
  C      -9.611871      3.999026      6.607658
  O     -10.571954      3.537482      5.743234
  H       0.058639      1.093307     -1.729948
  H      -0.144902      0.347045     -3.358006
  H       0.204144     -0.649881     -1.894472
  H      -4.334657     -0.253421     -1.523671
  H      -6.004458     -0.835480      1.562529
  H      -4.363721     -1.189552      5.151394
  H      -2.935316     -1.859640      4.320897
  H      -1.677984     -0.456284      2.647755
  H       0.088244     -0.080735      1.384320
  H      -9.382862      9.514850      5.602008
  H      -8.496008      9.945778      4.123113
  H     -10.284962      9.897139      4.108823
  H      -6.985926      8.682230      5.247490
  H      -4.979612      8.234222      6.070359
  H      -3.177876      5.398416      5.309905
  H      -3.758757      5.352902      6.977340
  H      -7.366870      3.815942      4.313181
  H     -10.024234      6.040057      3.398871
  H     -11.752172      6.085095      5.142227
  H     -12.288840      5.111343      6.539510
  H     -12.609894      6.889485      6.467854
  H      -8.415777      6.699234      8.305178
  H      -5.843759      4.378041      9.122328
  H      -6.821308      1.326563      6.234928
  H      -6.796686      0.446127      7.768579
  H      -8.690636      2.092336      6.510447
  H     -10.667554      4.176169      5.009464
  N      -4.186489      2.059604      3.648854
  H      -4.930824      2.674750      3.320449
  H      -3.742371      1.552907      2.886873
95
Coordinates from ORCA-job orca E -6661.172050678736
  N      -2.784971      0.186431      4.830309
  Mo     -3.789779      1.821832      5.589315
  N      -4.898088      0.828856      6.930037
  C      -4.275588      0.147348      8.064708
  C      -2.787998     -0.049305      7.807579
  N      -2.231759      1.154475      7.137772
  C      -1.018271      0.836548      6.359912
  C      -1.405259     -0.068591      5.188951
  C      -2.012373      2.282649      8.073363
  C      -1.941247      3.558953      7.254285
  N      -3.019573      3.501831      6.277246
  H      -0.688161      0.123047      4.362853
  H      -1.274463     -1.133342      5.459493
  H      -0.598875      1.782045      5.994738
  H      -0.257104      0.355058      6.999016
  H      -2.081763      4.424425      7.923304
  H      -0.956240      3.697468      6.770323
  H      -2.898040      2.334748      8.720421
  H      -1.116292      2.107401      8.694326
  H      -4.739205     -0.843595      8.236397
  H      -4.435356      0.733814      8.985618
  H      -2.635515     -0.900748      7.136235
  H      -2.244077     -0.255206      8.745162
  C      -0.356501      0.227988     -2.291137
  C      -1.840900      0.091494     -2.069235
  O      -2.616042      0.152322     -3.018544
  C      -2.392769     -0.127922     -0.680001
  C      -3.776581     -0.280061     -0.587274
  C      -4.434246     -0.490325      0.626516
  O      -5.771274     -0.623860      0.624532
  C      -3.665942     -0.558274      1.821613
  C      -4.345416     -0.831605      3.096302
  O      -5.577390     -1.016782      3.128662
  C      -3.574816     -0.960336      4.415305
  C      -2.267536     -0.409074      1.730416
  C      -1.625050     -0.190798      0.517478
  O      -0.266158     -0.035248      0.466109
  C      -9.394746      9.401522      4.482914
  C      -9.383254      7.947267      4.091937
  O     -10.406564      7.469426      3.499675
  C      -8.257069      7.110630      4.405081
  C      -7.074054      7.607919      5.018153
  C      -6.020556      6.785754      5.350921
  O      -4.881278      7.274855      5.945814
  C      -6.093766      5.370610      5.128212
  C      -5.104123      4.450646      5.554269
  O      -5.381843      3.168381      5.564055
  C      -3.718600      4.765816      6.048854
  C      -7.276581      4.874296      4.500910
  C      -8.321727      5.702315      4.139187
  O      -9.443002      5.179948      3.577204
  C     -11.868987      6.103242      6.223840
  C     -10.555582      6.415471      6.893527
  O     -10.335689      7.547286      7.317798
  C      -9.529067      5.331125      7.109694
  C      -8.454127      5.671282      7.937592
  C      -7.464541      4.751805      8.283051
  O      -6.444745      5.160430      9.063548
  C      -7.534167      3.420880      7.771753
  C      -6.395196      2.526424      7.970836
  O      -5.469348      2.849599      8.748642
  C      -6.276334      1.214001      7.183851
  C      -8.614899      3.086940      6.938696
  C      -9.584938      4.012926      6.579755
  O     -10.526820      3.577238      5.681773
  H       0.041231      1.092896     -1.741512
  H      -0.176841      0.342257     -3.365553
  H       0.172776     -0.652048     -1.899707
  H      -4.358799     -0.239011     -1.508898
  H      -6.016124     -0.816173      1.583362
  H      -4.355826     -1.192052      5.163629
  H      -2.927855     -1.853997      4.323998
  H      -1.683954     -0.446649      2.650375
  H       0.078100     -0.065095      1.377500
  H      -9.399504      9.501662      5.578966
  H      -8.508631      9.930874      4.102478
  H     -10.297161      9.875365      4.081159
  H      -6.998924      8.674810      5.239224
  H      -4.994967      8.233478      6.075519
  H      -3.182131      5.395929      5.312626
  H      -3.758893      5.357579      6.981755
  H      -7.362078      3.804463      4.319574
  H     -10.023041      6.019798      3.388101
  H     -11.735865      6.130453      5.128549
  H     -12.241918      5.109444      6.499950
  H     -12.590248      6.885820      6.485670
  H      -8.401058      6.689862      8.321250
  H      -5.852156      4.347128      9.150095
  H      -6.819045      1.316573      6.239002
  H      -6.795674      0.427867      7.767274
  H      -8.678390      2.099021      6.484692
  H     -10.535359      4.194667      4.921163
  N      -4.189159      2.067193      3.659139
  H      -4.934251      2.683548      3.334227
  H      -3.751918      1.558247      2.894427
95
Coordinates from ORCA-job orca E -6661.172080463551
  N      -2.785451      0.189848      4.831570
  Mo     -3.793217      1.821318      5.589081
  N      -4.902544      0.820987      6.924458
  C      -4.280669      0.133538      8.055643
  C      -2.790623     -0.055064      7.803457
  N      -2.237124      1.153109      7.139975
  C      -1.020873      0.842549      6.363614
  C      -1.402638     -0.055840      5.184936
  C      -2.025796      2.279081      8.080020
  C      -1.953594      3.558280      7.265640
  N      -3.026523      3.501877      6.282424
  H      -0.689048      0.149501      4.359350
  H      -1.262770     -1.121720      5.445816
  H      -0.601501      1.790893      6.006141
  H      -0.260746      0.357919      7.001579
  H      -2.100117      4.420809      7.937161
  H      -0.966617      3.701941      6.787214
  H      -2.915651      2.326900      8.721777
  H      -1.133302      2.104160      8.706231
  H      -4.739765     -0.861282      8.217523
  H      -4.447291      0.711394      8.980649
  H      -2.631523     -0.903752      7.130206
  H      -2.249806     -0.261958      8.742580
  C      -0.350530      0.217062     -2.293689
  C      -1.835868      0.093089     -2.070278
  O      -2.611721      0.164478     -3.018162
  C      -2.388001     -0.124734     -0.680779
  C      -3.771973     -0.272053     -0.587264
  C      -4.430233     -0.479090      0.626666
  O      -5.767872     -0.605847      0.624617
  C      -3.661846     -0.550641      1.821225
  C      -4.341825     -0.824227      3.095816
  O      -5.574791     -1.001090      3.129424
  C      -3.570953     -0.959165      4.414228
  C      -2.262677     -0.406175      1.729748
  C      -1.619788     -0.189435      0.516695
  O      -0.261057     -0.036778      0.464568
  C      -9.435973      9.360643      4.446081
  C      -9.402370      7.907321      4.053699
  O     -10.413091      7.416789      3.449521
  C      -8.271770      7.082217      4.380144
  C      -7.099410      7.590275      5.005197
  C      -6.041775      6.776869      5.347682
  O      -4.913628      7.274007      5.956119
  C      -6.100955      5.361950      5.122010
  C      -5.110312      4.447031      5.553416
  O      -5.385909      3.165668      5.562531
  C      -3.726453      4.765022      6.051142
  C      -7.274348      4.855294      4.485771
  C      -8.322042      5.673544      4.114938
  O      -9.437019      5.140852      3.547853
  C     -11.842257      6.162306      6.276816
  C     -10.516070      6.459022      6.927790
  O     -10.281609      7.584320      7.361867
  C      -9.500054      5.362256      7.129825
  C      -8.426696      5.677492      7.968895
  C      -7.451221      4.740807      8.307109
  O      -6.428984      5.127756      9.094998
  C      -7.533815      3.416152      7.780914
  C      -6.403557      2.510264      7.976378
  O      -5.481682      2.819184      8.765059
  C      -6.282421      1.203091      7.179058
  C      -8.613434      3.108136      6.934195
  C      -9.567182      4.053500      6.578714
  O     -10.503610      3.653935      5.657138
  H       0.054209      1.080675     -1.747128
  H      -0.171224      0.326893     -3.368618
  H       0.171982     -0.665767     -1.899609
  H      -4.354504     -0.229613     -1.508691
  H      -6.014292     -0.796174      1.583114
  H      -4.351080     -1.194814      5.162035
  H      -2.920491     -1.849856      4.320068
  H      -1.680225     -0.444326      2.650436
  H       0.084027     -0.063998      1.375760
  H      -9.452434      9.460539      5.542157
  H      -8.552564      9.900831      4.074504
  H     -10.339935      9.824008      4.035720
  H      -7.036817      8.657563      5.227869
  H      -5.036491      8.231344      6.086881
  H      -3.190189      5.394354      5.313769
  H      -3.768807      5.359761      6.981946
  H      -7.349128      3.784539      4.305264
  H     -10.019808      5.977554      3.350226
  H     -11.733135      6.225275      5.180345
  H     -12.203401      5.157398      6.525713
  H     -12.560698      6.932599      6.580135
  H      -8.363704      6.689711      8.367546
  H      -5.844953      4.307373      9.171393
  H      -6.825744      1.310930      6.235287
  H      -6.800974      0.412110      7.756693
  H      -8.685726      2.127946      6.465062
  H     -10.442399      4.255275      4.882955
  N      -4.185989      2.073619      3.658765
  H      -4.930398      2.691004      3.333871
  H      -3.751021      1.563269      2.893491
95
Coordinates from ORCA-job orca E -6661.172098256830
  N      -2.784607      0.198431      4.819220
  Mo     -3.786944      1.837241      5.574217
  N      -4.897265      0.855096      6.922851
  C      -4.272481      0.163487      8.050625
  C      -2.785361     -0.033154      7.790636
  N      -2.229142      1.170395      7.120825
  C      -1.015544      0.852647      6.342476
  C      -1.403071     -0.053437      5.172521
  C      -2.008683      2.298555      8.056599
  C      -1.940368      3.575302      7.238003
  N      -3.020849      3.517807      6.262699
  H      -0.688570      0.139523      4.344664
  H      -1.269203     -1.117579      5.443727
  H      -0.597377      1.798328      5.976443
  H      -0.253947      0.372467      6.981970
  H      -2.079491      4.439866      7.908332
  H      -0.956964      3.715083      6.751307
  H      -2.891918      2.349819      8.707022
  H      -1.110550      2.124042      8.674773
  H      -4.736619     -0.828894      8.212948
  H      -4.432352      0.741644      8.976455
  H      -2.634821     -0.883936      7.118146
  H      -2.239706     -0.240713      8.726816
  C      -0.321895      0.119397     -2.304757
  C      -1.808452      0.005576     -2.085151
  O      -2.580738      0.070356     -3.036530
  C      -2.367179     -0.189350     -0.694894
  C      -3.753111     -0.320557     -0.604291
  C      -4.417306     -0.506881      0.609832
  O      -5.756027     -0.620765      0.605392
  C      -3.653400     -0.571895      1.808144
  C      -4.339602     -0.822626      3.083675
  O      -5.573753     -0.993119      3.115259
  C      -3.574266     -0.949816      4.405881
  C      -2.252542     -0.443520      1.719360
  C      -1.603720     -0.248891      0.505722
  O      -0.242871     -0.114034      0.455135
  C      -9.404638      9.422640      4.594187
  C      -9.392205      7.981310      4.160260
  O     -10.416429      7.515038      3.559918
  C      -8.265359      7.138881      4.454228
  C      -7.084307      7.627039      5.075961
  C      -6.028738      6.801169      5.390546
  O      -4.892928      7.281780      5.997213
  C      -6.098516      5.391360      5.136129
  C      -5.106635      4.466062      5.544516
  O      -5.379852      3.183769      5.537460
  C      -3.720461      4.780638      6.035283
  C      -7.282958      4.903181      4.504172
  C      -8.328651      5.736837      4.158920
  O      -9.454564      5.225136      3.592872
  C     -11.908847      6.058113      6.216228
  C     -10.593847      6.398765      6.870029
  O     -10.394826      7.537693      7.288311
  C      -9.549623      5.333509      7.090018
  C      -8.491697      5.677399      7.941023
  C      -7.498152      4.763778      8.294621
  O      -6.494850      5.173284      9.096485
  C      -7.544064      3.436213      7.769903
  C      -6.405867      2.547100      7.981400
  O      -5.488889      2.867102      8.771541
  C      -6.275715      1.240510      7.184041
  C      -8.604447      3.102214      6.909568
  C      -9.576053      4.021931      6.541942
  O     -10.489341      3.597650      5.610516
  H       0.086382      0.984456     -1.762996
  H      -0.138172      0.220278     -3.379830
  H       0.194640     -0.763423     -1.902686
  H      -4.332216     -0.282479     -1.528067
  H      -6.006999     -0.796428      1.566151
  H      -4.357524     -1.177478      5.152803
  H      -2.926993     -1.843740      4.321257
  H      -1.671474     -0.476442      2.641163
  H       0.100743     -0.138494      1.366991
  H      -9.405185      9.489497      5.694206
  H      -8.519999      9.963927      4.227013
  H     -10.308726      9.907348      4.209516
  H      -7.013927      8.688765      5.321527
  H      -5.013314      8.235578      6.153765
  H      -3.187125      5.412084      5.297147
  H      -3.758213      5.375640      6.965953
  H      -7.367323      3.836353      4.305127
  H     -10.033639      6.070824      3.417892
  H     -11.797326      6.103223      5.118555
  H     -12.250059      5.050618      6.483170
  H     -12.647293      6.816067      6.502588
  H      -8.458697      6.691331      8.339050
  H      -5.897242      4.364221      9.186175
  H      -6.819538      1.347150      6.240692
  H      -6.792009      0.448333      7.762088
  H      -8.649208      2.119299      6.442708
  H     -10.440012      4.210792      4.843597
  N      -4.174834      2.082505      3.641489
  H      -4.918279      2.697901      3.310967
  H      -3.733168      1.571908      2.880323
95
Coordinates from ORCA-job orca E -6661.172369602404
  N      -2.783914      0.201487      4.807003
  Mo     -3.790771      1.840991      5.559349
  N      -4.904760      0.865369      6.910014
  C      -4.281992      0.171141      8.037520
  C      -2.795800     -0.027606      7.778726
  N      -2.237988      1.175651      7.109673
  C      -1.021591      0.857688      6.335338
  C      -1.404968     -0.052875      5.168101
  C      -2.019254      2.303868      8.046379
  C      -1.953806      3.581307      7.228719
  N      -3.034378      3.522324      6.253241
  H      -0.685429      0.133844      4.343075
  H      -1.274851     -1.115910      5.445708
  H      -0.605128      1.803278      5.966933
  H      -0.260771      0.381669      6.978801
  H      -2.093888      4.445199      7.899633
  H      -0.970837      3.722471      6.741644
  H      -2.901232      2.352976      8.698543
  H      -1.119638      2.130892      8.662798
  H      -4.748694     -0.820368      8.197537
  H      -4.442111      0.748746      8.963612
  H      -2.645894     -0.878091      7.105746
  H      -2.250706     -0.236184      8.715018
  C      -0.272676      0.073735     -2.306176
  C      -1.760511     -0.038987     -2.095664
  O      -2.526514      0.019364     -3.052616
  C      -2.328847     -0.222725     -0.707804
  C      -3.716122     -0.346450     -0.625355
  C      -4.388839     -0.522545      0.585656
  O      -5.728069     -0.629239      0.574033
  C      -3.632773     -0.584065      1.789481
  C      -4.327845     -0.824445      3.061863
  O      -5.561764     -0.999301      3.085407
  C      -3.571804     -0.946916      4.389749
  C      -2.230882     -0.462932      1.708698
  C      -1.573557     -0.279285      0.497947
  O      -0.211415     -0.153300      0.454669
  C      -9.440114      9.420786      4.607516
  C      -9.413548      7.984090      4.160832
  O     -10.431127      7.515904      3.551306
  C      -8.282882      7.145023      4.454265
  C      -7.105983      7.629546      5.086648
  C      -6.049525      6.801956      5.397314
  O      -4.916978      7.278570      6.013084
  C      -6.115132      5.394541      5.127162
  C      -5.121116      4.467092      5.529851
  O      -5.387804      3.183713      5.507207
  C      -3.737860      4.783260      6.027347
  C      -7.296560      4.910699      4.485442
  C      -8.341520      5.747390      4.142986
  O      -9.464256      5.244481      3.563818
  C     -11.910494      6.095802      6.275194
  C     -10.589485      6.418728      6.927103
  O     -10.379568      7.552832      7.357001
  C      -9.550265      5.346950      7.129268
  C      -8.485298      5.682849      7.975117
  C      -7.490698      4.766384      8.314296
  O      -6.482012      5.168094      9.113810
  C      -7.540700      3.443853      7.777759
  C      -6.405739      2.551066      7.978759
  O      -5.483513      2.863488      8.766006
  C      -6.282900      1.247930      7.174697
  C      -8.606741      3.116893      6.922087
  C      -9.582063      4.038398      6.570819
  O     -10.504131      3.616153      5.647650
  H       0.132739      0.939760     -1.763736
  H      -0.081791      0.171895     -3.380263
  H       0.241212     -0.808295     -1.898893
  H      -4.289165     -0.310264     -1.552964
  H      -5.985693     -0.794823      1.535309
  H      -4.360148     -1.172867      5.131800
  H      -2.924372     -1.841400      4.312528
  H      -1.654299     -0.493422      2.633386
  H       0.127135     -0.177267      1.368441
  H      -9.450186      9.475919      5.708154
  H      -8.556974      9.972607      4.252581
  H     -10.345175      9.901888      4.220585
  H      -7.039294      8.688610      5.344358
  H      -5.041688      8.229585      6.182723
  H      -3.203420      5.418964      5.293437
  H      -3.781080      5.376599      6.958747
  H      -7.378477      3.845918      4.274581
  H     -10.041829      6.093961      3.398657
  H     -11.803411      6.145144      5.176974
  H     -12.264278      5.091721      6.539548
  H     -12.639477      6.860370      6.568319
  H      -8.448752      6.693439      8.381334
  H      -5.885968      4.357000      9.194930
  H      -6.829066      1.357880      6.233170
  H      -6.798139      0.453564      7.750634
  H      -8.656206      2.137195      6.448992
  H     -10.482301      4.246259      4.893814
  N      -4.166604      2.084654      3.623634
  H      -4.909476      2.697350      3.287109
  H      -3.715669      1.576413      2.866442
95
Coordinates from ORCA-job orca E -6661.172584527309
  N      -2.783377      0.209050      4.806550
  Mo     -3.796869      1.840949      5.559803
  N      -4.912055      0.848873      6.897517
  C      -4.292225      0.152337      8.024731
  C      -2.802582     -0.036025      7.774769
  N      -2.247885      1.173514      7.115136
  C      -1.027331      0.865930      6.344223
  C      -1.402424     -0.035919      5.166565
  C      -2.041198      2.297714      8.058870
  C      -1.974138      3.579567      7.248739
  N      -3.046597      3.521699      6.264723
  H      -0.683828      0.166371      4.344539
  H      -1.263756     -1.100841      5.432481
  H      -0.610771      1.815514      5.986500
  H      -0.268217      0.385605      6.986536
  H      -2.124152      4.439087      7.923264
  H      -0.987907      3.728336      6.770516
  H      -2.929663      2.339774      8.702796
  H      -1.146884      2.125025      8.683043
  H      -4.753089     -0.843179      8.177045
  H      -4.461688      0.723487      8.953345
  H      -2.642795     -0.882930      7.099494
  H      -2.262852     -0.245482      8.713946
  C      -0.264478      0.076950     -2.308517
  C      -1.752798     -0.030025     -2.097689
  O      -2.518367      0.024531     -3.055063
  C      -2.321136     -0.214009     -0.709846
  C      -3.707790     -0.341704     -0.627407
  C      -4.380631     -0.517203      0.583530
  O      -5.719551     -0.627858      0.571222
  C      -3.625064     -0.575344      1.787067
  C      -4.321078     -0.817995      3.058602
  O      -5.555369     -0.988842      3.080523
  C      -3.566693     -0.941875      4.387894
  C      -2.223286     -0.450979      1.706823
  C      -1.565753     -0.266269      0.496387
  O      -0.204538     -0.134623      0.453861
  C      -9.463625      9.399853      4.532099
  C      -9.429279      7.957450      4.106533
  O     -10.433298      7.487054      3.476000
  C      -8.297669      7.124110      4.416404
  C      -7.126022      7.617387      5.053797
  C      -6.068530      6.795666      5.379672
  O      -4.940426      7.280997      5.997012
  C      -6.127056      5.385886      5.121579
  C      -5.133174      4.462670      5.533910
  O      -5.396496      3.178633      5.509955
  C      -3.751488      4.781546      6.035977
  C      -7.301276      4.893689      4.472841
  C      -8.347230      5.722686      4.117972
  O      -9.464303      5.207177      3.537551
  C     -11.876514      6.163460      6.343745
  C     -10.551595      6.450621      7.003180
  O     -10.306725      7.580119      7.426439
  C      -9.527812      5.359578      7.180297
  C      -8.451696      5.673647      8.018068
  C      -7.466682      4.741931      8.338275
  O      -6.448756      5.123375      9.135126
  C      -7.537803      3.425294      7.790584
  C      -6.407757      2.521693      7.974345
  O      -5.472349      2.829464      8.747726
  C      -6.290641      1.226051      7.159387
  C      -8.617031      3.118979      6.942912
  C      -9.582062      4.057610      6.605961
  O     -10.515692      3.658164      5.681673
  H       0.142803      0.946020     -1.772494
  H      -0.073558      0.166947     -3.383285
  H       0.246766     -0.803375     -1.894428
  H      -4.280705     -0.309480     -1.555265
  H      -5.977305     -0.795788      1.531300
  H      -4.356328     -1.168765      5.128021
  H      -2.916668     -1.834569      4.312020
  H      -1.648962     -0.479192      2.632814
  H       0.133121     -0.150078      1.368125
  H      -9.493722      9.470188      5.630130
  H      -8.574486      9.946812      4.184758
  H     -10.361691      9.875640      4.122909
  H      -7.063905      8.679289      5.300683
  H      -5.066949      8.233841      6.154534
  H      -3.216643      5.415321      5.300703
  H      -3.796709      5.376378      6.966237
  H      -7.376867      3.827244      4.268491
  H     -10.046417      6.052978      3.360932
  H     -11.762912      6.231614      5.247594
  H     -12.246953      5.160276      6.586025
  H     -12.592125      6.935769      6.649207
  H      -8.398158      6.679510      8.434014
  H      -5.863923      4.303374      9.208726
  H      -6.836748      1.343862      6.218800
  H      -6.806653      0.427883      7.729476
  H      -8.682511      2.144665      6.461167
  H     -10.456911      4.267502      4.909154
  N      -4.165397      2.096446      3.624483
  H      -4.909859      2.708780      3.290304
  H      -3.717710      1.588515      2.865000
95
Coordinates from ORCA-job orca E -6661.172410573125
  N      -2.783237      0.218850      4.807240
  Mo     -3.793151      1.850858      5.561920
  N      -4.905334      0.857088      6.900678
  C      -4.282688      0.158051      8.024941
  C      -2.792478     -0.027855      7.772422
  N      -2.239645      1.182632      7.112794
  C      -1.021271      0.876412      6.338457
  C      -1.399701     -0.022619      5.159328
  C      -2.031589      2.306232      8.056485
  C      -1.965510      3.588367      7.246714
  N      -3.039320      3.530818      6.264375
  H      -0.685676      0.184926      4.334725
  H      -1.256888     -1.088107      5.420714
  H      -0.604746      1.826558      5.982264
  H      -0.260788      0.393827      6.977455
  H      -2.115350      4.447345      7.922033
  H      -0.980008      3.738217      6.767287
  H      -2.919357      2.348025      8.701431
  H      -1.136735      2.133311      8.679825
  H      -4.741554     -0.838766      8.175142
  H      -4.451851      0.725919      8.955611
  H      -2.632906     -0.874245      7.096440
  H      -2.251124     -0.237494      8.710611
  C      -0.280065      0.035063     -2.317357
  C      -1.768503     -0.059552     -2.101230
  O      -2.536649     -0.005672     -3.056505
  C      -2.333597     -0.233791     -0.710787
  C      -3.720395     -0.354794     -0.623427
  C      -4.390609     -0.520404      0.590326
  O      -5.730059     -0.624652      0.582307
  C      -3.631861     -0.575997      1.791668
  C      -4.325509     -0.810569      3.066023
  O      -5.560609     -0.974182      3.091843
  C      -3.568366     -0.932960      4.394207
  C      -2.229643     -0.458685      1.706723
  C      -1.574713     -0.282863      0.493588
  O      -0.213364     -0.156916      0.446342
  C      -9.417775      9.444897      4.606561
  C      -9.413855      8.003705      4.174107
  O     -10.434243      7.551288      3.556352
  C      -8.288160      7.155266      4.462044
  C      -7.105295      7.638503      5.085125
  C      -6.050797      6.809656      5.397924
  O      -4.912731      7.287374      6.001929
  C      -6.121133      5.401103      5.139656
  C      -5.127810      4.473771      5.543040
  O      -5.392439      3.189778      5.519046
  C      -3.742103      4.790793      6.035044
  C      -7.305468      4.917184      4.501936
  C      -8.351001      5.753320      4.161217
  O      -9.478744      5.241679      3.594178
  C     -11.907290      6.076552      6.267925
  C     -10.595282      6.398503      6.936326
  O     -10.374925      7.539337      7.340693
  C      -9.552392      5.329225      7.135622
  C      -8.490772      5.664414      7.984467
  C      -7.495710      4.747586      8.321324
  O      -6.492270      5.147542      9.127765
  C      -7.543538      3.425986      7.781125
  C      -6.407475      2.532520      7.978155
  O      -5.475496      2.849725      8.751892
  C      -6.282385      1.237917      7.163327
  C      -8.608637      3.101230      6.922614
  C      -9.579471      4.025365      6.566559
  O     -10.491277      3.615285      5.625798
  H       0.134880      0.905510     -1.789514
  H      -0.092096      0.115422     -3.393397
  H       0.226204     -0.845497     -1.897762
  H      -4.295969     -0.325328     -1.549754
  H      -5.986091     -0.787062      1.543490
  H      -4.356894     -1.155668      5.136575
  H      -2.919298     -1.826494      4.320409
  H      -1.653596     -0.484971      2.631615
  H       0.127014     -0.165689      1.359682
  H      -9.427926      9.512146      5.705673
  H      -8.525450      9.978343      4.246613
  H     -10.314273      9.937535      4.214200
  H      -7.032785      8.699630      5.332429
  H      -5.030894      8.241057      6.160870
  H      -3.211113      5.420701      5.293556
  H      -3.779420      5.388904      6.963440
  H      -7.389635      3.851537      4.296845
  H     -10.061145      6.089112      3.419399
  H     -11.783947      6.139652      5.172716
  H     -12.256215      5.066482      6.512520
  H     -12.642870      6.834625      6.561572
  H      -8.456607      6.673207      8.395331
  H      -5.897282      4.336082      9.213889
  H      -6.826070      1.356892      6.221598
  H      -6.799772      0.439844      7.732468
  H      -8.654943      2.123927      6.444937
  H     -10.393888      4.204038      4.838050
  N      -4.164406      2.109249      3.627567
  H      -4.909968      2.721702      3.295810
  H      -3.722110      1.598837      2.866490
95
Coordinates from ORCA-job orca E -6661.172695244038
  N      -2.784869      0.222690      4.791512
  Mo     -3.797669      1.855448      5.540830
  N      -4.920909      0.863293      6.871788
  C      -4.307055      0.159394      7.997924
  C      -2.815721     -0.028264      7.755589
  N      -2.256932      1.182603      7.102216
  C      -1.033300      0.876373      6.336488
  C      -1.404144     -0.020254      5.152851
  C      -2.055221      2.304027      8.050075
  C      -1.984071      3.588482      7.244802
  N      -3.050361      3.533289      6.254343
  H      -0.683917      0.188645      4.333977
  H      -1.263866     -1.086397      5.413145
  H      -0.613015      1.826717      5.985178
  H      -0.278221      0.391638      6.980238
  H      -2.139924      4.445228      7.921616
  H      -0.995126      3.740468      6.773175
  H      -2.946996      2.343794      8.689518
  H      -1.164285      2.129823      8.678652
  H      -4.768790     -0.837072      8.141530
  H      -4.481856      0.724480      8.929128
  H      -2.652375     -0.873669      7.079239
  H      -2.281215     -0.240313      8.697158
  C      -0.199951     -0.028123     -2.309418
  C      -1.691343     -0.108927     -2.108712
  O      -2.448820     -0.052621     -3.072339
  C      -2.272858     -0.269592     -0.723435
  C      -3.661707     -0.375400     -0.650095
  C      -4.346541     -0.526867      0.557370
  O      -5.687017     -0.614237      0.535867
  C      -3.601112     -0.584396      1.767028
  C      -4.310341     -0.806982      3.034864
  O      -5.545811     -0.969709      3.046734
  C      -3.569076     -0.927642      4.372402
  C      -2.196926     -0.482324      1.696138
  C      -1.527351     -0.319909      0.489210
  O      -0.164294     -0.209083      0.455627
  C      -9.478121      9.418266      4.607286
  C      -9.450970      7.978580      4.173866
  O     -10.472341      7.506471      3.572710
  C      -8.311769      7.145597      4.454262
  C      -7.130381      7.635822      5.075638
  C      -6.068901      6.812534      5.383694
  O      -4.932540      7.296082      5.986708
  C      -6.130595      5.403976      5.120379
  C      -5.134852      4.477427      5.519868
  O      -5.396368      3.193398      5.483984
  C      -3.751855      4.793640      6.021053
  C      -7.312272      4.915633      4.480929
  C      -8.363498      5.746203      4.147284
  O      -9.490096      5.233174      3.579191
  C     -11.927553      6.142264      6.413766
  C     -10.588542      6.447621      7.033985
  O     -10.347467      7.579800      7.453270
  C      -9.552950      5.365393      7.194591
  C      -8.470184      5.683993      8.021796
  C      -7.474327      4.758083      8.325234
  O      -6.448333      5.145059      9.108826
  C      -7.543593      3.442202      7.774569
  C      -6.410808      2.539891      7.949757
  O      -5.471241      2.845674      8.719132
  C      -6.297738      1.245993      7.131708
  C      -8.628979      3.133585      6.935046
  C      -9.601976      4.067849      6.609534
  O     -10.535335      3.673293      5.681872
  H       0.216998      0.840954     -1.780827
  H       0.000051      0.046115     -3.383725
  H       0.294352     -0.911183     -1.880907
  H      -4.227178     -0.344291     -1.582571
  H      -5.955317     -0.764619      1.495752
  H      -4.367255     -1.144680      5.105931
  H      -2.922282     -1.823731      4.310028
  H      -1.630722     -0.511107      2.626916
  H       0.166422     -0.214961      1.372527
  H      -9.480700      9.482089      5.706035
  H      -8.599427      9.969322      4.240547
  H     -10.387297      9.894249      4.223651
  H      -7.065119      8.696521      5.326796
  H      -5.057031      8.248306      6.149719
  H      -3.216591      5.422285      5.281522
  H      -3.793526      5.392854      6.948433
  H      -7.389511      3.850606      4.269972
  H     -10.072212      6.082236      3.405349
  H     -11.843899      6.214903      5.315697
  H     -12.275564      5.132608      6.661517
  H     -12.645363      6.903202      6.742094
  H      -8.418881      6.688304      8.441711
  H      -5.853505      4.331081      9.168566
  H      -6.841664      1.369223      6.190749
  H      -6.818732      0.448851      7.699058
  H      -8.692930      2.161185      6.449567
  H     -10.445216      4.260965      4.891004
  N      -4.148918      2.119789      3.603280
  H      -4.891853      2.732316      3.265777
  H      -3.700444      1.610100      2.845355
95
Coordinates from ORCA-job orca E -6661.172588209915
  N      -2.791402      0.214657      4.775588
  Mo     -3.801222      1.855791      5.514710
  N      -4.926168      0.884149      6.859740
  C      -4.310985      0.179507      7.985324
  C      -2.821670     -0.014451      7.739494
  N      -2.260887      1.190933      7.077740
  C      -1.038234      0.876047      6.313637
  C      -1.412076     -0.031124      5.139421
  C      -2.054290      2.317603      8.018856
  C      -1.987110      3.597384      7.206139
  N      -3.058646      3.536851      6.221487
  H      -0.690940      0.166772      4.318574
  H      -1.275951     -1.095158      5.410720
  H      -0.617799      1.822823      5.952746
  H      -0.283249      0.396780      6.961518
  H      -2.138579      4.458258      7.878558
  H      -1.000828      3.745252      6.727862
  H      -2.942011      2.361053      8.663426
  H      -1.159387      2.146699      8.642640
  H      -4.776915     -0.814510      8.131897
  H      -4.481025      0.747410      8.915514
  H      -2.663074     -0.863799      7.067035
  H      -2.284501     -0.222836      8.680359
  C      -0.140094     -0.070210     -2.293519
  C      -1.633407     -0.149666     -2.107508
  O      -2.381386     -0.088315     -3.078296
  C      -2.229327     -0.305511     -0.727836
  C      -3.619974     -0.397483     -0.667861
  C      -4.317667     -0.543269      0.533038
  O      -5.658598     -0.617708      0.498710
  C      -3.584207     -0.607543      1.750123
  C      -4.306459     -0.819842      3.012145
  O      -5.542874     -0.976934      3.013787
  C      -3.578000     -0.934336      4.357166
  C      -2.178620     -0.519722      1.692126
  C      -1.496066     -0.364560      0.491600
  O      -0.131268     -0.269795      0.470700
  C      -9.494300      9.428669      4.665386
  C      -9.469175      7.995884      4.210605
  O     -10.488770      7.535182      3.597962
  C      -8.331444      7.157334      4.480670
  C      -7.143942      7.640890      5.094183
  C      -6.079570      6.814520      5.382416
  O      -4.936393      7.294161      5.975802
  C      -6.144665      5.408484      5.105058
  C      -5.144929      4.478319      5.487664
  O      -5.401484      3.193662      5.437180
  C      -3.762854      4.795322      5.988783
  C      -7.333420      4.926695      4.473571
  C      -8.389022      5.761075      4.162645
  O      -9.526064      5.254265      3.610964
  C     -11.934101      6.143852      6.417070
  C     -10.609214      6.450082      7.066735
  O     -10.382369      7.581278      7.497785
  C      -9.570171      5.373453      7.231378
  C      -8.494069      5.690574      8.069308
  C      -7.490693      4.769842      8.364668
  O      -6.474442      5.152351      9.163336
  C      -7.543162      3.462563      7.791819
  C      -6.403019      2.568331      7.952701
  O      -5.457298      2.874807      8.714870
  C      -6.298963      1.275734      7.130422
  C      -8.624003      3.154390      6.946624
  C      -9.607254      4.081689      6.633789
  O     -10.537884      3.688136      5.704631
  H       0.274020      0.794028     -1.754765
  H       0.070428      0.011098     -3.365322
  H       0.348688     -0.957415     -1.867158
  H      -4.176149     -0.359700     -1.605639
  H      -5.937492     -0.765410      1.456366
  H      -4.383798     -1.142407      5.084870
  H      -2.935308     -1.834176      4.307634
  H      -1.619969     -0.556228      2.627196
  H       0.191025     -0.282746      1.390515
  H      -9.504283      9.473599      5.766024
  H      -8.611512      9.982633      4.313226
  H     -10.399642      9.913321      4.283604
  H      -7.074321      8.699527      5.352960
  H      -5.062152      8.243544      6.153823
  H      -3.228653      5.425891      5.249990
  H      -3.805885      5.393947      6.916342
  H      -7.414488      3.863580      4.254386
  H     -10.120753      6.103074      3.480208
  H     -11.825337      6.210446      5.320769
  H     -12.291577      5.136867      6.663938
  H     -12.658333      6.907136      6.725233
  H      -8.454066      6.689550      8.502883
  H      -5.878808      4.338916      9.223137
  H      -6.847714      1.405894      6.193090
  H      -6.821272      0.479235      7.697458
  H      -8.677544      2.187964      6.447763
  H     -10.478670      4.305612      4.935326
  N      -4.142669      2.107508      3.573058
  H      -4.883448      2.718003      3.227581
  H      -3.692635      1.589578      2.821798
95
Coordinates from ORCA-job orca E -6661.172754781632
  N      -2.797087      0.212900      4.781784
  Mo     -3.811474      1.847181      5.530408
  N      -4.927954      0.865779      6.875427
  C      -4.306412      0.161539      7.997680
  C      -2.817030     -0.025918      7.746636
  N      -2.263239      1.183495      7.086490
  C      -1.042165      0.875912      6.316970
  C      -1.416227     -0.029625      5.141621
  C      -2.058116      2.308402      8.029843
  C      -1.997561      3.590880      7.220650
  N      -3.069760      3.528273      6.237128
  H      -0.697380      0.172389      4.319678
  H      -1.276162     -1.093941      5.409888
  H      -0.627243      1.825489      5.957024
  H      -0.282484      0.398132      6.960495
  H      -2.152803      4.448965      7.895865
  H      -1.012187      3.745152      6.742281
  H      -2.944253      2.346895      8.676913
  H      -1.161013      2.139115      8.650924
  H      -4.767746     -0.834653      8.144094
  H      -4.475565      0.726985      8.929613
  H      -2.657376     -0.872826      7.071367
  H      -2.276081     -0.234866      8.685222
  C      -0.162474     -0.015955     -2.290911
  C      -1.654808     -0.107826     -2.102654
  O      -2.404885     -0.049240     -3.071979
  C      -2.246982     -0.274100     -0.722613
  C      -3.636643     -0.378366     -0.660571
  C      -4.330978     -0.535297      0.540892
  O      -5.671130     -0.623533      0.508154
  C      -3.594857     -0.597898      1.756384
  C      -4.312961     -0.821277      3.018844
  O      -5.549093     -0.980662      3.022822
  C      -3.581751     -0.936950      4.362309
  C      -2.190184     -0.497890      1.696231
  C      -1.511025     -0.331945      0.495262
  O      -0.147134     -0.225407      0.472499
  C      -9.489267      9.420209      4.608481
  C      -9.468874      7.980782      4.174206
  O     -10.491396      7.514015      3.570586
  C      -8.334950      7.142121      4.457524
  C      -7.150892      7.627640      5.076495
  C      -6.091388      6.800986      5.380623
  O      -4.950167      7.283331      5.975632
  C      -6.158495      5.392322      5.117629
  C      -5.158793      4.465538      5.506556
  O      -5.415099      3.180002      5.466762
  C      -3.773406      4.785839      5.997971
  C      -7.344711      4.907764      4.482764
  C      -8.393181      5.743027      4.151473
  O      -9.521574      5.237233      3.580052
  C     -11.897270      6.162383      6.408666
  C     -10.567932      6.463273      7.051225
  O     -10.327986      7.596733      7.467417
  C      -9.537388      5.378585      7.223545
  C      -8.458378      5.693094      8.058187
  C      -7.464507      4.764716      8.362709
  O      -6.442386      5.145169      9.154752
  C      -7.531816      3.452395      7.803996
  C      -6.399714      2.549003      7.972777
  O      -5.451415      2.856119      8.730698
  C      -6.299679      1.255330      7.152327
  C      -8.614797      3.147445      6.960816
  C      -9.587559      4.082223      6.637395
  O     -10.520590      3.691457      5.709604
  H       0.245665      0.849810     -1.750072
  H       0.045490      0.070559     -3.362812
  H       0.334142     -0.900606     -1.868311
  H      -4.194750     -0.342199     -1.597266
  H      -5.946849     -0.781370      1.465054
  H      -4.386021     -1.148017      5.090846
  H      -2.937359     -1.835424      4.309943
  H      -1.630050     -0.533080      2.630425
  H       0.176717     -0.238210      1.391780
  H      -9.499337      9.481429      5.708130
  H      -8.604601      9.966236      4.248735
  H     -10.392847      9.902449      4.219571
  H      -7.079715      8.688636      5.325049
  H      -5.072982      8.235508      6.140187
  H      -3.242823      5.408347      5.249676
  H      -3.809577      5.393258      6.919943
  H      -7.425291      3.843522      4.268960
  H     -10.101811      6.090501      3.414538
  H     -11.790525      6.221844      5.311875
  H     -12.259964      5.158881      6.661116
  H     -12.615014      6.932654      6.714563
  H      -8.407766      6.695871      8.481855
  H      -5.854076      4.327200      9.220490
  H      -6.853047      1.383921      6.217529
  H      -6.818420      0.459442      7.723472
  H      -8.677709      2.176972      6.471000
  H     -10.431680      4.284497      4.923582
  N      -4.162393      2.103635      3.591181
  H      -4.907711      2.711552      3.250850
  H      -3.713750      1.589747      2.836249
95
Coordinates from ORCA-job orca E -6661.172528299611
  N      -2.792053      0.226905      4.768780
  Mo     -3.802474      1.864218      5.516269
  N      -4.933828      0.883981      6.849702
  C      -4.323483      0.175370      7.975577
  C      -2.833126     -0.019666      7.734652
  N      -2.268304      1.187743      7.080968
  C      -1.044038      0.876132      6.318278
  C      -1.415010     -0.023616      5.137288
  C      -2.063190      2.308104      8.029456
  C      -1.991705      3.593230      7.226150
  N      -3.057163      3.538466      6.235330
  H      -0.689333      0.177684      4.321153
  H      -1.282124     -1.089581      5.402706
  H      -0.621658      1.824635      5.964177
  H      -0.291052      0.391992      6.964910
  H      -2.149128      4.448978      7.903862
  H      -1.002341      3.746106      6.755498
  H      -2.953040      2.348309      8.671246
  H      -1.170591      2.132193      8.655137
  H      -4.790429     -0.818895      8.117091
  H      -4.496647      0.740248      8.907157
  H      -2.673319     -0.866252      7.059002
  H      -2.299840     -0.233219      8.676582
  C      -0.109328     -0.105397     -2.297192
  C      -1.603946     -0.171756     -2.116538
  O      -2.347408     -0.118219     -3.091210
  C      -2.205887     -0.317608     -0.738451
  C      -3.597268     -0.400512     -0.682913
  C      -4.300066     -0.536082      0.516198
  O      -5.641388     -0.602339      0.477610
  C      -3.571496     -0.599307      1.735952
  C      -4.300649     -0.803893      2.995231
  O      -5.536989     -0.960870      2.989097
  C      -3.581418     -0.918362      4.345773
  C      -2.165233     -0.521218      1.682362
  C      -1.477253     -0.375984      0.483744
  O      -0.111726     -0.291219      0.467481
  C      -9.490776      9.420646      4.667274
  C      -9.473411      7.984325      4.222194
  O     -10.500545      7.519540      3.624876
  C      -8.332670      7.149286      4.485376
  C      -7.146894      7.639745      5.097423
  C      -6.079682      6.819446      5.389542
  O      -4.938672      7.306285      5.980741
  C      -6.139874      5.412476      5.119333
  C      -5.138580      4.486591      5.499342
  O      -5.398209      3.203248      5.448002
  C      -3.753183      4.800241      5.995028
  C      -7.325846      4.923151      4.489934
  C      -8.382596      5.750648      4.171409
  O      -9.511278      5.232447      3.611035
  C     -11.977943      6.145481      6.505162
  C     -10.624876      6.465040      7.086460
  O     -10.382960      7.601870      7.490664
  C      -9.580619      5.388232      7.231333
  C      -8.479150      5.712826      8.031739
  C      -7.472440      4.790664      8.313516
  O      -6.424851      5.183977      9.064806
  C      -7.550991      3.472357      7.770177
  C      -6.413790      2.570715      7.932898
  O      -5.468242      2.878957      8.693770
  C      -6.308692      1.274021      7.116868
  C      -8.654628      3.159195      6.955403
  C      -9.640339      4.089446      6.651810
  O     -10.601144      3.691642      5.754322
  H       0.309253      0.759547     -1.763143
  H       0.105931     -0.033569     -3.368742
  H       0.370996     -0.993235     -1.862592
  H      -4.149963     -0.363727     -1.622778
  H      -5.924432     -0.744223      1.434667
  H      -4.394267     -1.119562      5.067445
  H      -2.944081     -1.822513      4.303982
  H      -1.610660     -0.558695      2.619591
  H       0.206763     -0.299922      1.388700
  H      -9.490536      9.472611      5.768027
  H      -8.609941      9.970245      4.303823
  H     -10.398307      9.905280      4.290714
  H      -7.081442      8.699723      5.351794
  H      -5.066896      8.256858      6.150426
  H      -3.218126      5.419573      5.247300
  H      -3.787528      5.407438      6.917025
  H      -7.400588      3.859139      4.272997
  H     -10.100867      6.078396      3.446056
  H     -11.917649      6.194855      5.404592
  H     -12.319345      5.141040      6.781785
  H     -12.689257      6.912266      6.833871
  H      -8.419740      6.719068      8.446086
  H      -5.823048      4.374359      9.105068
  H      -6.857463      1.401569      6.179376
  H      -6.829742      0.478484      7.686354
  H      -8.729223      2.184077      6.476859
  H     -10.532249      4.271772      4.954613
  N      -4.136822      2.131096      3.575354
  H      -4.878171      2.742650      3.232674
  H      -3.685673      1.618212      2.821201
95
Coordinates from ORCA-job orca E -6661.172809662732
  N      -2.798510      0.215387      4.772236
  Mo     -3.808896      1.854636      5.514863
  N      -4.933554      0.880174      6.858321
  C      -4.317796      0.173299      7.982316
  C      -2.827894     -0.019012      7.736305
  N      -2.267904      1.187739      7.076483
  C      -1.045581      0.875448      6.310977
  C      -1.419044     -0.029779      5.134920
  C      -2.062018      2.312543      8.019762
  C      -1.996290      3.594540      7.210445
  N      -3.065604      3.533497      6.223966
  H      -0.698003      0.171152      4.314651
  H      -1.281703     -1.094440      5.403375
  H      -0.626271      1.823366      5.951695
  H      -0.289486      0.395396      6.957022
  H      -2.152399      4.453113      7.884864
  H      -1.009182      3.746967      6.734984
  H      -2.949665      2.353480      8.664542
  H      -1.166774      2.141118      8.642891
  H      -4.782648     -0.821566      8.126675
  H      -4.488311      0.738724      8.914013
  H      -2.668573     -0.867371      7.062788
  H      -2.290679     -0.228305      8.676959
  C      -0.118578     -0.069539     -2.285582
  C      -1.612854     -0.144711     -2.105464
  O      -2.356705     -0.083419     -3.079388
  C      -2.214319     -0.302582     -0.728456
  C      -3.605486     -0.389391     -0.673578
  C      -4.308030     -0.535589      0.524468
  O      -5.649102     -0.605599      0.484975
  C      -3.579276     -0.605334      1.743856
  C      -4.307332     -0.817790      3.002456
  O      -5.544232     -0.970523      2.997812
  C      -3.586726     -0.931721      4.352207
  C      -2.173194     -0.523618      1.690784
  C      -1.485518     -0.368278      0.493288
  O      -0.120195     -0.280149      0.477674
  C      -9.496006      9.422831      4.658235
  C      -9.479757      7.985918      4.216191
  O     -10.511216      7.518261      3.628502
  C      -8.340123      7.149378      4.479196
  C      -7.149476      7.636143      5.084181
  C      -6.084974      6.811239      5.374148
  O      -4.939140      7.294893      5.958807
  C      -6.152278      5.403267      5.108457
  C      -5.150729      4.475846      5.488723
  O      -5.408227      3.191037      5.442528
  C      -3.764417      4.792878      5.979727
  C      -7.344013      4.917948      4.484709
  C      -8.398744      5.751081      4.169882
  O      -9.535996      5.242105      3.617954
  C     -11.937199      6.151780      6.451866
  C     -10.601758      6.463252      7.076447
  O     -10.367194      7.597630      7.492873
  C      -9.562398      5.384605      7.237968
  C      -8.476931      5.703956      8.062496
  C      -7.473727      4.780974      8.354736
  O      -6.445012      5.167106      9.135474
  C      -7.539319      3.468634      7.794871
  C      -6.402417      2.568166      7.954633
  O      -5.453620      2.873096      8.712886
  C      -6.304603      1.275267      7.132449
  C      -8.629040      3.159702      6.961668
  C      -9.610405      4.089361      6.649122
  O     -10.552017      3.695116      5.731002
  H       0.296157      0.792142     -1.743291
  H       0.096160      0.013578     -3.356423
  H       0.365961     -0.959278     -1.859643
  H      -4.158209     -0.347182     -1.613202
  H      -5.931980     -0.757042      1.440621
  H      -4.398412     -1.133150      5.075089
  H      -2.947954     -1.834814      4.310636
  H      -1.618466     -0.566471      2.627758
  H       0.198395     -0.295107      1.398763
  H      -9.491136      9.476575      5.758271
  H      -8.617113      9.972193      4.289813
  H     -10.405477      9.906212      4.284740
  H      -7.077841      8.696489      5.335234
  H      -5.062949      8.246236      6.127408
  H      -3.231802      5.409800      5.228145
  H      -3.797784      5.403992      6.899133
  H      -7.425283      3.853794      4.270835
  H     -10.121226      6.094132      3.461118
  H     -11.843610      6.209476      5.353998
  H     -12.289177      5.146043      6.709990
  H     -12.656413      6.917607      6.765303
  H      -8.427630      6.706397      8.487235
  H      -5.848341      4.354331      9.190174
  H      -6.855296      1.409259      6.196906
  H      -6.828125      0.480257      7.700389
  H      -8.692277      2.189289      6.471840
  H     -10.465275      4.279394      4.937439
  N      -4.146686      2.112742      3.573283
  H      -4.889252      2.721987      3.229253
  H      -3.699771      1.593394      2.821025
95
Coordinates from ORCA-job orca E -6661.172804103104
  N      -2.803383      0.213549      4.768887
  Mo     -3.816846      1.850540      5.514200
  N      -4.936740      0.875281      6.860910
  C      -4.317186      0.167397      7.982294
  C      -2.827781     -0.022138      7.732382
  N      -2.271813      1.186455      7.072320
  C      -1.049988      0.877412      6.304580
  C      -1.423267     -0.029512      5.130000
  C      -2.066411      2.310856      8.016390
  C      -2.007001      3.594022      7.208457
  N      -3.078509      3.530375      6.224483
  H      -0.703580      0.171818      4.308616
  H      -1.283857     -1.093719      5.399350
  H      -0.634451      1.826456      5.943819
  H      -0.291236      0.400074      6.949504
  H      -2.164371      4.451365      7.884125
  H      -1.021529      3.750113      6.730772
  H      -2.952063      2.348380      8.664058
  H      -1.168562      2.141290      8.636226
  H      -4.780429     -0.828284      8.126085
  H      -4.486192      0.731138      8.915199
  H      -2.668492     -0.869463      7.057585
  H      -2.287748     -0.231184      8.671472
  C      -0.105678     -0.057207     -2.278849
  C      -1.600046     -0.141163     -2.103586
  O      -2.341400     -0.077242     -3.079258
  C      -2.205055     -0.302237     -0.728505
  C      -3.596400     -0.389527     -0.677531
  C      -4.301981     -0.539056      0.518353
  O      -5.642806     -0.611191      0.474854
  C      -3.576379     -0.610223      1.739734
  C      -4.307242     -0.823152      2.996607
  O      -5.544079     -0.976673      2.989345
  C      -3.589776     -0.934479      4.348243
  C      -2.170251     -0.528336      1.690272
  C      -1.479472     -0.370843      0.494865
  O      -0.113932     -0.283538      0.482927
  C      -9.511502      9.419784      4.639131
  C      -9.491947      7.981656      4.200572
  O     -10.514077      7.517834      3.593779
  C      -8.356841      7.142369      4.477716
  C      -7.169887      7.627585      5.091537
  C      -6.106753      6.801887      5.385767
  O      -4.962961      7.284629      5.975274
  C      -6.171974      5.394552      5.116440
  C      -5.167779      4.467947      5.493233
  O      -5.420695      3.182605      5.441341
  C      -3.781177      4.787859      5.981626
  C      -7.361425      4.909972      4.487606
  C      -8.414365      5.743756      4.167821
  O      -9.547449      5.235431      3.606661
  C     -11.913253      6.179113      6.464417
  C     -10.571578      6.481765      7.080182
  O     -10.325189      7.615213      7.492648
  C      -9.540430      5.396046      7.242703
  C      -8.450690      5.711927      8.062639
  C      -7.453339      4.783901      8.356461
  O      -6.419915      5.166320      9.132723
  C      -7.528899      3.469947      7.802349
  C      -6.397265      2.564203      7.962898
  O      -5.442322      2.870755      8.712728
  C      -6.306135      1.270558      7.141086
  C      -8.622355      3.164274      6.972860
  C      -9.599151      4.098547      6.659802
  O     -10.546325      3.706729      5.746765
  H       0.303387      0.802811     -1.729640
  H       0.111833      0.033876     -3.348490
  H       0.382034     -0.947430     -1.857556
  H      -4.146622     -0.345644     -1.618532
  H      -5.928020     -0.767286      1.429167
  H      -4.403227     -1.135468      5.069265
  H      -2.950562     -1.837425      4.309896
  H      -1.617423     -0.573472      2.628286
  H       0.202308     -0.302209      1.404762
  H      -9.526348      9.476088      5.739120
  H      -8.624584      9.965748      4.285256
  H     -10.412815      9.904963      4.248575
  H      -7.098426      8.687851      5.342990
  H      -5.087721      8.235541      6.145642
  H      -3.251618      5.405317      5.228226
  H      -3.813788      5.399750      6.900429
  H      -7.441083      3.846324      4.270643
  H     -10.134423      6.087343      3.452191
  H     -11.824899      6.228788      5.365701
  H     -12.273603      5.178433      6.730758
  H     -12.623492      6.953663      6.776892
  H      -8.393645      6.715840      8.482951
  H      -5.829472      4.349334      9.190101
  H      -6.860422      1.405715      6.207844
  H      -6.828559      0.476344      7.711083
  H      -8.693142      2.192152      6.487372
  H     -10.454069      4.284986      4.949077
  N      -4.154618      2.109848      3.572571
  H      -4.899081      2.717071      3.229100
  H      -3.706176      1.592239      2.820045
95
Coordinates from ORCA-job orca E -6661.172831606389
  N      -2.804615      0.213882      4.764605
  Mo     -3.816450      1.852862      5.508144
  N      -4.939418      0.880286      6.854641
  C      -4.321876      0.171489      7.976595
  C      -2.832469     -0.020143      7.728251
  N      -2.274191      1.187305      7.068219
  C      -1.052081      0.876262      6.301738
  C      -1.425347     -0.031036      5.127383
  C      -2.068115      2.311622      8.012294
  C      -2.006852      3.594731      7.204425
  N      -3.077074      3.531615      6.219191
  H      -0.704376      0.168847      4.306751
  H      -1.287746     -1.095314      5.397510
  H      -0.635164      1.824601      5.940664
  H      -0.294422      0.398455      6.947604
  H      -2.164717      4.452249      7.879777
  H      -1.020627      3.750199      6.728020
  H      -2.954115      2.350056      8.659363
  H      -1.170740      2.141102      8.632533
  H      -4.786529     -0.823605      8.119881
  H      -4.490995      0.735421      8.909363
  H      -2.673597     -0.867986      7.054010
  H      -2.293643     -0.229439      8.667981
  C      -0.085875     -0.072232     -2.274926
  C      -1.581027     -0.150519     -2.103850
  O      -2.319255     -0.087194     -3.081925
  C      -2.190454     -0.309562     -0.730487
  C      -3.582364     -0.389999     -0.683285
  C      -4.291861     -0.536702      0.510626
  O      -5.632916     -0.602361      0.463456
  C      -3.569953     -0.611757      1.733952
  C      -4.305349     -0.821428      2.988714
  O      -5.542541     -0.971658      2.977385
  C      -3.592999     -0.932361      4.343230
  C      -2.163347     -0.537158      1.688174
  C      -1.468508     -0.382750      0.494727
  O      -0.102421     -0.303233      0.486589
  C      -9.521235      9.413045      4.644537
  C      -9.498379      7.975182      4.205489
  O     -10.523811      7.505955      3.608402
  C      -8.358675      7.140326      4.475859
  C      -7.170050      7.628754      5.084077
  C      -6.104187      6.805440      5.375163
  O      -4.959248      7.291134      5.960173
  C      -6.168273      5.397522      5.107993
  C      -5.163574      4.471611      5.483712
  O      -5.417950      3.186446      5.432307
  C      -3.776517      4.790201      5.971868
  C      -7.358571      4.910459      4.483078
  C      -8.413986      5.741720      4.166602
  O      -9.548076      5.230753      3.610355
  C     -11.922138      6.190104      6.489053
  C     -10.581778      6.487277      7.110163
  O     -10.333212      7.618776      7.526609
  C      -9.550458      5.400093      7.263978
  C      -8.457419      5.712610      8.080457
  C      -7.457816      4.784076      8.364744
  O      -6.420964      5.163547      9.137555
  C      -7.534389      3.473040      7.804416
  C      -6.400192      2.568363      7.957691
  O      -5.445465      2.873166      8.708365
  C      -6.309253      1.275703      7.134074
  C      -8.631550      3.170411      6.978451
  C      -9.611128      4.105473      6.674710
  O     -10.564023      3.717195      5.765630
  H       0.325062      0.785703     -1.723897
  H       0.134961      0.018700     -3.343901
  H       0.397187     -0.964736     -1.853071
  H      -4.129823     -0.342878     -1.625734
  H      -5.921462     -0.758000      1.416804
  H      -4.410044     -1.128789      5.061410
  H      -2.956963     -1.837780      4.309735
  H      -1.613157     -0.586448      2.627485
  H       0.211047     -0.324364      1.409323
  H      -9.530329      9.468079      5.744703
  H      -8.638632      9.962980      4.286147
  H     -10.426787      9.894688      4.259440
  H      -7.099846      8.689300      5.334712
  H      -5.085175      8.242099      6.129413
  H      -3.245331      5.403246      5.215952
  H      -3.807575      5.405394      6.888410
  H      -7.437098      3.846465      4.267425
  H     -10.135066      6.082191      3.454425
  H     -11.829285      6.242537      5.390829
  H     -12.285765      5.189463      6.751008
  H     -12.631396      6.965620      6.801211
  H      -8.398858      6.714581      8.505156
  H      -5.828846      4.347249      9.186679
  H      -6.863241      1.413245      6.201002
  H      -6.832329      0.480579      7.702165
  H      -8.703853      2.200519      6.488726
  H     -10.477225      4.297095      4.968751
  N      -4.149235      2.112746      3.565607
  H      -4.892618      2.720549      3.220793
  H      -3.701860      1.592639      2.814136
95
Coordinates from ORCA-job orca E -6661.172771767921
  N      -2.802863      0.217190      4.766414
  Mo     -3.808873      1.859985      5.508116
  N      -4.932978      0.890041      6.855579
  C      -4.316509      0.181880      7.978440
  C      -2.827117     -0.012675      7.729845
  N      -2.266394      1.192516      7.067441
  C      -1.046148      0.877532      6.299787
  C      -1.423182     -0.029449      5.126191
  C      -2.056395      2.317533      8.009648
  C      -1.992326      3.599311      7.199774
  N      -3.063104      3.537158      6.215289
  H      -0.703667      0.169698      4.304140
  H      -1.286569     -1.094002      5.395807
  H      -0.626836      1.824439      5.937743
  H      -0.288977      0.397865      6.944862
  H      -2.148170      4.458284      7.873791
  H      -1.005890      3.751920      6.722783
  H      -2.941984      2.359217      8.657077
  H      -1.159096      2.145328      8.629497
  H      -4.782424     -0.812400      8.123382
  H      -4.484388      0.747311      8.910627
  H      -2.670109     -0.862056      7.057115
  H      -2.288410     -0.221334      8.669786
  C      -0.095821     -0.096361     -2.279081
  C      -1.591176     -0.161492     -2.104246
  O      -2.330996     -0.100464     -3.081227
  C      -2.198285     -0.317430     -0.729479
  C      -3.590600     -0.387596     -0.678788
  C      -4.298129     -0.529432      0.516815
  O      -5.639834     -0.584577      0.473192
  C      -3.573912     -0.610412      1.738127
  C      -4.308582     -0.815783      2.994011
  O      -5.546519     -0.958940      2.983779
  C      -3.595889     -0.926911      4.348604
  C      -2.166918     -0.546757      1.688920
  C      -1.473772     -0.397022      0.493867
  O      -0.107157     -0.328505      0.482545
  C      -9.495088      9.436890      4.691182
  C      -9.484506      7.998673      4.251195
  O     -10.523083      7.531874      3.675131
  C      -8.342714      7.160542      4.500943
  C      -7.144128      7.646205      5.091548
  C      -6.077790      6.819998      5.371253
  O      -4.924578      7.302623      5.942379
  C      -6.149838      5.411741      5.109016
  C      -5.147051      4.482811      5.481268
  O      -5.406802      3.198347      5.434222
  C      -3.756933      4.797581      5.963290
  C      -7.348452      4.927603      4.498088
  C      -8.405757      5.761147      4.194083
  O      -9.549490      5.249561      3.657907
  C     -11.954831      6.135402      6.442178
  C     -10.627911      6.448276      7.083724
  O     -10.397118      7.583039      7.500183
  C      -9.582514      5.375040      7.244609
  C      -8.498447      5.701052      8.067475
  C      -7.488626      4.784782      8.357119
  O      -6.462295      5.177508      9.137141
  C      -7.546165      3.472669      7.795763
  C      -6.403471      2.578232      7.952966
  O      -5.455003      2.887744      8.709480
  C      -6.303416      1.286319      7.129700
  C      -8.635676      3.157193      6.964310
  C      -9.623940      4.080763      6.654451
  O     -10.568682      3.682156      5.740966
  H       0.323758      0.758780     -1.730328
  H       0.123112     -0.009090     -3.348749
  H       0.380435     -0.992446     -1.857044
  H      -4.140083     -0.335866     -1.619820
  H      -5.927114     -0.738711      1.426900
  H      -4.413998     -1.116959      5.067238
  H      -2.964277     -1.835575      4.318258
  H      -1.615082     -0.601804      2.626877
  H       0.208128     -0.352240      1.404602
  H      -9.485106      9.492677      5.791419
  H      -8.616864      9.983870      4.317930
  H     -10.405474      9.921629      4.321645
  H      -7.067605      8.706734      5.340379
  H      -5.044615      8.254671      6.109799
  H      -3.225401      5.403871      5.202140
  H      -3.781977      5.416995      6.877056
  H      -7.433567      3.863165      4.287232
  H     -10.135781      6.101053      3.501933
  H     -11.845084      6.189111      5.345617
  H     -12.309314      5.129961      6.697687
  H     -12.678032      6.902250      6.743371
  H      -8.454743      6.703526      8.492737
  H      -5.859330      4.369183      9.189720
  H      -6.852275      1.424853      6.193755
  H      -6.829232      0.490705      7.694485
  H      -8.693807      2.186541      6.474320
  H     -10.477329      4.256088      4.939971
  N      -4.141236      2.119762      3.565468
  H      -4.883545      2.729325      3.221316
  H      -3.700147      1.594162      2.814016
95
Coordinates from ORCA-job orca E -6661.172842260235
  N      -2.806708      0.212978      4.762845
  Mo     -3.816132      1.854203      5.504550
  N      -4.939916      0.883997      6.852143
  C      -4.323236      0.175245      7.974502
  C      -2.833923     -0.018056      7.726175
  N      -2.274417      1.188240      7.064818
  C      -1.052882      0.875285      6.298233
  C      -1.427392     -0.032541      5.124576
  C      -2.066850      2.312997      8.008104
  C      -2.005041      3.595672      7.199478
  N      -3.075237      3.532280      6.214374
  H      -0.706943      0.166832      4.303384
  H      -1.290166     -1.096843      5.394952
  H      -0.635123      1.822937      5.936297
  H      -0.295461      0.397217      6.944189
  H      -2.162776      4.453726      7.874204
  H      -1.018697      3.750504      6.723030
  H      -2.952553      2.352417      8.655518
  H      -1.169256      2.141996      8.627842
  H      -4.788822     -0.819322      8.118468
  H      -4.491629      0.739910      8.907016
  H      -2.675857     -0.866774      7.052866
  H      -2.295245     -0.226778      8.666117
  C      -0.074871     -0.082489     -2.270551
  C      -1.570581     -0.155076     -2.101918
  O      -2.306942     -0.090136     -3.081281
  C      -2.182696     -0.314144     -0.729731
  C      -3.575169     -0.385752     -0.684470
  C      -4.287053     -0.530762      0.508199
  O      -5.628496     -0.587309      0.459344
  C      -3.567281     -0.613098      1.732224
  C      -4.305953     -0.820649      2.985365
  O      -5.543689     -0.965743      2.971149
  C      -3.597363     -0.931666      4.342017
  C      -2.160208     -0.547867      1.688337
  C      -1.462771     -0.395372      0.496148
  O      -0.096109     -0.325719      0.489999
  C      -9.525779      9.415711      4.655201
  C      -9.501590      7.977317      4.217953
  O     -10.530730      7.504702      3.629846
  C      -8.358892      7.144271      4.481778
  C      -7.166472      7.633122      5.082602
  C      -6.099304      6.809488      5.369191
  O      -4.951072      7.295012      5.948122
  C      -6.165306      5.401156      5.104235
  C      -5.160618      4.474278      5.477895
  O      -5.416602      3.189317      5.426951
  C      -3.772069      4.791510      5.963049
  C      -7.358854      4.914216      4.485546
  C      -8.415823      5.745401      4.174396
  O      -9.554018      5.233849      3.627422
  C     -11.931380      6.185159      6.494429
  C     -10.592203      6.482897      7.117460
  O     -10.345958      7.612942      7.539338
  C      -9.558038      5.397660      7.267732
  C      -8.465464      5.712230      8.083527
  C      -7.462845      4.786539      8.365630
  O      -6.427983      5.168729      9.139532
  C      -7.536008      3.475876      7.803353
  C      -6.399828      2.572894      7.954233
  O      -5.444598      2.877562      8.704262
  C      -6.309285      1.280775      7.130080
  C      -8.633343      3.171213      6.978193
  C      -9.615764      4.103827      6.676342
  O     -10.569547      3.713660      5.768388
  H       0.339009      0.771536     -1.715721
  H       0.147935      0.011189     -3.338880
  H       0.403595     -0.978729     -1.851342
  H      -4.121125     -0.332668     -1.627471
  H      -5.919193     -0.743564      1.411819
  H      -4.417334     -1.123248      5.058137
  H      -2.964611     -1.839580      4.313025
  H      -1.611451     -0.604057      2.628069
  H       0.215867     -0.351897      1.413112
  H      -9.530620      9.472310      5.755027
  H      -8.645967      9.967274      4.292572
  H     -10.434139      9.894642      4.273328
  H      -7.094595      8.693829      5.332137
  H      -5.075325      8.246360      6.116488
  H      -3.240613      5.399753      5.203364
  H      -3.800041      5.410364      6.877093
  H      -7.439345      3.849918      4.272155
  H     -10.140158      6.085995      3.471781
  H     -11.837013      6.239430      5.396484
  H     -12.293176      5.183216      6.753694
  H     -12.642076      6.959061      6.807229
  H      -8.409634      6.713654      8.509836
  H      -5.832841      4.354386      9.188200
  H      -6.861621      1.420559      6.196352
  H      -6.834627      0.486055      7.696567
  H      -8.703467      2.201654      6.487525
  H     -10.480312      4.288564      4.968051
  N      -4.145255      2.114507      3.561327
  H      -4.887917      2.722879      3.215915
  H      -3.701020      1.590563      2.810605
95
Coordinates from ORCA-job orca E -6661.172857695275
  N      -2.809528      0.213038      4.760029
  Mo     -3.818776      1.854319      5.503549
  N      -4.940351      0.885500      6.853987
  C      -4.321379      0.176728      7.975169
  C      -2.832790     -0.017108      7.723541
  N      -2.274558      1.189123      7.061010
  C      -1.054117      0.876280      6.292467
  C      -1.430159     -0.033145      5.120728
  C      -2.065236      2.313919      8.003956
  C      -2.006120      3.596750      7.195340
  N      -3.078191      3.532421      6.212399
  H      -0.710293      0.164307      4.298531
  H      -1.293374     -1.097112      5.392797
  H      -0.638091      1.823957      5.928540
  H      -0.295079      0.399753      6.937654
  H      -2.163181      4.454639      7.870424
  H      -1.020811      3.752316      6.716960
  H      -2.949145      2.352749      8.653813
  H      -1.165817      2.143325      8.621135
  H      -4.787131     -0.817579      8.120311
  H      -4.487456      0.741747      8.907862
  H      -2.676476     -0.865772      7.049759
  H      -2.291967     -0.225919      8.662234
  C      -0.067711     -0.082076     -2.266718
  C      -1.563469     -0.160126     -2.101181
  O      -2.298183     -0.094658     -3.081765
  C      -2.177981     -0.318622     -0.730000
  C      -3.570649     -0.388827     -0.687105
  C      -4.284620     -0.533683      0.504353
  O      -5.625977     -0.589978      0.453093
  C      -3.566917     -0.616386      1.729748
  C      -4.307452     -0.822090      2.982081
  O      -5.545255     -0.966941      2.966529
  C      -3.600707     -0.931378      4.339780
  C      -2.159752     -0.552735      1.688047
  C      -1.460225     -0.401060      0.496983
  O      -0.093360     -0.333560      0.493023
  C      -9.519979      9.419838      4.662981
  C      -9.502045      7.982114      4.222982
  O     -10.532463      7.514723      3.632901
  C      -8.362406      7.145285      4.486651
  C      -7.169930      7.632480      5.088163
  C      -6.103456      6.808271      5.373772
  O      -4.954779      7.293095      5.952283
  C      -6.170155      5.400376      5.107380
  C      -5.164602      4.473585      5.478511
  O      -5.420102      3.188513      5.427333
  C      -3.775171      4.791379      5.960540
  C      -7.364105      4.914438      4.488674
  C      -8.420704      5.746416      4.177796
  O      -9.557744      5.235153      3.627936
  C     -11.932295      6.180159      6.490149
  C     -10.594196      6.482147      7.113347
  O     -10.350997      7.614010      7.531787
  C      -9.558277      5.398692      7.267348
  C      -8.464915      5.715768      8.081596
  C      -7.461532      4.790794      8.365178
  O      -6.425301      5.174614      9.136609
  C      -7.534729      3.478954      7.805944
  C      -6.398477      2.576352      7.958274
  O      -5.442645      2.882854      8.706695
  C      -6.309004      1.283076      7.135468
  C      -8.632329      3.172166      6.982071
  C      -9.615727      4.103476      6.679663
  O     -10.570436      3.711639      5.773827
  H       0.342654      0.771038     -1.707877
  H       0.156920      0.016062     -3.334267
  H       0.412657     -0.978480     -1.850010
  H      -4.114942     -0.335172     -1.631025
  H      -5.918285     -0.747647      1.404979
  H      -4.421763     -1.121283      5.055130
  H      -2.968887     -1.840041      4.313175
  H      -1.612137     -0.609826      2.628411
  H       0.217116     -0.361766      1.416584
  H      -9.526885      9.474336      5.763260
  H      -8.636528      9.967711      4.303605
  H     -10.425086      9.903973      4.279976
  H      -7.097137      8.692991      5.338390
  H      -5.078787      8.244324      6.121536
  H      -3.245116      5.398335      5.198791
  H      -3.801120      5.411823      6.873524
  H      -7.444770      3.850484      4.273639
  H     -10.145125      6.086440      3.473404
  H     -11.836656      6.227866      5.391959
  H     -12.293993      5.179571      6.755021
  H     -12.643867      6.955421      6.797518
  H      -8.408958      6.718289      8.505280
  H      -5.830278      4.360377      9.186001
  H      -6.863443      1.422285      6.202872
  H      -6.832934      0.488720      7.703750
  H      -8.702455      2.201521      6.493490
  H     -10.483505      4.287721      4.974323
  N      -4.149111      2.114493      3.560409
  H      -4.892591      2.722067      3.215390
  H      -3.704091      1.591491      2.809522
95
Coordinates from ORCA-job orca E -6661.172865780050
  N      -2.811386      0.213991      4.757365
  Mo     -3.820318      1.855765      5.500179
  N      -4.941824      0.887653      6.851217
  C      -4.322764      0.178195      7.971905
  C      -2.834130     -0.015570      7.719947
  N      -2.276111      1.190808      7.057352
  C      -1.055671      0.878254      6.288686
  C      -1.431645     -0.031211      5.116840
  C      -2.066849      2.315384      8.000659
  C      -2.008735      3.598586      7.192565
  N      -3.080886      3.533703      6.209838
  H      -0.712652      0.167440      4.294204
  H      -1.293778     -1.095222      5.388318
  H      -0.639952      1.826077      5.924769
  H      -0.296471      0.401913      6.933812
  H      -2.166411      4.456132      7.867944
  H      -1.023600      3.755063      6.714081
  H      -2.950562      2.353496      8.650815
  H      -1.167073      2.144835      8.617288
  H      -4.788538     -0.816172      8.116601
  H      -4.488578      0.742696      8.904956
  H      -2.677740     -0.864221      7.046198
  H      -2.293141     -0.224153      8.658592
  C      -0.054862     -0.096254     -2.264481
  C      -1.551263     -0.166204     -2.101173
  O      -2.284035     -0.100675     -3.083194
  C      -2.168494     -0.324234     -0.731137
  C      -3.561693     -0.384787     -0.690088
  C      -4.278017     -0.527446      0.500215
  O      -5.619715     -0.573982      0.447404
  C      -3.562432     -0.617688      1.726262
  C      -4.306210     -0.820437      2.977103
  O      -5.544537     -0.960259      2.958860
  C      -3.602859     -0.929917      4.336664
  C      -2.154835     -0.564378      1.686299
  C      -1.452786     -0.415201      0.496403
  O      -0.085379     -0.358686      0.494127
  C      -9.526329      9.419047      4.671175
  C      -9.508988      7.981386      4.230837
  O     -10.539726      7.513834      3.641390
  C      -8.368919      7.144800      4.492658
  C      -7.175849      7.632254      5.092596
  C      -6.108475      6.808491      5.375773
  O      -4.959300      7.293580      5.952885
  C      -6.174540      5.400908      5.107953
  C      -5.167745      4.474386      5.476373
  O      -5.422260      3.189377      5.422354
  C      -3.777936      4.792468      5.957121
  C      -7.369276      4.914679      4.490946
  C      -8.427115      5.746159      4.183026
  O      -9.565590      5.234394      3.635941
  C     -11.934109      6.182308      6.498444
  C     -10.594515      6.485495      7.117604
  O     -10.351140      7.617400      7.535776
  C      -9.557957      5.402296      7.270590
  C      -8.463476      5.719470      8.083316
  C      -7.459564      4.794431      8.365471
  O      -6.422077      5.178344      9.135137
  C      -7.533671      3.482363      7.806671
  C      -6.397495      2.579387      7.957414
  O      -5.440379      2.885280      8.704502
  C      -6.309826      1.286620      7.133558
  C      -8.632591      3.175669      6.984427
  C      -9.616106      4.107071      6.683142
  O     -10.572589      3.716102      5.778540
  H       0.359749      0.752793     -1.702652
  H       0.171822      0.003303     -3.331462
  H       0.419619     -0.996710     -1.849695
  H      -4.104481     -0.324898     -1.634493
  H      -5.914195     -0.731986      1.398489
  H      -4.426236     -1.117281      5.049986
  H      -2.972571     -1.839750      4.313458
  H      -1.608544     -0.628884      2.626910
  H       0.223811     -0.392622      1.417923
  H      -9.534246      9.473221      5.771518
  H      -8.642159      9.966455      4.312963
  H     -10.430781      9.903867      4.287473
  H      -7.103268      8.692548      5.343697
  H      -5.083794      8.244516      6.123448
  H      -3.248549      5.398181      5.193857
  H      -3.802830      5.414054      6.869260
  H      -7.449657      3.850808      4.275346
  H     -10.153930      6.085368      3.483001
  H     -11.841419      6.228110      5.400027
  H     -12.294249      5.181716      6.765315
  H     -12.645111      6.957687      6.806828
  H      -8.406884      6.722029      8.506878
  H      -5.826692      4.364204      9.183306
  H      -6.864081      1.428154      6.201218
  H      -6.834972      0.492414      7.700897
  H      -8.703757      2.204892      6.496266
  H     -10.479035      4.286378      4.975183
  N      -4.146695      2.117707      3.556512
  H      -4.889736      2.725602      3.211110
  H      -3.703545      1.592443      2.806089
95
Coordinates from ORCA-job orca E -6661.172875339818
  N      -2.816560      0.214599      4.751145
  Mo     -3.823449      1.858229      5.492824
  N      -4.944497      0.892166      6.845858
  C      -4.324942      0.181901      7.965727
  C      -2.836565     -0.012772      7.712211
  N      -2.278652      1.193297      7.048697
  C      -1.058947      0.880222      6.279034
  C      -1.436183     -0.029766      5.107824
  C      -2.068044      2.317614      7.992164
  C      -2.011633      3.601179      7.184570
  N      -3.084720      3.535620      6.203102
  H      -0.719081      0.169782      4.283819
  H      -1.297133     -1.093780      5.378946
  H      -0.643588      1.827896      5.914274
  H      -0.299205      0.404178      6.923721
  H      -2.169371      4.458437      7.860308
  H      -1.027080      3.758504      6.705090
  H      -2.950809      2.355149      8.643593
  H      -1.167180      2.146802      8.607058
  H      -4.791245     -0.812183      8.110696
  H      -4.489214      0.746255      8.899134
  H      -2.681060     -0.861693      7.038638
  H      -2.294722     -0.221005      8.650441
  C      -0.028583     -0.113272     -2.255073
  C      -1.525815     -0.181050     -2.098710
  O      -2.254204     -0.107839     -3.083432
  C      -2.149580     -0.337523     -0.731419
  C      -3.543559     -0.382311     -0.695515
  C      -4.265550     -0.521362      0.491770
  O      -5.607514     -0.552918      0.434147
  C      -3.555427     -0.623173      1.720086
  C      -4.306062     -0.819544      2.967787
  O      -5.545292     -0.950102      2.944159
  C      -3.609513     -0.928185      4.331038
  C      -2.147246     -0.586695      1.685056
  C      -1.439290     -0.441824      0.498130
  O      -0.071192     -0.402754      0.500770
  C      -9.537673      9.418607      4.682877
  C      -9.520575      7.980786      4.243021
  O     -10.552664      7.512090      3.656864
  C      -8.378874      7.145157      4.500929
  C      -7.184017      7.633308      5.096725
  C      -6.114975      6.810196      5.375607
  O      -4.964132      7.295912      5.948733
  C      -6.180749      5.402804      5.106911
  C      -5.172042      4.476518      5.470773
  O      -5.425648      3.191630      5.412710
  C      -3.781297      4.794435      5.948906
  C      -7.377302      4.916020      4.493978
  C      -8.437167      5.746685      4.191111
  O      -9.578208      5.234018      3.649839
  C     -11.938464      6.188455      6.516997
  C     -10.597074      6.490917      7.132289
  O     -10.352217      7.622026      7.551782
  C      -9.560076      5.407389      7.281455
  C      -8.462569      5.724621      8.089925
  C      -7.457144      4.799820      8.367695
  O      -6.416896      5.183750      9.133512
  C      -7.532999      3.487861      7.808747
  C      -6.396029      2.585050      7.954938
  O      -5.435685      2.891318      8.697776
  C      -6.311548      1.292844      7.129810
  C      -8.635389      3.181051      6.991063
  C      -9.620307      4.112215      6.694060
  O     -10.581957      3.721460      5.794273
  H       0.386494      0.728273     -1.682469
  H       0.202897     -0.003646     -3.320034
  H       0.441159     -1.019761     -1.848049
  H      -4.082269     -0.312873     -1.641586
  H      -5.906994     -0.712946      1.383247
  H      -4.437324     -1.109477      5.040748
  H      -2.982751     -1.840643      4.315168
  H      -1.604596     -0.662882      2.626886
  H       0.234216     -0.445782      1.425439
  H      -9.546535      9.472668      5.783202
  H      -8.653114      9.965807      4.325540
  H     -10.441795      9.903584      4.298552
  H      -7.111233      8.693427      5.348342
  H      -5.088852      8.246610      6.120476
  H      -3.252871      5.397462      5.182776
  H      -3.803768      5.418088      6.859543
  H      -7.457698      3.852164      4.278275
  H     -10.167220      6.084822      3.498546
  H     -11.848212      6.230622      5.418393
  H     -12.298717      5.188709      6.786829
  H     -12.647555      6.965577      6.825291
  H      -8.404493      6.727087      8.513583
  H      -5.820914      4.369731      9.179047
  H      -6.866012      1.437711      6.198113
  H      -6.838181      0.498872      7.696030
  H      -8.708699      2.210193      6.503385
  H     -10.484424      4.284472      4.985938
  N      -4.143794      2.123086      3.548362
  H      -4.886443      2.731303      3.202627
  H      -3.703807      1.594331      2.798509
95
Coordinates from ORCA-job orca E -6661.172886830534
  N      -2.830297      0.215687      4.735789
  Mo     -3.833762      1.862084      5.478372
  N      -4.950980      0.900001      6.837876
  C      -4.327662      0.188439      7.954835
  C      -2.840764     -0.008074      7.694590
  N      -2.284824      1.197744      7.028496
  C      -1.067674      0.884255      6.254691
  C      -1.448745     -0.028001      5.086378
  C      -2.069934      2.321498      7.972091
  C      -2.020053      3.606184      7.165776
  N      -3.097031      3.538648      6.189062
  H      -0.735569      0.171268      4.258988
  H      -1.308016     -1.091722      5.358442
  H      -0.655029      1.831887      5.886594
  H      -0.305084      0.410327      6.897539
  H      -2.177029      4.462479      7.842931
  H      -1.037808      3.766083      6.682256
  H      -2.948683      2.356978      8.628899
  H      -1.164873      2.150872      8.580723
  H      -4.794939     -0.804882      8.101813
  H      -4.486443      0.753024      8.889037
  H      -2.688802     -0.857076      7.020364
  H      -2.294799     -0.216215      8.630455
  C       0.032271     -0.146974     -2.231827
  C      -1.466877     -0.206878     -2.092089
  O      -2.183977     -0.129699     -3.084777
  C      -2.106536     -0.361077     -0.731851
  C      -3.501576     -0.374974     -0.709252
  C      -4.237359     -0.507794      0.470242
  O      -5.579130     -0.510345      0.400090
  C      -3.541152     -0.633100      1.704616
  C      -4.307200     -0.817566      2.944600
  O      -5.547965     -0.930061      2.908652
  C      -3.626008     -0.924587      4.315733
  C      -2.132414     -0.629784      1.682291
  C      -1.410394     -0.492756      0.502935
  O      -0.041595     -0.488931      0.518038
  C      -9.562619      9.416957      4.697761
  C      -9.545728      7.979294      4.257685
  O     -10.579659      7.509989      3.675398
  C      -8.402537      7.144198      4.512290
  C      -7.205384      7.633205      5.102828
  C      -6.133889      6.811106      5.375597
  O      -4.980271      7.298120      5.942084
  C      -6.199143      5.403909      5.105392
  C      -5.186266      4.478550      5.460472
  O      -5.437547      3.193383      5.396683
  C      -3.793437      4.797142      5.932022
  C      -7.398381      4.916248      4.498591
  C      -8.460967      5.745866      4.202295
  O      -9.604057      5.232423      3.666338
  C     -11.940810      6.207420      6.560297
  C     -10.596149      6.505246      7.170243
  O     -10.347231      7.634084      7.593932
  C      -9.559965      5.419464      7.311008
  C      -8.455338      5.735507      8.110050
  C      -7.447763      4.810172      8.378330
  O      -6.400943      5.192873      9.135600
  C      -7.528845      3.498953      7.818532
  C      -6.391658      2.595014      7.955558
  O      -5.424828      2.900630      8.690132
  C      -6.315702      1.303010      7.129041
  C      -8.638353      3.193179      7.010175
  C      -9.626115      4.124383      6.723694
  O     -10.598718      3.733885      5.834910
  H       0.448414      0.680242     -1.639599
  H       0.275887     -0.021171     -3.292284
  H       0.490263     -1.064833     -1.836806
  H      -4.029642     -0.286101     -1.659658
  H      -5.890643     -0.675419      1.344565
  H      -4.462976     -1.094361      5.017465
  H      -3.006309     -1.842074      4.314529
  H      -1.598991     -0.729835      2.627198
  H       0.253911     -0.551298      1.444808
  H      -9.577127      9.469322      5.798146
  H      -8.675673      9.963530      4.345803
  H     -10.464432      9.903286      4.309656
  H      -7.132022      8.693169      5.354828
  H      -5.105433      8.248489      6.115370
  H      -3.267705      5.394893      5.159745
  H      -3.810655      5.425558      6.839249
  H      -7.478456      3.852584      4.281816
  H     -10.194030      6.083076      3.518104
  H     -11.853486      6.240040      5.461283
  H     -12.305741      5.211384      6.837861
  H     -12.644230      6.990848      6.865391
  H      -8.392883      6.737676      8.533866
  H      -5.804831      4.378425      9.175172
  H      -6.873798      1.452559      6.200213
  H      -6.842575      0.509527      7.695600
  H      -8.716835      2.222452      6.522928
  H     -10.504269      4.291271      5.022605
  N      -4.145697      2.132230      3.532825
  H      -4.888464      2.740327      3.187074
  H      -3.710444      1.598639      2.783587
95
Coordinates from ORCA-job orca E -6661.172888582987
  N      -2.841109      0.222759      4.723371
  Mo     -3.839134      1.871690      5.468768
  N      -4.950912      0.910549      6.833796
  C      -4.322702      0.197952      7.947314
  C      -2.837297      0.000302      7.679186
  N      -2.283907      1.206303      7.010825
  C      -1.070516      0.892753      6.230974
  C      -1.457340     -0.019582      5.064333
  C      -2.063376      2.329008      7.954612
  C      -2.019277      3.614858      7.149694
  N      -3.101041      3.546889      6.178594
  H      -0.750169      0.181623      4.232415
  H      -1.313621     -1.083446      5.334873
  H      -0.660107      1.840564      5.860762
  H      -0.304694      0.419201      6.870225
  H      -2.173792      4.470234      7.828618
  H      -1.039600      3.776334      6.661356
  H      -2.937773      2.363073      8.617168
  H      -1.154146      2.157815      8.556765
  H      -4.790174     -0.794932      8.096642
  H      -4.475644      0.762549      8.882500
  H      -2.689295     -0.848335      7.003647
  H      -2.286525     -0.208417      8.612108
  C       0.075317     -0.196871     -2.216640
  C      -1.425319     -0.241350     -2.088041
  O      -2.134260     -0.157506     -3.086045
  C      -2.076581     -0.388598     -0.732527
  C      -3.471683     -0.365339     -0.717958
  C      -4.217353     -0.487438      0.456422
  O      -5.558384     -0.454631      0.379036
  C      -3.531873     -0.638798      1.694026
  C      -4.309881     -0.808157      2.928580
  O      -5.552319     -0.897016      2.884018
  C      -3.640078     -0.915421      4.305207
  C      -2.123583     -0.675260      1.679238
  C      -1.391486     -0.549601      0.504823
  O      -0.023149     -0.586565      0.527044
  C      -9.571536      9.429806      4.731384
  C      -9.558171      7.992469      4.289488
  O     -10.597701      7.523650      3.717136
  C      -8.413342      7.156292      4.534535
  C      -7.211021      7.644173      5.115567
  C      -6.138076      6.821015      5.379569
  O      -4.979428      7.306557      5.937150
  C      -6.206405      5.414049      5.109004
  C      -5.191515      4.487927      5.456183
  O      -5.443383      3.202703      5.391276
  C      -3.796064      4.805721      5.920273
  C      -7.410261      4.927676      4.510783
  C      -8.474895      5.758023      4.224028
  O      -9.622197      5.244819      3.697105
  C     -11.957904      6.192571      6.566730
  C     -10.617848      6.493914      7.184645
  O     -10.374535      7.622779      7.611017
  C      -9.576030      5.412987      7.323373
  C      -8.471620      5.734112      8.120523
  C      -7.458024      4.814242      8.385278
  O      -6.411870      5.202011      9.140734
  C      -7.532856      3.503586      7.823419
  C      -6.391117      2.604696      7.956767
  O      -5.424140      2.912924      8.689918
  C      -6.314682      1.313018      7.129602
  C      -8.642485      3.192667      7.017083
  C      -9.636311      4.118444      6.734701
  O     -10.610335      3.724050      5.848450
  H       0.498280      0.614654     -1.607906
  H       0.327969     -0.058004     -3.273342
  H       0.518446     -1.127294     -1.833966
  H      -3.991633     -0.255700     -1.670652
  H      -5.879337     -0.622478      1.319931
  H      -4.483549     -1.074624      5.001524
  H      -3.026807     -1.837223      4.315553
  H      -1.597399     -0.801648      2.625086
  H       0.265053     -0.666893      1.454702
  H      -9.583443      9.480490      5.832000
  H      -8.684602      9.975732      4.378639
  H     -10.473630      9.918024      4.346273
  H      -7.134639      8.703843      5.367912
  H      -5.102030      8.257083      6.111465
  H      -3.272872      5.399197      5.142873
  H      -3.807428      5.437412      6.825191
  H      -7.492655      3.864254      4.293746
  H     -10.212997      6.095230      3.553210
  H     -11.863709      6.219122      5.468179
  H     -12.322926      5.197018      6.846224
  H     -12.664069      6.976506      6.863871
  H      -8.413667      6.736116      8.545353
  H      -5.810721      4.391088      9.177424
  H      -6.874601      1.463974      6.202043
  H      -6.840281      0.518620      7.695982
  H      -8.716651      2.222159      6.528667
  H     -10.516537      4.278772      5.034366
  N      -4.147418      2.148298      3.523246
  H      -4.890002      2.757829      3.179544
  H      -3.719493      1.609982      2.773088
95
Coordinates from ORCA-job orca E -6661.172908427984
  N      -2.843893      0.225272      4.722438
  Mo     -3.841387      1.873306      5.469782
  N      -4.951115      0.908661      6.834137
  C      -4.321195      0.196179      7.946663
  C      -2.835939     -0.000154      7.676979
  N      -2.284114      1.207020      7.009557
  C      -1.071331      0.895373      6.227887
  C      -1.458786     -0.014766      5.059455
  C      -2.063604      2.328824      7.954400
  C      -2.020566      3.615580      7.150819
  N      -3.103047      3.548466      6.180481
  H      -0.754246      0.190108      4.226310
  H      -1.312323     -1.079023      5.327066
  H      -0.661482      1.844038      5.859304
  H      -0.304808      0.420801      6.865537
  H      -2.174573      4.470114      7.830941
  H      -1.041321      3.777842      6.661877
  H      -2.937614      2.361776      8.617570
  H      -1.154014      2.157536      8.556011
  H      -4.787718     -0.797126      8.096229
  H      -4.473593      0.760370      8.882214
  H      -2.687895     -0.847891      7.000305
  H      -2.284202     -0.209598      8.609168
  C       0.080011     -0.203313     -2.214699
  C      -1.420820     -0.244316     -2.087137
  O      -2.128979     -0.154369     -3.085171
  C      -2.073338     -0.389916     -0.732097
  C      -3.468222     -0.356333     -0.717625
  C      -4.214820     -0.476100      0.456383
  O      -5.555596     -0.432423      0.379432
  C      -3.530615     -0.636287      1.693530
  C      -4.310445     -0.803248      2.927197
  O      -5.553376     -0.884652      2.881650
  C      -3.641595     -0.913678      4.303809
  C      -2.122586     -0.683766      1.678859
  C      -1.389573     -0.559613      0.504850
  O      -0.021588     -0.606861      0.526742
  C      -9.577081      9.425376      4.722937
  C      -9.561088      7.988142      4.280811
  O     -10.598653      7.517907      3.706280
  C      -8.415758      7.153513      4.528195
  C      -7.215475      7.643025      5.111987
  C      -6.142216      6.821248      5.378863
  O      -4.985765      7.308018      5.939845
  C      -6.208447      5.414170      5.108436
  C      -5.193764      4.488990      5.458575
  O      -5.445724      3.203661      5.396129
  C      -3.798932      4.807265      5.924235
  C      -7.410029      4.926296      4.507059
  C      -8.474876      5.755210      4.217338
  O      -9.619797      5.240223      3.686784
  C     -11.955786      6.196937      6.578452
  C     -10.612945      6.497794      7.190554
  O     -10.368091      7.626350      7.616952
  C      -9.572203      5.415489      7.327219
  C      -8.466628      5.733876      8.123896
  C      -7.454829      4.811690      8.387643
  O      -6.407570      5.196833      9.142978
  C      -7.532605      3.501386      7.825370
  C      -6.392041      2.600817      7.958153
  O      -5.424533      2.908186      8.691010
  C      -6.315399      1.308904      7.131264
  C      -8.643289      3.193214      7.019300
  C      -9.635215      4.121487      6.737886
  O     -10.609398      3.730782      5.850231
  H       0.505393      0.603607     -1.601545
  H       0.333596     -0.059970     -3.270576
  H       0.519898     -1.137216     -1.836719
  H      -3.987281     -0.240246     -1.670047
  H      -5.877674     -0.600834      1.319863
  H      -4.484813     -1.074152      5.000076
  H      -3.027109     -1.834667      4.313197
  H      -1.597314     -0.818454      2.624114
  H       0.266234     -0.690669      1.454179
  H      -9.590362      9.476022      5.823541
  H      -8.690488      9.972695      4.371344
  H     -10.479363      9.912337      4.336741
  H      -7.141188      8.702844      5.364470
  H      -5.109650      8.258524      6.113410
  H      -3.275575      5.403105      5.148805
  H      -3.811722      5.437113      6.830532
  H      -7.490461      3.862770      4.289818
  H     -10.212252      6.089013      3.541697
  H     -11.867348      6.225485      5.479456
  H     -12.319023      5.200709      6.857966
  H     -12.660929      6.979944      6.880513
  H      -8.406533      6.735425      8.549436
  H      -5.808518      4.384414      9.179499
  H      -6.877177      1.457432      6.204406
  H      -6.838545      0.513974      7.699202
  H      -8.719486      2.223335      6.529975
  H     -10.513902      4.287522      5.037685
  N      -4.151249      2.152776      3.525015
  H      -4.893629      2.763351      3.182734
  H      -3.724969      1.614805      2.773655
95
Coordinates from ORCA-job orca E -6661.172925142997
  N      -2.851670      0.227930      4.719305
  Mo     -3.847451      1.874618      5.470718
  N      -4.952070      0.903341      6.834539
  C      -4.317749      0.191347      7.944781
  C      -2.832985     -0.002416      7.670781
  N      -2.284642      1.207006      7.004705
  C      -1.073742      0.899061      6.218484
  C      -1.463556     -0.007127      5.047296
  C      -2.063442      2.327358      7.950945
  C      -2.022674      3.615384      7.149260
  N      -3.107587      3.549967      6.181557
  H      -0.765113      0.204318      4.210860
  H      -1.311448     -1.071948      5.309651
  H      -0.665296      1.849298      5.852528
  H      -0.305312      0.422613      6.852412
  H      -2.174545      4.468735      7.831396
  H      -1.044698      3.778365      6.658062
  H      -2.936276      2.358609      8.615844
  H      -1.152833      2.156116      8.551102
  H      -4.782362     -0.802679      8.095591
  H      -4.468291      0.755111      8.880970
  H      -2.685527     -0.848354      6.991678
  H      -2.278541     -0.213402      8.601024
  C       0.087913     -0.201300     -2.204191
  C      -1.413176     -0.246597     -2.080867
  O      -2.118687     -0.160561     -3.081137
  C      -2.069234     -0.391203     -0.727535
  C      -3.464004     -0.352784     -0.716085
  C      -4.213518     -0.471597      0.456176
  O      -5.553941     -0.422476      0.376629
  C      -3.532392     -0.636572      1.694511
  C      -4.314948     -0.800724      2.926824
  O      -5.558258     -0.876821      2.880249
  C      -3.645954     -0.914377      4.302517
  C      -2.124431     -0.689772      1.682845
  C      -1.388690     -0.565303      0.510628
  O      -0.020957     -0.617080      0.534846
  C      -9.581201      9.425092      4.710129
  C      -9.564730      7.986708      4.272045
  O     -10.601287      7.515323      3.696907
  C      -8.418780      7.153317      4.520959
  C      -7.219228      7.643798      5.105255
  C      -6.146684      6.822198      5.375784
  O      -4.991246      7.309509      5.938394
  C      -6.213149      5.414406      5.108409
  C      -5.199781      4.489548      5.463726
  O      -5.452414      3.203920      5.406642
  C      -3.805688      4.808500      5.931301
  C      -7.413854      4.925740      4.505990
  C      -8.477819      5.754629      4.212777
  O      -9.622343      5.239419      3.681822
  C     -11.948179      6.202097      6.588846
  C     -10.602063      6.501246      7.194833
  O     -10.353073      7.630500      7.617117
  C      -9.563556      5.416877      7.329619
  C      -8.456974      5.731921      8.126335
  C      -7.448018      4.806736      8.390082
  O      -6.399107      5.189115      9.144685
  C      -7.530129      3.496443      7.828572
  C      -6.392254      2.592685      7.961995
  O      -5.424632      2.897134      8.696013
  C      -6.316368      1.300831      7.135386
  C      -8.641612      3.191488      7.022457
  C      -9.630134      4.123169      6.740038
  O     -10.603468      3.735418      5.850458
  H       0.510256      0.604722     -1.587798
  H       0.343900     -0.054864     -3.259066
  H       0.528682     -1.135442     -1.827741
  H      -3.980631     -0.233752     -1.669466
  H      -5.878627     -0.593624      1.315830
  H      -4.486896     -1.078548      5.000528
  H      -3.026852     -1.832197      4.309655
  H      -1.601457     -0.829449      2.628803
  H       0.265286     -0.699770      1.462833
  H      -9.591616      9.479274      5.810526
  H      -8.696072      9.972351      4.354499
  H     -10.484903      9.909944      4.324670
  H      -7.145387      8.704154      5.355751
  H      -5.114692      8.260564      6.109252
  H      -3.282644      5.410560      5.160634
  H      -3.821113      5.433215      6.841383
  H      -7.494537      3.861723      4.291160
  H     -10.214424      6.088070      3.535693
  H     -11.866272      6.233742      5.489433
  H     -12.310797      5.205547      6.868158
  H     -12.651602      6.984459      6.896697
  H      -8.394018      6.733289      8.551886
  H      -5.802433      4.375030      9.180820
  H      -6.881872      1.445006      6.210082
  H      -6.835177      0.505517      7.706858
  H      -8.720512      2.221912      6.533055
  H     -10.510490      4.297659      5.041346
  N      -4.163747      2.158749      3.527993
  H      -4.907429      2.769537      3.188924
  H      -3.737950      1.624384      2.773806
95
Coordinates from ORCA-job orca E -6661.172937308642
  N      -2.862869      0.235077      4.712008
  Mo     -3.854721      1.881975      5.467314
  N      -4.952112      0.904756      6.832972
  C      -4.311337      0.192876      7.939583
  C      -2.827666      0.001590      7.658295
  N      -2.284142      1.213453      6.992623
  C      -1.076486      0.909356      6.199901
  C      -1.470503      0.007319      5.026065
  C      -2.060378      2.331842      7.940551
  C      -2.025563      3.621844      7.141783
  N      -3.114956      3.557103      6.179338
  H      -0.781600      0.228442      4.184545
  H      -1.309849     -1.058132      5.281264
  H      -0.670169      1.861338      5.836210
  H      -0.305229      0.431068      6.828952
  H      -2.174880      4.473368      7.826842
  H      -1.050160      3.787102      6.646183
  H      -2.930048      2.359876      8.609717
  H      -1.146691      2.160894      8.536127
  H      -4.773934     -0.801756      8.092650
  H      -4.457706      0.756284      8.876698
  H      -2.681883     -0.842403      6.976399
  H      -2.268631     -0.210672      8.585516
  C       0.118427     -0.236178     -2.191143
  C      -1.383653     -0.265609     -2.075296
  O      -2.083199     -0.168669     -3.078781
  C      -2.048077     -0.406127     -0.725703
  C      -3.441039     -0.324034     -0.717684
  C      -4.197267     -0.433753      0.451131
  O      -5.535255     -0.340170      0.369455
  C      -3.525442     -0.635154      1.689232
  C      -4.317053     -0.788051      2.917121
  O      -5.561649     -0.834558      2.864733
  C      -3.655264     -0.908679      4.295291
  C      -2.120030     -0.734811      1.680386
  C      -1.377335     -0.618495      0.511773
  O      -0.012142     -0.717595      0.538095
  C      -9.592312      9.428778      4.711198
  C      -9.576247      7.989823      4.274941
  O     -10.614327      7.517348      3.703829
  C      -8.429338      7.157098      4.522834
  C      -7.228960      7.648613      5.104396
  C      -6.156182      6.827414      5.375390
  O      -4.999851      7.315664      5.935367
  C      -6.223172      5.419021      5.110852
  C      -5.209320      4.494910      5.467015
  O      -5.461427      3.208923      5.411740
  C      -3.815548      4.815017      5.934732
  C      -7.424496      4.929344      4.510895
  C      -8.488916      5.757794      4.217931
  O      -9.634324      5.241273      3.690330
  C     -11.952189      6.197466      6.606856
  C     -10.603376      6.497933      7.206229
  O     -10.354188      7.627069      7.628552
  C      -9.564438      5.413936      7.338932
  C      -8.456274      5.729550      8.133188
  C      -7.446625      4.804718      8.395368
  O      -6.396650      5.187382      9.148463
  C      -7.529714      3.494266      7.834636
  C      -6.391086      2.591024      7.965843
  O      -5.420945      2.897235      8.695870
  C      -6.315995      1.299017      7.139876
  C      -8.643054      3.188368      7.031464
  C      -9.632226      4.119837      6.750379
  O     -10.607772      3.730841      5.863633
  H       0.549527      0.550204     -1.555887
  H       0.380993     -0.071949     -3.241783
  H       0.544504     -1.184494     -1.833433
  H      -3.950768     -0.177097     -1.670871
  H      -5.867830     -0.515239      1.305274
  H      -4.498800     -1.069888      4.990608
  H      -3.036372     -1.826461      4.307116
  H      -1.604050     -0.909445      2.624310
  H       0.268973     -0.819849      1.465673
  H      -9.601146      9.484372      5.811536
  H      -8.707842      9.975924      4.353764
  H     -10.496732      9.912848      4.326448
  H      -7.154633      8.709510      5.352497
  H      -5.122514      8.267259      6.103775
  H      -3.293748      5.422303      5.167464
  H      -3.832419      5.435224      6.848091
  H      -7.505645      3.864885      4.298319
  H     -10.226818      6.089219      3.544149
  H     -11.876176      6.227471      5.507121
  H     -12.313283      5.201202      6.889449
  H     -12.654531      6.979786      6.917289
  H      -8.392744      6.731106      8.558292
  H      -5.800832      4.372657      9.185568
  H      -6.886295      1.439719      6.216960
  H      -6.829671      0.502937      7.715000
  H      -8.722845      2.218464      6.542903
  H     -10.520554      4.295473      5.055393
  N      -4.170759      2.174762      3.525967
  H      -4.913886      2.787991      3.190039
  H      -3.753548      1.636331      2.769764
95
Coordinates from ORCA-job orca E -6661.172946174443
  N      -2.868752      0.236609      4.707660
  Mo     -3.858547      1.884410      5.463963
  N      -4.953339      0.906127      6.831036
  C      -4.309772      0.193301      7.935621
  C      -2.826550      0.002968      7.651187
  N      -2.284800      1.215773      6.985632
  C      -1.078595      0.913006      6.190231
  C      -1.474542      0.012192      5.015783
  C      -2.059737      2.333382      7.934166
  C      -2.027914      3.624230      7.136703
  N      -3.119245      3.559351      6.176574
  H      -0.789719      0.236902      4.172013
  H      -1.310291     -1.053337      5.268529
  H      -0.673143      1.865556      5.827107
  H      -0.306206      0.434104      6.817405
  H      -2.176483      4.474930      7.822973
  H      -1.053686      3.790842      6.639196
  H      -2.927814      2.359947      8.605394
  H      -1.144494      2.162675      8.527433
  H      -4.771713     -0.801601      8.088905
  H      -4.454322      0.755929      8.873465
  H      -2.681616     -0.840161      6.968058
  H      -2.265570     -0.209976      8.577090
  C       0.134045     -0.243086     -2.181802
  C      -1.368393     -0.275516     -2.071505
  O      -2.064432     -0.180414     -3.077608
  C      -2.037432     -0.415131     -0.724201
  C      -3.429610     -0.319650     -0.719092
  C      -4.189437     -0.426579      0.447636
  O      -5.526384     -0.320250      0.363528
  C      -3.522369     -0.638477      1.686505
  C      -4.318156     -0.786571      2.912167
  O      -5.562911     -0.823291      2.856496
  C      -3.660176     -0.908311      4.291917
  C      -2.118164     -0.752947      1.680243
  C      -1.371705     -0.639821      0.513721
  O      -0.007749     -0.755328      0.542076
  C      -9.597899      9.430649      4.716572
  C      -9.582895      7.991589      4.280467
  O     -10.622569      7.518800      3.712437
  C      -8.435912      7.158536      4.526770
  C      -7.234292      7.649947      5.105882
  C      -6.161239      6.828589      5.375185
  O      -5.003833      7.316785      5.932893
  C      -6.228820      5.420156      5.111009
  C      -5.214393      4.496242      5.465795
  O      -5.466191      3.210196      5.410693
  C      -3.820659      4.816927      5.933354
  C      -7.431413      4.930510      4.513482
  C      -8.496424      5.759053      4.222730
  O      -9.643429      5.242328      3.698200
  C     -11.951675      6.199159      6.612751
  C     -10.602301      6.499031      7.211314
  O     -10.350957      7.629071      7.629855
  C      -9.563778      5.414755      7.344024
  C      -8.454880      5.730823      8.136990
  C      -7.444876      4.806175      8.398463
  O      -6.393663      5.189528      9.149508
  C      -7.528631      3.495465      7.838392
  C      -6.389724      2.592258      7.967721
  O      -5.419787      2.896799      8.698708
  C      -6.316469      1.300372      7.141583
  C      -8.642881      3.189090      7.036771
  C      -9.632256      4.120405      6.755944
  O     -10.608094      3.731178      5.869850
  H       0.562738      0.537419     -1.537772
  H       0.400037     -0.069448     -3.230074
  H       0.559460     -1.194614     -1.831834
  H      -3.935762     -0.164486     -1.672875
  H      -5.862803     -0.497630      1.297456
  H      -4.505256     -1.067058      4.985805
  H      -3.041337     -1.825945      4.307802
  H      -1.605967     -0.938442      2.624198
  H       0.270590     -0.864565      1.469700
  H      -9.604488      9.486405      5.816915
  H      -8.714087      9.977617      4.357336
  H     -10.503062      9.914747      4.333568
  H      -7.159125      8.710931      5.353267
  H      -5.126090      8.268426      6.101296
  H      -3.299361      5.425763      5.167017
  H      -3.838107      5.435970      6.847581
  H      -7.513178      3.865976      4.301515
  H     -10.236644      6.090302      3.553248
  H     -11.876015      6.228230      5.512977
  H     -12.313817      5.203567      6.896272
  H     -12.653137      6.982399      6.922861
  H      -8.390817      6.732663      8.561378
  H      -5.797375      4.375030      9.185931
  H      -6.888984      1.440993      6.220091
  H      -6.828559      0.504248      7.718117
  H      -8.723122      2.218980      6.548680
  H     -10.520520      4.294786      5.060747
  N      -4.172560      2.180990      3.522978
  H      -4.915095      2.795199      3.187431
  H      -3.757779      1.640949      2.766517
95
Coordinates from ORCA-job orca E -6661.172952779480
  N      -2.877876      0.234148      4.703092
  Mo     -3.862527      1.885262      5.459583
  N      -4.954426      0.908815      6.830270
  C      -4.307120      0.195039      7.932537
  C      -2.824747      0.004283      7.643621
  N      -2.284211      1.216737      6.976305
  C      -1.080882      0.912967      6.177026
  C      -1.481322      0.012755      5.003226
  C      -2.055427      2.334259      7.923979
  C      -2.026866      3.625155      7.126659
  N      -3.121794      3.560049      6.170788
  H      -0.801957      0.239867      4.155863
  H      -1.313738     -1.052702      5.254158
  H      -0.675211      1.865157      5.813265
  H      -0.307472      0.432737      6.801912
  H      -2.172915      4.475801      7.813562
  H      -1.054540      3.791928      6.625449
  H      -2.920866      2.360713      8.598528
  H      -1.137868      2.163648      8.513706
  H      -4.768964     -0.799715      8.086971
  H      -4.448644      0.757517      8.870872
  H      -2.682057     -0.838746      6.959938
  H      -2.261060     -0.208969      8.567825
  C       0.150066     -0.232654     -2.163496
  C      -1.352638     -0.281055     -2.062501
  O      -2.043374     -0.199097     -3.073399
  C      -2.028151     -0.422528     -0.718891
  C      -3.419721     -0.317511     -0.718618
  C      -4.184481     -0.423644      0.444961
  O      -5.520450     -0.308208      0.356214
  C      -3.523236     -0.643947      1.685483
  C      -4.323329     -0.788447      2.908678
  O      -5.568114     -0.816672      2.850047
  C      -3.668769     -0.912182      4.289545
  C      -2.120104     -0.769531      1.683529
  C      -1.368598     -0.658324      0.520075
  O      -0.005909     -0.788439      0.551649
  C      -9.595806      9.435747      4.723246
  C      -9.586017      7.995699      4.290020
  O     -10.629454      7.523345      3.728216
  C      -8.439217      7.161380      4.531635
  C      -7.234284      7.652171      5.104308
  C      -6.161370      6.829866      5.370498
  O      -5.001293      7.317634      5.922802
  C      -6.231770      5.421080      5.109038
  C      -5.217436      4.496836      5.462216
  O      -5.470169      3.210973      5.408552
  C      -3.823635      4.817521      5.929606
  C      -7.437539      4.931993      4.517320
  C      -8.502878      5.761417      4.230340
  O      -9.653750      5.244918      3.713253
  C     -11.955921      6.193513      6.616910
  C     -10.604964      6.497315      7.210285
  O     -10.353613      7.629482      7.622836
  C      -9.565535      5.414462      7.345500
  C      -8.455850      5.733685      8.136143
  C      -7.444720      4.810430      8.398610
  O      -6.392612      5.196176      9.147293
  C      -7.528305      3.498304      7.841793
  C      -6.388480      2.595927      7.970914
  O      -5.416957      2.902925      8.698738
  C      -6.316638      1.303408      7.145899
  C      -8.643609      3.188874      7.042961
  C      -9.634250      4.118579      6.760794
  O     -10.610825      3.726223      5.877617
  H       0.568520      0.543886     -1.508080
  H       0.420313     -0.045226     -3.208321
  H       0.581966     -1.184632     -1.822762
  H      -3.921370     -0.155494     -1.673637
  H      -5.861934     -0.488567      1.287556
  H      -4.514897     -1.067809      4.982728
  H      -3.049628     -1.829291      4.309618
  H      -1.612831     -0.963808      2.628568
  H       0.269020     -0.905119      1.479387
  H      -9.594360      9.493680      5.823559
  H      -8.713737      9.980477      4.356470
  H     -10.502971      9.920399      4.345657
  H      -7.156509      8.713474      5.349357
  H      -5.122079      8.269587      6.090452
  H      -3.302577      5.428671      5.165089
  H      -3.842072      5.434497      6.845382
  H      -7.521716      3.867126      4.308004
  H     -10.246453      6.093799      3.568593
  H     -11.883378      6.222456      5.516897
  H     -12.315705      5.197720      6.902479
  H     -12.657955      6.975656      6.928548
  H      -8.392002      6.736686      8.557801
  H      -5.796239      4.381810      9.185893
  H      -6.892736      1.442552      6.226532
  H      -6.825558      0.507647      7.725741
  H      -8.723987      2.217327      6.557769
  H     -10.527579      4.289097      5.067329
  N      -4.175103      2.184194      3.519041
  H      -4.916171      2.800033      3.183075
  H      -3.763962      1.640431      2.763196
95
Coordinates from ORCA-job orca E -6661.172958987260
  N      -2.879514      0.235113      4.701436
  Mo     -3.864209      1.886270      5.458108
  N      -4.955613      0.909054      6.828603
  C      -4.307657      0.194565      7.930097
  C      -2.825130      0.005015      7.641015
  N      -2.285299      1.218109      6.974163
  C      -1.082041      0.915247      6.174478
  C      -1.482312      0.015567      5.000058
  C      -2.056994      2.335137      7.922575
  C      -2.030334      3.626788      7.126399
  N      -3.125747      3.561102      6.171217
  H      -0.804214      0.244553      4.152235
  H      -1.313020     -1.049917      5.249847
  H      -0.676564      1.867788      5.811403
  H      -0.308543      0.434695      6.799016
  H      -2.177043      4.476708      7.814076
  H      -1.058512      3.795163      6.624722
  H      -2.922152      2.360149      8.597543
  H      -1.138943      2.164888      8.511614
  H      -4.768841     -0.800626      8.083662
  H      -4.449487      0.756150      8.868939
  H      -2.681739     -0.837631      6.957032
  H      -2.261340     -0.208122      8.565182
  C       0.158197     -0.234542     -2.160299
  C      -1.344606     -0.287313     -2.062289
  O      -2.033669     -0.206388     -3.074395
  C      -2.022219     -0.428127     -0.719789
  C      -3.412939     -0.312348     -0.720130
  C      -4.179161     -0.415885      0.442712
  O      -5.514137     -0.289467      0.353498
  C      -3.520361     -0.644543      1.682988
  C      -4.322170     -0.786191      2.905422
  O      -5.567036     -0.807695      2.845857
  C      -3.669396     -0.911602      4.286923
  C      -2.118309     -0.781609      1.681379
  C      -1.365265     -0.673379      0.518651
  O      -0.003858     -0.816306      0.550077
  C      -9.602518      9.433567      4.719693
  C      -9.592394      7.993042      4.288312
  O     -10.635203      7.520314      3.725413
  C      -8.445495      7.159184      4.531063
  C      -7.240754      7.650565      5.103731
  C      -6.167557      6.828704      5.370296
  O      -5.007656      7.317260      5.922333
  C      -6.237224      5.419764      5.109108
  C      -5.222061      4.496185      5.461942
  O      -5.473327      3.209992      5.406552
  C      -3.829030      4.817987      5.930999
  C      -7.442868      4.930133      4.517334
  C      -8.508541      5.759141      4.230375
  O      -9.659385      5.242608      3.713256
  C     -11.951359      6.199603      6.623973
  C     -10.600210      6.501339      7.217945
  O     -10.346708      7.633404      7.629609
  C      -9.561954      5.417200      7.351998
  C      -8.451095      5.735038      8.141500
  C      -7.440319      4.810806      8.401897
  O      -6.386328      5.195339      9.148486
  C      -7.525980      3.499086      7.844518
  C      -6.387000      2.595386      7.972028
  O      -5.415221      2.900140      8.700416
  C      -6.317302      1.303673      7.145758
  C      -8.642511      3.191061      7.047043
  C      -9.632764      4.121665      6.766647
  O     -10.611006      3.730431      5.885065
  H       0.574460      0.536997     -1.497654
  H       0.429706     -0.038147     -3.203161
  H       0.591116     -1.188807     -1.827349
  H      -3.912764     -0.143551     -1.674929
  H      -5.857654     -0.469308      1.284076
  H      -4.516475     -1.066715      4.979026
  H      -3.050111     -1.828529      4.308275
  H      -1.613432     -0.983625      2.626074
  H       0.269711     -0.939883      1.477306
  H      -9.601254      9.492550      5.819880
  H      -8.720518      9.977964      4.352262
  H     -10.509748      9.917587      4.341452
  H      -7.163253      8.712003      5.348297
  H      -5.129012      8.269166      6.089864
  H      -3.307938      5.430891      5.167953
  H      -3.849413      5.433502      6.847738
  H      -7.526518      3.865222      4.308012
  H     -10.251705      6.092102      3.568840
  H     -11.878078      6.231039      5.524061
  H     -12.312052      5.203526      6.907217
  H     -12.652792      6.981757      6.936971
  H      -8.385610      6.737865      8.563305
  H      -5.789893      4.380910      9.184210
  H      -6.894037      1.444550      6.227046
  H      -6.826177      0.507673      7.725256
  H      -8.724575      2.219734      6.561672
  H     -10.528024      4.292401      5.074168
  N      -4.173300      2.187588      3.517481
  H      -4.913940      2.803529      3.180769
  H      -3.762658      1.642633      2.762239
95
Coordinates from ORCA-job orca E -6661.172964425085
  N      -2.877564      0.235447      4.702623
  Mo     -3.862434      1.886678      5.459131
  N      -4.955387      0.909316      6.828113
  C      -4.308787      0.194074      7.929856
  C      -2.825827      0.004704      7.642600
  N      -2.285055      1.217780      6.976419
  C      -1.081239      0.914682      6.177674
  C      -1.480802      0.015132      5.002972
  C      -2.057358      2.334363      7.925534
  C      -2.030289      3.626503      7.130116
  N      -3.125178      3.561065      6.174346
  H      -0.801571      0.243423      4.155839
  H      -1.312402     -1.050418      5.253100
  H      -0.675018      1.867117      5.815097
  H      -0.308454      0.433630      6.802733
  H      -2.177705      4.476021      7.818148
  H      -1.058260      3.795453      6.629042
  H      -2.923116      2.359035      8.599792
  H      -1.139768      2.163676      8.515128
  H      -4.769974     -0.801358      8.081889
  H      -4.452019      0.754851      8.868987
  H      -2.681492     -0.838047      6.958938
  H      -2.263305     -0.208308      8.567560
  C       0.153057     -0.226418     -2.163058
  C      -1.349355     -0.290569     -2.064670
  O      -2.039286     -0.218303     -3.076806
  C      -2.025412     -0.430376     -0.721387
  C      -3.416219     -0.316072     -0.720336
  C      -4.180869     -0.418621      0.443601
  O      -5.516178     -0.294166      0.355958
  C      -3.520351     -0.644638      1.683252
  C      -4.321013     -0.785508      2.906513
  O      -5.565925     -0.805937      2.847993
  C      -3.667492     -0.911038      4.287676
  C      -2.118069     -0.780325      1.680363
  C      -1.366564     -0.673305      0.516523
  O      -0.005132     -0.815363      0.546042
  C      -9.604361      9.430676      4.716107
  C      -9.591654      7.990666      4.283138
  O     -10.633404      7.517059      3.718811
  C      -8.444897      7.157376      4.528283
  C      -7.241533      7.649327      5.103598
  C      -6.168157      6.828076      5.371620
  O      -5.009512      7.317073      5.926002
  C      -6.236210      5.419268      5.109383
  C      -5.220969      4.496077      5.462927
  O      -5.471710      3.209782      5.405968
  C      -3.828759      4.817979      5.934396
  C      -7.440389      4.929146      4.514972
  C      -8.506208      5.757369      4.226676
  O      -9.655534      5.240164      3.707025
  C     -11.950031      6.203109      6.625350
  C     -10.598447      6.503663      7.218910
  O     -10.344163      7.635177      7.631635
  C      -9.560781      5.418703      7.352089
  C      -8.449920      5.735350      8.141951
  C      -7.439765      4.810384      8.401913
  O      -6.386058      5.193729      9.149426
  C      -7.525937      3.499141      7.843402
  C      -6.387158      2.594960      7.970452
  O      -5.415755      2.898832      8.699657
  C      -6.317397      1.303373      7.143867
  C      -8.642475      3.192345      7.045470
  C      -9.632353      4.123649      6.765719
  O     -10.610533      3.733798      5.883562
  H       0.564281      0.546658     -1.499085
  H       0.422685     -0.026266     -3.205709
  H       0.592607     -1.178451     -1.832413
  H      -3.917449     -0.149283     -1.674755
  H      -5.858187     -0.472612      1.287190
  H      -4.514355     -1.066606      4.979968
  H      -3.048036     -1.827896      4.308153
  H      -1.612377     -0.979484      2.625221
  H       0.269793     -0.939881      1.472728
  H      -9.602879      9.488548      5.816295
  H      -8.723436      9.976891      4.348752
  H     -10.512519      9.913485      4.338597
  H      -7.165231      8.710699      5.348905
  H      -5.131838      8.268776      6.094028
  H      -3.306762      5.431741      5.172696
  H      -3.850927      5.432425      6.851802
  H      -7.522623      3.864335      4.304595
  H     -10.248434      6.089383      3.562526
  H     -11.877157      6.239625      5.525485
  H     -12.309688      5.205589      6.904452
  H     -12.651675      6.983664      6.941927
  H      -8.383981      6.737813      8.564538
  H      -5.790169      4.378928      9.184918
  H      -6.893185      1.445140      6.224678
  H      -6.826918      0.507146      7.722428
  H      -8.724880      2.221516      6.559138
  H     -10.526235      4.295277      5.072533
  N      -4.168921      2.188884      3.518294
  H      -4.909137      2.804678      3.180419
  H      -3.756368      1.644452      2.763762
95
Coordinates from ORCA-job orca E -6661.172971419013
  N      -2.878255      0.233459      4.703774
  Mo     -3.861525      1.885911      5.460586
  N      -4.954722      0.910219      6.830306
  C      -4.308391      0.194598      7.931868
  C      -2.825487      0.004492      7.644734
  N      -2.284028      1.216615      6.977288
  C      -1.080956      0.911753      6.178082
  C      -1.481914      0.011083      5.004864
  C      -2.054747      2.333342      7.925964
  C      -2.028325      3.625503      7.130426
  N      -3.124541      3.559924      6.176220
  H      -0.802136      0.236623      4.157393
  H      -1.315282     -1.054358      5.256697
  H      -0.674119      1.863508      5.814332
  H      -0.308200      0.430569      6.803111
  H      -2.174876      4.475113      7.818542
  H      -1.057011      3.794377      6.627951
  H      -2.919796      2.358448      8.601157
  H      -1.136557      2.162184      8.514434
  H      -4.769772     -0.800840      8.083376
  H      -4.451725      0.755125      8.871153
  H      -2.681450     -0.839194      6.962164
  H      -2.263179     -0.207603      8.570027
  C       0.149567     -0.206498     -2.160073
  C      -1.351915     -0.294938     -2.064509
  O      -2.040849     -0.241757     -3.078449
  C      -2.028240     -0.432740     -0.721313
  C      -3.418937     -0.317995     -0.720495
  C      -4.183402     -0.418262      0.443793
  O      -5.518596     -0.292247      0.356341
  C      -3.522749     -0.643357      1.683456
  C      -4.323207     -0.783234      2.906959
  O      -5.568198     -0.802373      2.849147
  C      -3.669343     -0.911642      4.287618
  C      -2.120322     -0.779384      1.680816
  C      -1.369053     -0.674331      0.516688
  O      -0.007929     -0.818191      0.545162
  C      -9.604374      9.427779      4.710564
  C      -9.590699      7.987401      4.278853
  O     -10.631665      7.512904      3.713549
  C      -8.443982      7.154738      4.525256
  C      -7.241250      7.647447      5.101494
  C      -6.167753      6.826693      5.370628
  O      -5.009790      7.316075      5.926263
  C      -6.234842      5.417824      5.108479
  C      -5.219681      4.495023      5.462917
  O      -5.470549      3.208550      5.406137
  C      -3.828070      4.816961      5.936057
  C      -7.438238      4.927097      4.512898
  C      -8.504210      5.754603      4.223525
  O      -9.652535      5.236649      3.702595
  C     -11.949406      6.204943      6.626275
  C     -10.597006      6.505430      7.218025
  O     -10.341545      7.637399      7.628722
  C      -9.559779      5.419880      7.351811
  C      -8.448790      5.736463      8.141429
  C      -7.439113      4.811182      8.402046
  O      -6.385561      5.194384      9.149812
  C      -7.525736      3.499762      7.843978
  C      -6.387120      2.595251      7.971646
  O      -5.415619      2.899683      8.700332
  C      -6.317028      1.303103      7.145663
  C      -8.642253      3.193142      7.045984
  C      -9.631995      4.124652      6.765940
  O     -10.609877      3.735198      5.883432
  H       0.548851      0.567997     -1.490593
  H       0.417540      0.003647     -3.201209
  H       0.602127     -1.154536     -1.835457
  H      -3.920328     -0.152289     -1.675016
  H      -5.860369     -0.466745      1.288395
  H      -4.516056     -1.067962      4.979979
  H      -3.050327     -1.828865      4.305689
  H      -1.615310     -0.976464      2.626511
  H       0.267369     -0.946818      1.471159
  H      -9.599319      9.486908      5.810641
  H      -8.725442      9.974748      4.339405
  H     -10.514406      9.908835      4.335406
  H      -7.165716      8.708879      5.346905
  H      -5.132690      8.267699      6.094362
  H      -3.305127      5.431067      5.175339
  H      -3.851728      5.430737      6.853892
  H      -7.519528      3.862238      4.302406
  H     -10.245969      6.085519      3.557297
  H     -11.877616      6.247374      5.526369
  H     -12.307152      5.205676      6.900999
  H     -12.651498      6.983419      6.947061
  H      -8.382415      6.739131      8.563453
  H      -5.790131      4.379352      9.185982
  H      -6.892759      1.444712      6.226396
  H      -6.826065      0.506744      7.724362
  H      -8.724813      2.222318      6.559638
  H     -10.525027      4.296134      5.072193
  N      -4.166679      2.187589      3.519533
  H      -4.905537      2.804148      3.180146
  H      -3.755134      1.640300      2.766532
95
Coordinates from ORCA-job orca E -6661.172977043771
  N      -2.877429      0.236301      4.702877
  Mo     -3.859359      1.889574      5.460121
  N      -4.953135      0.912708      6.828261
  C      -4.307290      0.195267      7.928806
  C      -2.824073      0.005810      7.642290
  N      -2.282418      1.218580      6.975998
  C      -1.079484      0.914473      6.176258
  C      -1.480815      0.014179      5.002865
  C      -2.052947      2.333930      7.926361
  C      -2.027293      3.627276      7.132741
  N      -3.124439      3.562547      6.179618
  H      -0.801811      0.239989      4.154864
  H      -1.313737     -1.051313      5.254354
  H      -0.672851      1.866546      5.813067
  H      -0.306475      0.432898      6.800693
  H      -2.173346      4.475924      7.822169
  H      -1.056591      3.796973      6.629391
  H      -2.917883      2.357798      8.601758
  H      -1.134544      2.161835      8.514187
  H      -4.768373     -0.800669      8.078113
  H      -4.451370      0.753959      8.869082
  H      -2.679273     -0.837568      6.959511
  H      -2.262362     -0.206394      8.567917
  C       0.146769     -0.195889     -2.157897
  C      -1.353136     -0.311847     -2.065170
  O      -2.040387     -0.284732     -3.081214
  C      -2.029863     -0.444712     -0.721840
  C      -3.420005     -0.324561     -0.720812
  C      -4.184141     -0.419960      0.444204
  O      -5.518867     -0.288771      0.357322
  C      -3.523585     -0.646276      1.683708
  C      -4.323725     -0.780438      2.908058
  O      -5.568918     -0.792356      2.851684
  C      -3.668846     -0.909055      4.288217
  C      -2.121636     -0.788899      1.680503
  C      -1.370797     -0.688162      0.515829
  O      -0.010560     -0.839861      0.542258
  C      -9.604430      9.429338      4.713488
  C      -9.590427      7.989067      4.281420
  O     -10.630848      7.514582      3.714949
  C      -8.443434      7.156878      4.527063
  C      -7.241358      7.649657      5.104589
  C      -6.167739      6.829122      5.373679
  O      -5.010497      7.318230      5.931166
  C      -6.233816      5.420544      5.109660
  C      -5.218746      4.497769      5.464260
  O      -5.468836      3.211075      5.404229
  C      -3.828758      4.819619      5.941882
  C      -7.436397      4.929915      4.512371
  C      -8.502728      5.757091      4.223475
  O      -9.650434      5.239119      3.701449
  C     -11.951831      6.201620      6.624459
  C     -10.599568      6.503316      7.215827
  O     -10.345570      7.635126      7.627724
  C      -9.561872      5.418179      7.350462
  C      -8.451990      5.734608      8.141703
  C      -7.441902      4.809710      8.402329
  O      -6.389516      5.192592      9.151935
  C      -7.526997      3.498949      7.842542
  C      -6.387775      2.595142      7.970364
  O      -5.416322      2.900506      8.698673
  C      -6.315986      1.303850      7.142897
  C      -8.642533      3.192465      7.043136
  C      -9.632725      4.123584      6.763295
  O     -10.609886      3.734591      5.879698
  H       0.533315      0.578697     -1.481268
  H       0.412290      0.026468     -3.197142
  H       0.613563     -1.139946     -1.841670
  H      -3.921409     -0.158791     -1.675310
  H      -5.860871     -0.461631      1.289693
  H      -4.514955     -1.065147      4.981365
  H      -3.049699     -1.826187      4.305792
  H      -1.617619     -0.987930      2.626286
  H       0.265125     -0.974515      1.467263
  H      -9.594734      9.488677      5.813496
  H      -8.727727      9.977286      4.338321
  H     -10.516580      9.909173      4.341972
  H      -7.166698      8.710794      5.351597
  H      -5.134017      8.269524      6.100684
  H      -3.304285      5.436969      5.184920
  H      -3.855878      5.429726      6.862114
  H      -7.516865      3.865251      4.300550
  H     -10.244282      6.087741      3.556724
  H     -11.880534      6.251729      5.524729
  H     -12.306149      5.199535      6.892897
  H     -12.655872      6.976299      6.950175
  H      -8.386679      6.736920      8.564752
  H      -5.793556      4.377960      9.187603
  H      -6.890843      1.446746      6.223243
  H      -6.825085      0.506326      7.719842
  H      -8.723920      2.222202      6.555462
  H     -10.525050      4.296522      5.069220
  N      -4.159328      2.194887      3.518823
  H      -4.897472      2.811439      3.177901
  H      -3.746153      1.647536      2.766766
95
Coordinates from ORCA-job orca E -6661.172982146985
  N      -2.875466      0.234562      4.705528
  Mo     -3.857420      1.888064      5.462466
  N      -4.951629      0.911618      6.830403
  C      -4.306601      0.194945      7.931772
  C      -2.823305      0.004838      7.646002
  N      -2.281233      1.216982      6.978930
  C      -1.078204      0.912088      6.179592
  C      -1.479592      0.010470      5.007450
  C      -2.051459      2.332804      7.928736
  C      -2.024865      3.625605      7.134274
  N      -3.122332      3.561117      6.181452
  H      -0.799168      0.233624      4.159831
  H      -1.314374     -1.054831      5.260874
  H      -0.671868      1.863835      5.815226
  H      -0.304945      0.431467      6.804457
  H      -2.169935      4.474802      7.823230
  H      -1.054183      3.794069      6.630522
  H      -2.916569      2.357558      8.603871
  H      -1.133354      2.160519      8.516985
  H      -4.767973     -0.800796      8.081596
  H      -4.450942      0.754254      8.871651
  H      -2.678469     -0.839278      6.964180
  H      -2.261998     -0.206543      8.572058
  C       0.135031     -0.176729     -2.158665
  C      -1.363271     -0.311812     -2.065533
  O      -2.050683     -0.302437     -3.081735
  C      -2.038116     -0.442700     -0.721145
  C      -3.428762     -0.329693     -0.718901
  C      -4.190822     -0.424923      0.447636
  O      -5.526144     -0.299526      0.362498
  C      -3.527479     -0.645279      1.686722
  C      -4.325441     -0.780953      2.912224
  O      -5.570717     -0.796699      2.857675
  C      -3.667922     -0.910100      4.291142
  C      -2.124691     -0.780458      1.682239
  C      -1.376051     -0.678509      0.516359
  O      -0.014902     -0.822429      0.540664
  C      -9.597858      9.430374      4.711111
  C      -9.584773      7.990260      4.278521
  O     -10.625448      7.516804      3.711685
  C      -8.438507      7.157279      4.524968
  C      -7.236780      7.649434      5.103608
  C      -6.163891      6.828381      5.373719
  O      -5.006829      7.316904      5.932116
  C      -6.230482      5.419783      5.109732
  C      -5.216108      4.496690      5.465421
  O      -5.466416      3.209892      5.405594
  C      -3.826528      4.818289      5.944197
  C      -7.432947      4.929635      4.511808
  C      -8.498543      5.757472      4.221676
  O      -9.646107      5.240271      3.699007
  C     -11.952282      6.197015      6.616642
  C     -10.600548      6.500387      7.208342
  O     -10.347496      7.632932      7.618740
  C      -9.562100      5.416190      7.344355
  C      -8.453455      5.733505      8.137053
  C      -7.443267      4.809203      8.399555
  O      -6.392255      5.192899      9.150716
  C      -7.526922      3.498173      7.840232
  C      -6.387685      2.594810      7.970086
  O      -5.417066      2.900664      8.699266
  C      -6.314745      1.302975      7.143470
  C      -8.641014      3.190871      7.039123
  C      -9.631103      4.121431      6.757450
  O     -10.606862      3.731218      5.872601
  H       0.512694      0.602088     -1.481985
  H       0.397580      0.048376     -3.198073
  H       0.612712     -1.115558     -1.842898
  H      -3.932370     -0.169926     -1.673268
  H      -5.865732     -0.470034      1.296380
  H      -4.512556     -1.067928      4.985742
  H      -3.048689     -1.827254      4.305351
  H      -1.618589     -0.974138      2.628001
  H       0.263187     -0.954947      1.465261
  H      -9.584990      9.490007      5.811031
  H      -8.722200      9.978321      4.333387
  H     -10.510995      9.910173      4.341978
  H      -7.161887      8.710563      5.350553
  H      -5.129945      8.268284      6.101403
  H      -3.301426      5.436359      5.188266
  H      -3.854309      5.427527      6.865013
  H      -7.513991      3.864946      4.300316
  H     -10.239192      6.089127      3.553789
  H     -11.880806      6.248608      5.516927
  H     -12.305167      5.194116      6.883874
  H     -12.657529      6.970431      6.942735
  H      -8.389398      6.735979      8.559927
  H      -5.795833      4.378636      9.187432
  H      -6.888613      1.445162      6.223074
  H      -6.824615      0.505822      7.720251
  H      -8.721124      2.220406      6.551668
  H     -10.522863      4.294415      5.062954
  N      -4.158239      2.191481      3.520839
  H      -4.896119      2.807983      3.179279
  H      -3.745009      1.643316      2.769407
95
Coordinates from ORCA-job orca E -6661.172988862205
  N      -2.874440      0.233941      4.706347
  Mo     -3.856300      1.887722      5.463163
  N      -4.949995      0.910967      6.831319
  C      -4.305341      0.195550      7.933499
  C      -2.822154      0.004782      7.647580
  N      -2.280395      1.216491      6.979431
  C      -1.077526      0.911229      6.179860
  C      -1.479326      0.007749      5.009502
  C      -2.049891      2.332746      7.928708
  C      -2.022872      3.624986      7.133466
  N      -3.121150      3.560833      6.181500
  H      -0.797858      0.228181      4.161967
  H      -1.315847     -1.057289      5.265086
  H      -0.672665      1.862833      5.813494
  H      -0.303093      0.432657      6.804824
  H      -2.166329      4.474720      7.822083
  H      -1.052441      3.791997      6.628788
  H      -2.914690      2.358201      8.604174
  H      -1.131685      2.160368      8.516798
  H      -4.767054     -0.799829      8.084749
  H      -4.449118      0.755892      8.872848
  H      -2.677634     -0.840011      6.966583
  H      -2.260527     -0.205676      8.573643
  C       0.128071     -0.157810     -2.156759
  C      -1.367654     -0.319506     -2.064802
  O      -2.053454     -0.335295     -3.081936
  C      -2.042316     -0.446156     -0.719928
  C      -3.433041     -0.335853     -0.717942
  C      -4.194492     -0.428625      0.449447
  O      -5.529750     -0.304015      0.364830
  C      -3.530363     -0.646129      1.688787
  C      -4.327713     -0.780682      2.914683
  O      -5.573080     -0.797693      2.860767
  C      -3.668859     -0.909586      4.293103
  C      -2.127282     -0.779102      1.684157
  C      -1.379400     -0.677195      0.517978
  O      -0.017771     -0.818213      0.541326
  C      -9.594263      9.432009      4.712869
  C      -9.582064      7.991921      4.279879
  O     -10.622798      7.519343      3.712797
  C      -8.435759      7.158549      4.525702
  C      -7.234097      7.650160      5.104716
  C      -6.161508      6.828716      5.374604
  O      -5.004429      7.316537      5.933490
  C      -6.228508      5.420259      5.109785
  C      -5.214409      4.496903      5.465453
  O      -5.464660      3.210073      5.405113
  C      -3.825082      4.818162      5.944899
  C      -7.430925      4.930640      4.511502
  C      -8.496329      5.759005      4.221601
  O      -9.644050      5.242411      3.698763
  C     -11.952361      6.194541      6.610005
  C     -10.601283      6.498070      7.203070
  O     -10.348117      7.631020      7.612178
  C      -9.563014      5.414064      7.340582
  C      -8.455567      5.731671      8.134891
  C      -7.445259      4.807814      8.398482
  O      -6.395263      5.191995      9.150872
  C      -7.527410      3.496916      7.838785
  C      -6.387699      2.594547      7.969380
  O      -5.417832      2.900774      8.699473
  C      -6.313401      1.302601      7.142972
  C      -8.640423      3.189061      7.036220
  C      -9.630278      4.119349      6.753491
  O     -10.604750      3.728762      5.866760
  H       0.493402      0.623624     -1.476579
  H       0.387455      0.074528     -3.195383
  H       0.619870     -1.090820     -1.845016
  H      -3.937433     -0.180553     -1.672633
  H      -5.868423     -0.472783      1.299781
  H      -4.512771     -1.067389      4.988638
  H      -3.051024     -1.827762      4.305550
  H      -1.620196     -0.971757      2.629572
  H       0.261352     -0.949643      1.465773
  H      -9.577861      9.492407      5.812673
  H      -8.719879      9.980139      4.332352
  H     -10.508571      9.911535      4.346252
  H      -7.159143      8.711153      5.352140
  H      -5.127180      8.267910      6.103027
  H      -3.299600      5.436733      5.189611
  H      -3.852691      5.426800      6.866134
  H      -7.512444      3.866063      4.299624
  H     -10.237238      6.090837      3.553972
  H     -11.879962      6.244527      5.510297
  H     -12.305841      5.191973      6.877821
  H     -12.657741      6.968606      6.934230
  H      -8.392537      6.734112      8.558040
  H      -5.798202      4.378107      9.187716
  H      -6.886231      1.444215      6.221835
  H      -6.824371      0.505578      7.719035
  H      -8.719338      2.218679      6.548453
  H     -10.519150      4.292574      5.057544
  N      -4.157192      2.189998      3.520884
  H      -4.895266      2.806215      3.179212
  H      -3.744713      1.640951      2.769661
95
Coordinates from ORCA-job orca E -6661.172993934492
  N      -2.869519      0.231186      4.711205
  Mo     -3.853200      1.884576      5.466764
  N      -4.948679      0.907589      6.833413
  C      -4.306142      0.193855      7.937827
  C      -2.822606      0.002436      7.654315
  N      -2.279908      1.213584      6.985971
  C      -1.075794      0.907690      6.188443
  C      -1.475876      0.002480      5.019120
  C      -2.050615      2.330664      7.934588
  C      -2.021265      3.621997      7.138085
  N      -3.118304      3.558173      6.184548
  H      -0.791060      0.219709      4.173371
  H      -1.315226     -1.062300      5.277344
  H      -0.671349      1.858964      5.820747
  H      -0.301571      0.430911      6.815013
  H      -2.164549      4.472560      7.825691
  H      -1.049943      3.787326      6.634616
  H      -2.916613      2.357240      8.608474
  H      -1.133643      2.158494      8.524698
  H      -4.768497     -0.801058      8.090100
  H      -4.451033      0.755661      8.876116
  H      -2.677371     -0.842954      6.974211
  H      -2.262227     -0.207412      8.581256
  C       0.107669     -0.126191     -2.161754
  C      -1.384737     -0.314357     -2.066662
  O      -2.071584     -0.351676     -3.082469
  C      -2.055160     -0.441086     -0.719726
  C      -3.446684     -0.342975     -0.714564
  C      -4.204083     -0.437457      0.455511
  O      -5.540378     -0.323344      0.374403
  C      -3.534778     -0.646123      1.693643
  C      -4.327903     -0.784519      2.921772
  O      -5.573308     -0.809044      2.871075
  C      -3.664902     -0.911906      4.298493
  C      -2.130605     -0.767016      1.685569
  C      -1.386905     -0.661610      0.517148
  O      -0.023856     -0.790262      0.536654
  C      -9.586908      9.430979      4.704941
  C      -9.575059      7.990789      4.272239
  O     -10.614752      7.518991      3.702915
  C      -8.429419      7.156952      4.520368
  C      -7.228763      7.648239      5.101580
  C      -6.156968      6.826508      5.373658
  O      -5.000827      7.314190      5.934471
  C      -6.224075      5.417969      5.109074
  C      -5.210745      4.494491      5.466652
  O      -5.460793      3.207716      5.406113
  C      -3.822101      4.815582      5.948140
  C      -7.425603      4.928601      4.508785
  C      -8.490089      5.757451      4.216558
  O      -9.637107      5.241409      3.691520
  C     -11.948893      6.193918      6.599787
  C     -10.598803      6.497198      7.195258
  O     -10.346045      7.630122      7.604806
  C      -9.561076      5.413073      7.334275
  C      -8.454989      5.730281      8.130698
  C      -7.445258      4.806209      8.395702
  O      -6.396428      5.190206      9.149836
  C      -7.526659      3.495367      7.835670
  C      -6.387445      2.592782      7.967973
  O      -5.418662      2.898430      8.699879
  C      -6.312425      1.300627      7.142192
  C      -8.638336      3.187818      7.031056
  C      -9.627275      4.118483      6.746754
  O     -10.600304      3.727911      5.858239
  H       0.461466      0.660711     -1.481920
  H       0.361055      0.110077     -3.200981
  H       0.615318     -1.051311     -1.851648
  H      -3.955224     -0.196155     -1.668389
  H      -5.874832     -0.491197      1.311243
  H      -4.506843     -1.071262      4.996129
  H      -3.047103     -1.830189      4.307840
  H      -1.618905     -0.952677      2.629847
  H       0.259432     -0.915068      1.460760
  H      -9.569400      9.492236      5.804622
  H      -8.712867      9.978936      4.323285
  H     -10.501486      9.910356      4.338776
  H      -7.153990      8.709337      5.348585
  H      -5.123600      8.265694      6.103236
  H      -3.295755      5.434955      5.194096
  H      -3.850588      5.423601      6.869779
  H      -7.507361      3.864007      4.297069
  H     -10.229505      6.089926      3.545157
  H     -11.874905      6.242681      5.500187
  H     -12.303391      5.191738      6.867895
  H     -12.654615      6.968442      6.922156
  H      -8.392556      6.732581      8.554262
  H      -5.799186      4.376348      9.187064
  H      -6.883522      1.441581      6.219873
  H      -6.825299      0.504337      7.717698
  H      -8.716636      2.217452      6.543183
  H     -10.514133      4.292947      5.049890
  N      -4.154517      2.183913      3.523704
  H      -4.892909      2.799416      3.181423
  H      -3.740018      1.636090      2.772712
95
Coordinates from ORCA-job orca E -6661.173001538814
  N      -2.863960      0.226845      4.717286
  Mo     -3.849172      1.880466      5.470716
  N      -4.947064      0.903916      6.836037
  C      -4.307081      0.192552      7.943465
  C      -2.823247     -0.000110      7.662704
  N      -2.278990      1.209960      6.993706
  C      -1.073614      0.902436      6.198632
  C      -1.472067     -0.004956      5.030737
  C      -2.050717      2.328310      7.941014
  C      -2.018528      3.618311      7.142618
  N      -3.114083      3.554771      6.187213
  H      -0.783362      0.208427      4.187059
  H      -1.314932     -1.069432      5.292083
  H      -0.669120      1.852943      5.828953
  H      -0.299939      0.427570      6.827299
  H      -2.161565      4.470112      7.828708
  H      -1.046117      3.781470      6.640575
  H      -2.918014      2.356577      8.613187
  H      -1.135111      2.156495      8.533375
  H      -4.770511     -0.801561      8.097485
  H      -4.453073      0.756706      8.880144
  H      -2.677559     -0.846319      6.983699
  H      -2.264276     -0.209386      8.590598
  C       0.081341     -0.077745     -2.166098
  C      -1.404562     -0.310364     -2.067985
  O      -2.090618     -0.381479     -3.082447
  C      -2.070319     -0.438153     -0.718954
  C      -3.462616     -0.353938     -0.710185
  C      -4.215352     -0.449962      0.462948
  O      -5.552708     -0.347623      0.385701
  C      -3.540300     -0.648184      1.699723
  C      -4.328447     -0.790341      2.930572
  O      -5.573801     -0.823843      2.883738
  C      -3.660898     -0.915552      4.305410
  C      -2.135107     -0.755958      1.687587
  C      -1.396150     -0.647061      0.516586
  O      -0.031806     -0.763405      0.531454
  C      -9.578331      9.429390      4.695693
  C      -9.566091      7.989367      4.262307
  O     -10.604371      7.518064      3.690346
  C      -8.421443      7.154890      4.513982
  C      -7.221989      7.645758      5.097972
  C      -6.151061      6.823641      5.372518
  O      -4.996162      7.311055      5.935926
  C      -6.218141      5.415130      5.107859
  C      -5.205603      4.491510      5.467233
  O      -5.455504      3.204974      5.406337
  C      -3.817687      4.812328      5.951033
  C      -7.418516      4.926123      4.504942
  C      -8.481942      5.755449      4.210403
  O      -9.628309      5.239862      3.682916
  C     -11.945037      6.194125      6.587475
  C     -10.596186      6.496875      7.186074
  O     -10.343838      7.629665      7.596370
  C      -9.559203      5.412483      7.326941
  C      -8.454555      5.729193      8.125605
  C      -7.445550      4.804774      8.391955
  O      -6.397634      5.188283      9.147608
  C      -7.526285      3.494030      7.831609
  C      -6.387325      2.591540      7.965792
  O      -5.419871      2.897470      8.699537
  C      -6.311226      1.298927      7.141250
  C      -8.636674      3.186831      7.024950
  C      -9.624654      4.118005      6.738978
  O     -10.595997      3.728138      5.848331
  H       0.415332      0.714663     -1.482833
  H       0.325199      0.169815     -3.205000
  H       0.615201     -0.990483     -1.863047
  H      -3.975909     -0.216816     -1.662898
  H      -5.882539     -0.514462      1.324458
  H      -4.500973     -1.075181      5.005329
  H      -3.043782     -1.834346      4.312603
  H      -1.618055     -0.933666      2.630461
  H       0.256226     -0.878815      1.455309
  H      -9.559895      9.490777      5.795282
  H      -8.704852      9.977790      4.313318
  H     -10.493340      9.908461      4.330179
  H      -7.147404      8.706971      5.344540
  H      -5.119067      8.262658      6.104036
  H      -3.290424      5.432615      5.198381
  H      -3.847190      5.419748      6.873058
  H      -7.500396      3.861579      4.293058
  H     -10.219676      6.088729      3.534963
  H     -11.868888      6.240484      5.488018
  H     -12.301121      5.192700      6.856501
  H     -12.651015      6.969512      6.907217
  H      -8.392532      6.731326      8.549585
  H      -5.800455      4.374322      9.184989
  H      -6.880274      1.438654      6.217491
  H      -6.826206      0.503700      7.716509
  H      -8.714468      2.216464      6.537026
  H     -10.506550      4.292412      5.039630
  N      -4.150422      2.175996      3.526595
  H      -4.889009      2.790949      3.183736
  H      -3.734775      1.628682      2.775901
95
Coordinates from ORCA-job orca E -6661.173010766444
  N      -2.855919      0.218279      4.727148
  Mo     -3.843123      1.872678      5.477173
  N      -4.945347      0.898806      6.841251
  C      -4.309167      0.190809      7.953137
  C      -2.825183     -0.004648      7.676298
  N      -2.277662      1.203257      7.006144
  C      -1.070507      0.892252      6.215070
  C      -1.466761     -0.018350      5.049382
  C      -2.050479      2.323712      7.951059
  C      -2.013836      3.611514      7.149387
  N      -3.106948      3.548015      6.190966
  H      -0.772039      0.188689      4.208856
  H      -1.315269     -1.082337      5.315662
  H      -0.664753      1.841197      5.842664
  H      -0.298499      0.419291      6.847203
  H      -2.156913      4.465421      7.832802
  H      -1.039710      3.771420      6.649672
  H      -2.919564      2.355014      8.620844
  H      -1.136773      2.152357      8.546511
  H      -4.774650     -0.801880      8.109745
  H      -4.456563      0.758838      8.887237
  H      -2.679559     -0.852190      6.998902
  H      -2.268415     -0.213492      8.605593
  C       0.038508      0.000149     -2.171598
  C      -1.435872     -0.295380     -2.069104
  O      -2.119362     -0.409849     -3.081244
  C      -2.094304     -0.429517     -0.717435
  C      -3.487693     -0.369435     -0.702843
  C      -4.232941     -0.470942      0.474731
  O      -5.572030     -0.389689      0.403669
  C      -3.548801     -0.652370      1.709083
  C      -4.328866     -0.802728      2.944066
  O      -5.573922     -0.851697      2.903227
  C      -3.654595     -0.923445      4.316122
  C      -2.142086     -0.736880      1.690591
  C      -1.410776     -0.620746      0.515535
  O      -0.044638     -0.715600      0.522966
  C      -9.563938      9.425817      4.678711
  C      -9.552237      7.985073      4.247596
  O     -10.588468      7.514143      3.671903
  C      -8.408839      7.149994      4.503495
  C      -7.210579      7.640733      5.090097
  C      -6.140775      6.818226      5.368223
  O      -4.987302      7.305581      5.934518
  C      -6.208031      5.409560      5.104743
  C      -5.196889      4.485684      5.467365
  O      -5.447431      3.199548      5.407394
  C      -3.809726      4.805924      5.953785
  C      -7.406980      4.920725      4.498849
  C      -8.468993      5.750393      4.200844
  O      -9.614213      5.234789      3.670084
  C     -11.939081      6.195384      6.567939
  C     -10.591854      6.497522      7.170611
  O     -10.340362      7.630267      7.581661
  C      -9.556062      5.412563      7.315411
  C      -8.453417      5.729270      8.116811
  C      -7.445387      4.804676      8.386034
  O      -6.399302      5.188428      9.144026
  C      -7.525172      3.493476      7.826198
  C      -6.386842      2.590461      7.963695
  O      -5.420947      2.896536      8.699646
  C      -6.309964      1.296593      7.141787
  C      -8.633816      3.186260      7.017058
  C      -9.620827      4.117712      6.728044
  O     -10.589833      3.728148      5.835113
  H       0.343972      0.798746     -1.482385
  H       0.267389      0.265525     -3.209555
  H       0.610151     -0.893548     -1.880464
  H      -4.008280     -0.246211     -1.653491
  H      -5.894380     -0.554830      1.345298
  H      -4.492022     -1.083714      5.019232
  H      -3.037683     -1.842428      4.320754
  H      -1.616913     -0.900257      2.631528
  H       0.250748     -0.816501      1.446185
  H      -9.544556      9.489150      5.778173
  H      -8.690666      9.973333      4.294496
  H     -10.479070      9.904492      4.312980
  H      -7.136089      8.702208      5.335653
  H      -5.110318      8.257404      6.101333
  H      -3.280948      5.426401      5.202370
  H      -3.840622      5.413440      6.875713
  H      -7.488932      3.856109      4.287391
  H     -10.204188      6.084092      3.518717
  H     -11.859610      6.237447      5.468654
  H     -12.297928      5.195542      6.839412
  H     -12.645030      6.972633      6.883222
  H      -8.391971      6.731565      8.540450
  H      -5.802230      4.374336      9.182991
  H      -6.876498      1.434271      6.216183
  H      -6.827220      0.503157      7.717609
  H      -8.710929      2.215540      6.529705
  H     -10.497544      4.291523      5.026051
  N      -4.145451      2.161247      3.531804
  H      -4.884538      2.774971      3.187858
  H      -3.726247      1.615954      2.781694
95
Coordinates from ORCA-job orca E -6661.173019268052
  N      -2.846705      0.206787      4.740026
  Mo     -3.835614      1.862521      5.485570
  N      -4.943083      0.893157      6.848881
  C      -4.311178      0.188931      7.965755
  C      -2.827201     -0.010329      7.693165
  N      -2.275400      1.194727      7.021460
  C      -1.066420      0.879015      6.235102
  C      -1.460567     -0.035078      5.071937
  C      -2.049140      2.317796      7.963260
  C      -2.007191      3.602808      7.157342
  N      -3.097755      3.539142      6.195737
  H      -0.759400      0.164805      4.234800
  H      -1.315291     -1.098471      5.343608
  H      -0.658246      1.825857      5.859911
  H      -0.296924      0.407329      6.871247
  H      -2.150131      4.459434      7.837316
  H      -1.031256      3.758694      6.659974
  H      -2.920272      2.353032      8.630242
  H      -1.137599      2.146850      8.562165
  H      -4.779177     -0.802045      8.125338
  H      -4.459937      0.761571      8.896785
  H      -2.682135     -0.859550      7.017715
  H      -2.273005     -0.218804      8.624070
  C      -0.021111      0.109657     -2.175639
  C      -1.473836     -0.277830     -2.068615
  O      -2.147929     -0.454720     -3.077923
  C      -2.123906     -0.421842     -0.714523
  C      -3.518030     -0.393309     -0.693464
  C      -4.254274     -0.501539      0.489292
  O      -5.595093     -0.448262      0.425108
  C      -3.559630     -0.660109      1.720907
  C      -4.329697     -0.818398      2.961198
  O      -5.574052     -0.887236      2.927947
  C      -3.647186     -0.934175      4.329715
  C      -2.151455     -0.715413      1.695139
  C      -1.429470     -0.590679      0.515236
  O      -0.061781     -0.659403      0.513157
  C      -9.545542      9.421304      4.656632
  C      -9.533090      7.980302      4.226468
  O     -10.566776      7.509385      3.646279
  C      -8.392039      7.144183      4.489250
  C      -7.195642      7.634381      5.080218
  C      -6.127647      6.811067      5.363352
  O      -4.976061      7.297860      5.933990
  C      -6.195143      5.402304      5.101007
  C      -5.185980      4.477880      5.467951
  O      -5.437629      3.192159      5.409333
  C      -3.799861      4.797409      5.957725
  C      -7.392295      4.913937      4.491094
  C      -8.452130      5.744305      4.188138
  O      -9.596016      5.229024      3.653387
  C     -11.931089      6.197823      6.542607
  C     -10.585829      6.499145      7.150149
  O     -10.335038      7.631990      7.561458
  C      -9.551512      5.413368      7.299874
  C      -8.451278      5.730001      8.104580
  C      -7.444898      4.804877      8.377848
  O      -6.400680      5.188449      9.138479
  C      -7.524091      3.493070      7.819248
  C      -6.386831      2.589478      7.961925
  O      -5.422713      2.897376      8.699578
  C      -6.308354      1.293597      7.143736
  C      -8.630338      3.186035      7.006810
  C      -9.615864      4.117959      6.713517
  O     -10.582149      3.728927      5.818007
  H       0.242396      0.912467     -1.474431
  H       0.183636      0.404502     -3.210773
  H       0.605056     -0.754073     -1.906333
  H      -4.046998     -0.288203     -1.641662
  H      -5.908738     -0.610792      1.370054
  H      -4.481442     -1.095567      5.036519
  H      -3.030025     -1.853043      4.331093
  H      -1.617447     -0.859529      2.634169
  H       0.242492     -0.742494      1.435256
  H      -9.525870      9.485429      5.756008
  H      -8.672589      9.968689      4.271410
  H     -10.460879      9.899367      4.290654
  H      -7.121087      8.696083      5.324858
  H      -5.099044      8.249879      6.099725
  H      -3.269191      5.418537      5.208247
  H      -3.833200      5.404399      6.879947
  H      -7.474441      3.849211      4.280311
  H     -10.184040      6.079222      3.498223
  H     -11.847471      6.235799      5.443555
  H     -12.292861      5.199565      6.816209
  H     -12.636998      6.976999      6.853188
  H      -8.390182      6.732654      8.527386
  H      -5.804258      4.373991      9.179411
  H      -6.871787      1.428553      6.215844
  H      -6.827835      0.502268      7.720500
  H      -8.706786      2.214840      6.520246
  H     -10.484930      4.289425      5.007479
  N      -4.140048      2.142106      3.539064
  H      -4.878633      2.755803      3.194047
  H      -3.719091      1.597003      2.789888
95
Coordinates from ORCA-job orca E -6661.173026392310
  N      -2.845125      0.203552      4.742519
  Mo     -3.834396      1.859322      5.486633
  N      -4.943192      0.892726      6.850712
  C      -4.311891      0.189104      7.968396
  C      -2.828108     -0.011554      7.696329
  N      -2.274915      1.192603      7.024271
  C      -1.065538      0.875431      6.239264
  C      -1.459266     -0.038530      5.075863
  C      -2.048908      2.316532      7.964980
  C      -2.005247      3.600553      7.157448
  N      -3.094769      3.536392      6.194582
  H      -0.757286      0.160832      4.239245
  H      -1.314521     -1.101912      5.347750
  H      -0.655499      1.821669      5.864643
  H      -0.297528      0.402502      6.876313
  H      -2.148733      4.458115      7.836103
  H      -1.028691      3.755428      6.661027
  H      -2.920698      2.353262      8.631018
  H      -1.138014      2.145655      8.564891
  H      -4.780506     -0.801476      8.128604
  H      -4.460648      0.762830      8.898759
  H      -2.683726     -0.861145      7.021184
  H      -2.274464     -0.220323      8.627521
  C      -0.030552      0.126401     -2.173947
  C      -1.482271     -0.265548     -2.067688
  O      -2.156507     -0.440327     -3.077240
  C      -2.130477     -0.416198     -0.713627
  C      -3.524737     -0.398002     -0.691385
  C      -4.258987     -0.510876      0.492116
  O      -5.600265     -0.467531      0.428946
  C      -3.561959     -0.662967      1.723201
  C      -4.329460     -0.825013      2.964680
  O      -5.573454     -0.900929      2.933314
  C      -3.645125     -0.937932      4.332560
  C      -2.153352     -0.707993      1.696251
  C      -1.433507     -0.579481      0.515379
  O      -0.065490     -0.638551      0.511517
  C      -9.541533      9.420056      4.653741
  C      -9.528935      7.979015      4.223857
  O     -10.562565      7.508085      3.643327
  C      -8.388154      7.142771      4.486798
  C      -7.191656      7.632819      5.077781
  C      -6.123833      6.809330      5.361113
  O      -4.972124      7.295852      5.931875
  C      -6.191600      5.400570      5.099198
  C      -5.182987      4.475733      5.466880
  O      -5.435916      3.190189      5.410234
  C      -3.796288      4.794830      5.955182
  C      -7.388846      4.912313      4.489398
  C      -8.448399      5.742774      4.185882
  O      -9.592054      5.227485      3.650832
  C     -11.930422      6.198862      6.537698
  C     -10.585411      6.500108      7.145787
  O     -10.335051      7.632821      7.557674
  C      -9.551150      5.414211      7.296440
  C      -8.451134      5.731225      8.101227
  C      -7.445005      4.806170      8.375636
  O      -6.401250      5.190116      9.136681
  C      -7.524164      3.493979      7.817852
  C      -6.387069      2.590306      7.961581
  O      -5.423188      2.898659      8.699283
  C      -6.308514      1.293401      7.144779
  C      -8.630137      3.186712      7.005217
  C      -9.615650      4.118409      6.710932
  O     -10.581667      3.729124      5.815416
  H       0.229422      0.929165     -1.471382
  H       0.172968      0.424543     -3.208412
  H       0.599367     -0.735139     -1.906584
  H      -4.055409     -0.296412     -1.639030
  H      -5.911995     -0.629222      1.374595
  H      -4.478740     -1.100113      5.039985
  H      -3.026848     -1.856067      4.333746
  H      -1.617804     -0.845644      2.635364
  H       0.240780     -0.716369      1.433423
  H      -9.524789      9.483716      5.753226
  H      -8.667198      9.966856      4.270906
  H     -10.455630      9.898788      4.285573
  H      -7.116867      8.694454      5.322653
  H      -5.094902      8.247850      6.097868
  H      -3.265733      5.414410      5.204362
  H      -3.828948      5.403098      6.876557
  H      -7.471060      3.847532      4.278930
  H     -10.179831      6.077926      3.495288
  H     -11.846072      6.234624      5.438633
  H     -12.292944      5.201372      6.813183
  H     -12.635858      6.979126      6.846562
  H      -8.390081      6.734156      8.523399
  H      -5.805106      4.375571      9.178723
  H      -6.871588      1.427720      6.216580
  H      -6.827880      0.502611      7.722289
  H      -8.706461      2.215324      6.518975
  H     -10.483278      4.288096      5.004031
  N      -4.142567      2.135241      3.540578
  H      -4.881940      2.748286      3.196141
  H      -3.720380      1.591562      2.791082
95
Coordinates from ORCA-job orca E -6661.173036619027
  N      -2.852291      0.200383      4.739206
  Mo     -3.838665      1.857318      5.483142
  N      -4.945994      0.896434      6.851920
  C      -4.311855      0.192391      7.967932
  C      -2.829515     -0.011256      7.691415
  N      -2.275707      1.191779      7.017945
  C      -1.068047      0.872583      6.231342
  C      -1.464727     -0.039565      5.067148
  C      -2.046887      2.316158      7.957416
  C      -2.004396      3.599566      7.148523
  N      -3.095755      3.534395      6.187757
  H      -0.766646      0.162097      4.227917
  H      -1.317280     -1.103203      5.336756
  H      -0.655114      1.818186      5.858465
  H      -0.301373      0.395861      6.867236
  H      -2.146930      4.457820      7.826488
  H      -1.028839      3.753963      6.650045
  H      -2.917040      2.354190      8.625456
  H      -1.134477      2.144976      8.554907
  H      -4.781333     -0.797474      8.130074
  H      -4.456886      0.767364      8.898144
  H      -2.688774     -0.860992      7.015699
  H      -2.273815     -0.221187      8.621194
  C      -0.019030      0.145578     -2.159213
  C      -1.466425     -0.265585     -2.061140
  O      -2.132830     -0.447707     -3.074523
  C      -2.119865     -0.422739     -0.710637
  C      -3.514183     -0.402226     -0.693445
  C      -4.252274     -0.517308      0.487402
  O      -5.593456     -0.472421      0.420195
  C      -3.559358     -0.672311      1.720304
  C      -4.331016     -0.831409      2.959411
  O      -5.575114     -0.905172      2.924518
  C      -3.651128     -0.941896      4.329596
  C      -2.150625     -0.721820      1.698266
  C      -1.426938     -0.593425      0.519695
  O      -0.059532     -0.661782      0.518213
  C      -9.543251      9.420280      4.655870
  C      -9.532018      7.978727      4.228024
  O     -10.568046      7.507244      3.651616
  C      -8.390949      7.142453      4.488032
  C      -7.192510      7.632658      5.075016
  C      -6.124405      6.808990      5.356428
  O      -4.970646      7.295322      5.923559
  C      -6.193505      5.399962      5.096454
  C      -5.185084      4.474518      5.463566
  O      -5.440514      3.189059      5.410555
  C      -3.796881      4.792998      5.947562
  C      -7.392720      4.911527      4.490880
  C      -8.452747      5.741970      4.188870
  O      -9.597575      5.226303      3.657619
  C     -11.933541      6.202352      6.547588
  C     -10.586770      6.504864      7.151010
  O     -10.335936      7.638120      7.561047
  C      -9.551499      5.419309      7.300553
  C      -8.449468      5.737804      8.101836
  C      -7.442519      4.813409      8.375911
  O      -6.397848      5.198946      9.134822
  C      -7.522960      3.500168      7.820488
  C      -6.386340      2.595646      7.964007
  O      -5.420385      2.904353      8.698579
  C      -6.310512      1.296383      7.149870
  C      -8.630685      3.191890      7.010815
  C      -9.617455      4.122568      6.717416
  O     -10.586288      3.731867      5.825553
  H       0.229849      0.940936     -1.444511
  H       0.181534      0.462270     -3.188831
  H       0.621865     -0.711970     -1.905890
  H      -4.041589     -0.295684     -1.642385
  H      -5.908338     -0.633392      1.364890
  H      -4.487082     -1.102651      5.034544
  H      -3.031992     -1.859437      4.335024
  H      -1.619535     -0.863670      2.639340
  H       0.244910     -0.744839      1.440273
  H      -9.530014      9.483889      5.755552
  H      -8.666675      9.965179      4.275633
  H     -10.455464      9.900332      4.284820
  H      -7.116410      8.694274      5.319569
  H      -5.092494      8.247364      6.089985
  H      -3.267328      5.410770      5.194646
  H      -3.828006      5.402318      6.868295
  H      -7.475755      3.846413      4.282366
  H     -10.185631      6.076885      3.502676
  H     -11.851993      6.233491      5.448147
  H     -12.295742      5.206212      6.828440
  H     -12.637155      6.984687      6.855244
  H      -8.387706      6.741471      8.522222
  H      -5.801775      4.384417      9.177913
  H      -6.876326      1.429550      6.223162
  H      -6.826950      0.506352      7.730699
  H      -8.708120      2.219901      6.525847
  H     -10.489515      4.288153      5.012300
  N      -4.153211      2.130596      3.538708
  H      -4.892931      2.744228      3.196203
  H      -3.733131      1.586309      2.788482
95
Coordinates from ORCA-job orca E -6661.173042918164
  N      -2.848588      0.203124      4.741041
  Mo     -3.837648      1.857313      5.485142
  N      -4.945435      0.895722      6.852518
  C      -4.311797      0.190704      7.968174
  C      -2.829037     -0.011819      7.692934
  N      -2.275307      1.192233      7.021436
  C      -1.066241      0.874764      6.236517
  C      -1.460662     -0.034804      5.069371
  C      -2.048905      2.316288      7.961829
  C      -2.005046      3.599790      7.153118
  N      -3.094619      3.534572      6.190191
  H      -0.762532      0.170380      4.231060
  H      -1.311316     -1.098840      5.336205
  H      -0.651991      1.821117      5.867161
  H      -0.301061      0.395982      6.872684
  H      -2.149107      4.457889      7.830929
  H      -1.028632      3.754451      6.656470
  H      -2.920560      2.354070      8.627901
  H      -1.137762      2.145132      8.561281
  H      -4.780609     -0.799755      8.128702
  H      -4.458097      0.764392      8.898971
  H      -2.687055     -0.860806      7.016515
  H      -2.274337     -0.222401      8.623188
  C      -0.024639      0.136476     -2.166477
  C      -1.475410     -0.262198     -2.064937
  O      -2.146030     -0.436877     -3.076826
  C      -2.125727     -0.418772     -0.712783
  C      -3.520028     -0.404414     -0.693151
  C      -4.255536     -0.521113      0.489243
  O      -5.596976     -0.483684      0.424164
  C      -3.559624     -0.670496      1.721166
  C      -4.328289     -0.831130      2.961946
  O      -5.572136     -0.910592      2.929409
  C      -3.645415     -0.940354      4.331018
  C      -2.150586     -0.712645      1.696910
  C      -1.429757     -0.583276      0.516792
  O      -0.062037     -0.643377      0.513062
  C      -9.541078      9.421753      4.655523
  C      -9.528687      7.980502      4.226705
  O     -10.564269      7.509174      3.649209
  C      -8.387923      7.144157      4.487405
  C      -7.190043      7.633789      5.075944
  C      -6.122542      6.809721      5.358230
  O      -4.969044      7.295420      5.926485
  C      -6.191923      5.400722      5.098035
  C      -5.184218      4.474811      5.466296
  O      -5.440274      3.189380      5.414418
  C      -3.795942      4.793120      5.949971
  C      -7.390710      4.912828      4.491197
  C      -8.450144      5.743751      4.187803
  O      -9.594397      5.228922      3.655089
  C     -11.931287      6.202294      6.539895
  C     -10.585801      6.503377      7.146809
  O     -10.334800      7.636168      7.557912
  C      -9.551607      5.417015      7.297774
  C      -8.450610      5.734633      8.100839
  C      -7.444541      4.809642      8.376080
  O      -6.400441      5.194293      9.136292
  C      -7.524747      3.496814      7.820099
  C      -6.388401      2.592551      7.964727
  O      -5.423298      2.901565      8.700206
  C      -6.310605      1.293796      7.149451
  C      -8.631390      3.189237      7.008738
  C      -9.617190      4.120447      6.714280
  O     -10.584957      3.730269      5.820712
  H       0.229505      0.935932     -1.458150
  H       0.177662      0.444543     -3.198375
  H       0.610257     -0.723445     -1.906566
  H      -4.049469     -0.302028     -1.641411
  H      -5.909338     -0.643774      1.370015
  H      -4.479859     -1.104670      5.036900
  H      -3.024056     -1.856445      4.333573
  H      -1.617914     -0.849398      2.637725
  H       0.244660     -0.722895      1.434682
  H      -9.534066      9.484330      5.755346
  H      -8.661962      9.966390      4.280917
  H     -10.450896      9.902820      4.279942
  H      -7.113811      8.695254      5.321062
  H      -5.090645      8.247409      6.093356
  H      -3.266482      5.410806      5.196950
  H      -3.827126      5.402268      6.870812
  H      -7.473906      3.847739      4.282603
  H     -10.182662      6.079507      3.500804
  H     -11.846903      6.233189      5.440661
  H     -12.294974      5.206480      6.820009
  H     -12.634748      6.985551      6.845505
  H      -8.388940      6.738222      8.521466
  H      -5.804873      4.379520      9.179652
  H      -6.875592      1.427439      6.222305
  H      -6.826825      0.502755      7.728998
  H      -8.708397      2.217568      6.523073
  H     -10.486461      4.286964      5.007926
  N      -4.157535      2.128568      3.541719
  H      -4.898022      2.742003      3.200599
  H      -3.737104      1.585809      2.790583
95
Coordinates from ORCA-job orca E -6661.173188502702
  N      -2.850310      0.175234      4.755423
  Mo     -3.838776      1.834460      5.492538
  N      -4.944553      0.887926      6.867943
  C      -4.310403      0.187632      7.987251
  C      -2.831243     -0.023244      7.707650
  N      -2.275728      1.176185      7.029905
  C      -1.066968      0.852194      6.246263
  C      -1.462544     -0.061828      5.081490
  C      -2.044027      2.303240      7.965442
  C      -2.000451      3.582598      7.150311
  N      -3.090629      3.512996      6.188149
  H      -0.767622      0.142319      4.239821
  H      -1.310575     -1.125008      5.350869
  H      -0.650815      1.796832      5.874503
  H      -0.303921      0.374347      6.885796
  H      -2.141345      4.444891      7.823435
  H      -1.023634      3.730950      6.652335
  H      -2.911925      2.345800      8.636174
  H      -1.129529      2.133655      8.560273
  H      -4.784604     -0.798652      8.156083
  H      -4.449641      0.769834      8.913707
  H      -2.693925     -0.875272      7.033898
  H      -2.273758     -0.230797      8.637155
  C      -0.066315      0.271473     -2.130647
  C      -1.516563     -0.130552     -2.034725
  O      -2.192785     -0.269203     -3.048927
  C      -2.159868     -0.336187     -0.685805
  C      -3.555151     -0.338358     -0.662530
  C      -4.284438     -0.503927      0.518933
  O      -5.626529     -0.486379      0.460768
  C      -3.580563     -0.679544      1.745076
  C      -4.338326     -0.870175      2.987223
  O      -5.582303     -0.965177      2.963514
  C      -3.641354     -0.972840      4.348712
  C      -2.171797     -0.704201      1.713527
  C      -1.458489     -0.533375      0.534915
  O      -0.088696     -0.581776      0.523787
  C      -9.470364      9.441652      4.538206
  C      -9.466418      7.997187      4.120269
  O     -10.504778      7.528266      3.547419
  C      -8.339954      7.148929      4.408471
  C      -7.136694      7.634460      4.987536
  C      -6.083660      6.800875      5.294446
  O      -4.924074      7.282255      5.854716
  C      -6.173008      5.386950      5.065292
  C      -5.174994      4.457230      5.455096
  O      -5.440123      3.173776      5.417643
  C      -3.787099      4.772377      5.941169
  C      -7.376038      4.903435      4.466975
  C      -8.425464      5.741872      4.147954
  O      -9.582637      5.227822      3.642124
  C     -11.966762      6.159602      6.602118
  C     -10.604611      6.478347      7.160860
  O     -10.340811      7.623106      7.528868
  C      -9.569849      5.393805      7.321128
  C      -8.462455      5.722124      8.109773
  C      -7.445804      4.805985      8.376979
  O      -6.390440      5.204158      9.114963
  C      -7.527415      3.489026      7.831952
  C      -6.381405      2.593576      7.966245
  O      -5.417066      2.905127      8.702041
  C      -6.309512      1.283923      7.167113
  C      -8.646472      3.166744      7.043592
  C      -9.639122      4.091906      6.752354
  O     -10.615381      3.696963      5.867942
  H       0.188386      1.049751     -1.399159
  H       0.132048      0.612622     -3.152948
  H       0.572352     -0.594261     -1.900482
  H      -4.088496     -0.208111     -1.604952
  H      -5.929609     -0.680926      1.405750
  H      -4.468201     -1.148890      5.061677
  H      -3.011568     -1.882989      4.341144
  H      -1.630215     -0.867611      2.645010
  H       0.221339     -0.699873      1.439928
  H      -9.482518      9.509660      5.638205
  H      -8.579087      9.975274      4.176987
  H     -10.369009      9.928453      4.143444
  H      -7.043865      8.700139      5.208161
  H      -5.032483      8.239488      6.000277
  H      -3.251043      5.387653      5.191508
  H      -3.822396      5.382621      6.861183
  H      -7.476633      3.834264      4.287692
  H     -10.165949      6.080178      3.482186
  H     -11.914814      6.159030      5.501969
  H     -12.321524      5.170816      6.917145
  H     -12.661097      6.951548      6.906617
  H      -8.399295      6.730413      8.519596
  H      -5.786761      4.393756      9.147805
  H      -6.876978      1.403783      6.239452
  H      -6.819946      0.497858      7.758009
  H      -8.727149      2.190651      6.566985
  H     -10.503565      4.232425      5.041330
  N      -4.166665      2.089192      3.548330
  H      -4.906728      2.699657      3.203553
  H      -3.745909      1.541488      2.801793
95
Coordinates from ORCA-job orca E -6661.171202732004
  N      -2.836924      0.139591      4.806300
  Mo     -3.830051      1.798015      5.556585
  N      -4.906355      0.853965      6.946762
  C      -4.258124      0.169323      8.070028
  C      -2.786820     -0.043513      7.767936
  N      -2.245305      1.153220      7.073948
  C      -1.044147      0.828669      6.275444
  C      -1.448123     -0.096291      5.119728
  C      -1.998111      2.282220      8.003100
  C      -1.975414      3.558609      7.183587
  N      -3.079683      3.479497      6.238235
  H      -0.763828      0.107398      4.267819
  H      -1.287499     -1.157468      5.392918
  H      -0.642129      1.774788      5.891012
  H      -0.270235      0.363831      6.911537
  H      -2.104519      4.424337      7.854635
  H      -1.005263      3.702482      6.670755
  H      -2.849026      2.323102      8.695687
  H      -1.067835      2.119705      8.575137
  H      -4.733870     -0.812206      8.257203
  H      -4.381825      0.765903      8.989146
  H      -2.657006     -0.898808      7.096303
  H      -2.211803     -0.241636      8.689129
  C      -0.295847      0.574424     -2.109479
  C      -1.727493      0.120447     -1.987591
  O      -2.433987      0.013235     -2.986163
  C      -2.323254     -0.171079     -0.632464
  C      -3.719155     -0.218342     -0.573387
  C      -4.407039     -0.471420      0.619597
  O      -5.749788     -0.501670      0.603435
  C      -3.659536     -0.680758      1.819688
  C      -4.367059     -0.930292      3.078526
  O      -5.608519     -1.075478      3.094556
  C      -3.615691     -1.019445      4.409092
  C      -2.254447     -0.658496      1.743679
  C      -1.584197     -0.409821      0.555342
  O      -0.209937     -0.418104      0.505001
  C      -9.326574      9.495149      4.412713
  C      -9.384208      8.027392      4.087172
  O     -10.458373      7.558114      3.591948
  C      -8.283105      7.153952      4.412537
  C      -7.050258      7.628611      4.930793
  C      -6.023717      6.775272      5.271881
  O      -4.835195      7.246463      5.779047
  C      -6.165164      5.353537      5.121207
  C      -5.170976      4.420296      5.524228
  O      -5.440611      3.139856      5.502161
  C      -3.778883      4.736918      5.997659
  C      -7.396667      4.880811      4.583256
  C      -8.429978      5.736764      4.254944
  O      -9.625317      5.232085      3.828223
  C     -11.901765      6.060078      6.306762
  C     -10.551933      6.406848      6.878887
  O     -10.282338      7.572309      7.168891
  C      -9.539359      5.324199      7.148685
  C      -8.463265      5.683430      7.963864
  C      -7.450779      4.782796      8.294528
  O      -6.410184      5.214728      9.035917
  C      -7.519879      3.445581      7.801857
  C      -6.365619      2.565754      7.987764
  O      -5.414938      2.915348      8.725860
  C      -6.277709      1.226806      7.243584
  C      -8.622243      3.084139      7.006627
  C      -9.599331      3.999878      6.639992
  O     -10.549050      3.584213      5.731924
  H      -0.041423      1.321212     -1.345300
  H      -0.138454      0.973989     -3.117695
  H       0.378781     -0.279961     -1.945008
  H      -4.282486     -0.050917     -1.491609
  H      -6.009030     -0.759581      1.551908
  H      -4.411891     -1.228382      5.150227
  H      -2.966201     -1.914149      4.363941
  H      -1.667267     -0.857187      2.640157
  H       0.124827     -0.594287      1.402439
  H      -9.297863      9.630748      5.506311
  H      -8.432329      9.976795      3.990958
  H     -10.224031      9.983553      4.016788
  H      -6.911401      8.701791      5.082507
  H      -4.908753      8.214070      5.870272
  H      -3.244321      5.359407      5.254424
  H      -3.813502      5.341987      6.921457
  H      -7.541309      3.806793      4.472684
  H     -10.179151      6.092859      3.622378
  H     -11.823034      5.988699      5.214032
  H     -12.273799      5.091929      6.664385
  H     -12.597280      6.873706      6.545690
  H      -8.408905      6.709873      8.329113
  H      -5.804761      4.405051      9.105728
  H      -6.844803      1.295083      6.310009
  H      -6.769184      0.450727      7.862781
  H      -8.693972      2.088486      6.569559
  H     -10.356590      4.048461      4.875577
  N      -4.188549      2.035060      3.612891
  H      -4.934437      2.636742      3.270499
  H      -3.771505      1.483789      2.868897
95
Coordinates from ORCA-job orca E -6661.172678864209
  N      -2.836722      0.141831      4.789502
  Mo     -3.860426      1.783742      5.535126
  N      -4.949301      0.829743      6.907152
  C      -4.307460      0.134541      8.028189
  C      -2.831411     -0.064622      7.741556
  N      -2.291061      1.146073      7.070429
  C      -1.073372      0.842399      6.289729
  C      -1.448829     -0.077485      5.121226
  C      -2.072461      2.269765      8.013372
  C      -2.053965      3.554653      7.205331
  N      -3.141048      3.469161      6.240741
  H      -0.755636      0.140807      4.280409
  H      -1.277705     -1.138142      5.389444
  H      -0.674136      1.795800      5.921231
  H      -0.306418      0.378511      6.934825
  H      -2.206995      4.412522      7.881253
  H      -1.077679      3.716767      6.710021
  H      -2.933946      2.293558      8.693247
  H      -1.148589      2.113593      8.597349
  H      -4.780380     -0.850983      8.200750
  H      -4.443544      0.722332      8.951534
  H      -2.686369     -0.909928      7.060581
  H      -2.266883     -0.269972      8.667686
  C      -0.210370      0.567956     -2.113419
  C      -1.644500      0.116287     -2.007432
  O      -2.340807      0.012911     -3.013335
  C      -2.250492     -0.182473     -0.659033
  C      -3.646463     -0.239460     -0.611810
  C      -4.341307     -0.495616      0.575674
  O      -5.684068     -0.534448      0.552064
  C      -3.602990     -0.694467      1.781611
  C      -4.324336     -0.943619      3.032035
  O      -5.561428     -1.120928      3.026916
  C      -3.592151     -1.026076      4.373799
  C      -2.197102     -0.663722      1.719211
  C      -1.518976     -0.415503      0.534613
  O      -0.144970     -0.418526      0.492792
  C      -9.472975      9.367865      4.266381
  C      -9.481824      7.899549      3.939718
  O     -10.530790      7.400727      3.419034
  C      -8.362407      7.058270      4.282647
  C      -7.168712      7.558429      4.865713
  C      -6.134990      6.728390      5.241713
  O      -4.988536      7.223025      5.819627
  C      -6.230174      5.305796      5.064626
  C      -5.231698      4.388664      5.493198
  O      -5.487833      3.104997      5.466452
  C      -3.853925      4.720381      5.998462
  C      -7.420369      4.809253      4.459377
  C      -8.456311      5.642530      4.084940
  O      -9.598107      5.118909      3.551735
  C     -11.778347      6.309007      6.561322
  C     -10.412631      6.576220      7.138271
  O     -10.097748      7.715083      7.481680
  C      -9.434196      5.446370      7.337265
  C      -8.337595      5.725885      8.155364
  C      -7.354333      4.774473      8.427454
  O      -6.300353      5.127852      9.190648
  C      -7.474016      3.468170      7.865158
  C      -6.353888      2.537471      8.008655
  O      -5.377188      2.834816      8.734737
  C      -6.312510      1.221403      7.219807
  C      -8.591452      3.189643      7.058477
  C      -9.542624      4.154929      6.756321
  O     -10.519220      3.822824      5.842811
  H       0.034283      1.313307     -1.344816
  H      -0.043302      0.972372     -3.118199
  H       0.464266     -0.285311     -1.945910
  H      -4.203539     -0.075329     -1.534515
  H      -5.948054     -0.778322      1.501942
  H      -4.396259     -1.252129      5.101091
  H      -2.927687     -1.910118      4.334050
  H      -1.617426     -0.855470      2.622266
  H       0.185399     -0.593309      1.392354
  H      -9.479858      9.498502      5.360679
  H      -8.580531      9.875472      3.872321
  H     -10.371999      9.832635      3.846462
  H      -7.069852      8.631363      5.047156
  H      -5.094776      8.186065      5.924288
  H      -3.312651      5.356388      5.271944
  H      -3.916947      5.315859      6.927326
  H      -7.523518      3.734782      4.313679
  H     -10.140332      5.972626      3.288506
  H     -11.710262      6.290898      5.464891
  H     -12.182144      5.337563      6.871937
  H     -12.441102      7.134054      6.848696
  H      -8.245768      6.727993      8.576328
  H      -5.730699      4.290437      9.227263
  H      -6.884956      1.332162      6.293322
  H      -6.814784      0.439306      7.821607
  H      -8.701862      2.221947      6.569631
  H     -10.331261      4.341195      5.019205
  N      -4.200638      2.028360      3.590718
  H      -4.949515      2.624779      3.243732
  H      -3.765060      1.489618      2.847763
95
Coordinates from ORCA-job orca E -6661.171960215102
  N      -2.814427      0.147635      4.797022
  Mo     -3.795017      1.819829      5.523483
  N      -4.928985      0.894109      6.885836
  C      -4.316849      0.192369      8.018039
  C      -2.837960     -0.043848      7.753337
  N      -2.257432      1.146490      7.078260
  C      -1.042569      0.802792      6.312186
  C      -1.436028     -0.112602      5.150380
  C      -2.016919      2.272400      8.013139
  C      -1.953144      3.550204      7.195653
  N      -3.034303      3.491340      6.223088
  H      -0.723084      0.072877      4.319655
  H      -1.305616     -1.175052      5.431174
  H      -0.611242      1.739433      5.937895
  H      -0.294049      0.321546      6.965661
  H      -2.090108      4.416119      7.864447
  H      -0.969800      3.685453      6.706873
  H      -2.885666      2.325682      8.681116
  H      -1.106091      2.093396      8.610699
  H      -4.811176     -0.783074      8.190007
  H      -4.455386      0.786182      8.937233
  H      -2.707499     -0.898238      7.081483
  H      -2.291591     -0.258703      8.687545
  C      -0.202762      0.413785     -2.168846
  C      -1.648552      0.006955     -2.042310
  O      -2.354556     -0.102745     -3.039396
  C      -2.251334     -0.241048     -0.681742
  C      -3.645273     -0.251738     -0.618157
  C      -4.337807     -0.458178      0.577535
  O      -5.681051     -0.452616      0.564047
  C      -3.599805     -0.658928      1.777148
  C      -4.331560     -0.871132      3.030232
  O      -5.572253     -0.996654      3.018762
  C      -3.614953     -0.990280      4.380213
  C      -2.192703     -0.675247      1.706992
  C      -1.514517     -0.469891      0.512152
  O      -0.145446     -0.510752      0.460341
  C      -9.415033      9.399228      4.431274
  C      -9.406506      7.941483      4.060216
  O     -10.436133      7.453999      3.487992
  C      -8.267401      7.113079      4.357811
  C      -7.064750      7.622381      4.920494
  C      -6.003561      6.804585      5.245484
  O      -4.855678      7.305512      5.812538
  C      -6.079289      5.386822      5.036818
  C      -5.090981      4.460104      5.450643
  O      -5.377672      3.181487      5.430856
  C      -3.711683      4.761682      5.968239
  C      -7.273895      4.883529      4.442916
  C      -8.335919      5.701755      4.122215
  O      -9.492466      5.155836      3.649441
  C     -12.037377      6.129601      6.601797
  C     -10.663144      6.460307      7.122972
  O     -10.386244      7.615766      7.440794
  C      -9.622737      5.380990      7.290106
  C      -8.513911      5.724985      8.068693
  C      -7.484669      4.821011      8.330967
  O      -6.437909      5.232145      9.072915
  C      -7.551894      3.501992      7.786132
  C      -6.399245      2.614755      7.936682
  O      -5.438738      2.949784      8.667003
  C      -6.304352      1.293811      7.160147
  C      -8.671732      3.165210      7.003345
  C      -9.683071      4.075846      6.725592
  O     -10.682735      3.664178      5.873979
  H       0.072648      1.171321     -1.423079
  H      -0.033069      0.783325     -3.186255
  H       0.442905     -0.456530     -1.980767
  H      -4.206395     -0.096188     -1.540378
  H      -5.951096     -0.672795      1.512017
  H      -4.431530     -1.179247      5.101733
  H      -2.990247     -1.903552      4.346304
  H      -1.619799     -0.862455      2.615333
  H       0.189515     -0.668614      1.362065
  H      -9.427980      9.500132      5.527513
  H      -8.525653      9.925931      4.055571
  H     -10.315489      9.869607      4.021256
  H      -6.982842      8.692467      5.122820
  H      -4.976851      8.262843      5.944683
  H      -3.151594      5.379927      5.239480
  H      -3.763807      5.363616      6.894062
  H      -7.364587      3.810613      4.283683
  H     -10.109250      5.988173      3.516676
  H     -12.011765      6.108502      5.498937
  H     -12.382570      5.145244      6.938540
  H     -12.726087      6.924919      6.910104
  H      -8.459458      6.734063      8.477361
  H      -5.825697      4.427450      9.111666
  H      -6.864962      1.387371      6.225220
  H      -6.811961      0.514622      7.761539
  H      -8.749134      2.184087      6.536991
  H     -10.605568      4.193257      5.037230
  N      -4.112386      2.066973      3.575754
  H      -4.844141      2.684905      3.221740
  H      -3.684801      1.515906      2.834635
95
Coordinates from ORCA-job orca E -6661.173736320573
  N      -2.818842      0.133552      4.807178
  Mo     -3.811343      1.798441      5.539774
  N      -4.920124      0.868606      6.914865
  C      -4.293905      0.179451      8.047453
  C      -2.817672     -0.046732      7.769558
  N      -2.254224      1.144971      7.082860
  C      -1.042765      0.807891      6.306791
  C      -1.437580     -0.117132      5.151496
  C      -2.013184      2.276062      8.011401
  C      -1.967016      3.550052      7.187770
  N      -3.056335      3.477983      6.224997
  H      -0.732833      0.069894      4.313408
  H      -1.296754     -1.177482      5.435866
  H      -0.624815      1.747520      5.924261
  H      -0.283933      0.338143      6.956864
  H      -2.102541      4.418568      7.853608
  H      -0.988311      3.687577      6.690088
  H      -2.874937      2.325622      8.689130
  H      -1.094320      2.107562      8.599756
  H      -4.781036     -0.797261      8.230556
  H      -4.427258      0.779477      8.963484
  H      -2.686020     -0.903426      7.100600
  H      -2.259629     -0.251179      8.699378
  C      -0.276534      0.538566     -2.139436
  C      -1.707642      0.084620     -2.011024
  O      -2.411396     -0.045793     -3.007877
  C      -2.301665     -0.189169     -0.651049
  C      -3.695035     -0.258569     -0.592079
  C      -4.381901     -0.500078      0.601859
  O      -5.723340     -0.556384      0.580687
  C      -3.636551     -0.673076      1.805921
  C      -4.349500     -0.913797      3.064894
  O      -5.587529     -1.074449      3.073040
  C      -3.607302     -1.015645      4.400828
  C      -2.230826     -0.626302      1.736391
  C      -1.560419     -0.388869      0.544207
  O      -0.188698     -0.367662      0.497929
  C      -9.359049      9.441859      4.400848
  C      -9.390610      7.976602      4.060037
  O     -10.453218      7.494501      3.550057
  C      -8.263203      7.128231      4.352493
  C      -7.048240      7.618060      4.902510
  C      -6.005352      6.781002      5.235898
  O      -4.841884      7.263714      5.787799
  C      -6.112556      5.361845      5.049059
  C      -5.125681      4.431288      5.467004
  O      -5.408118      3.151805      5.460596
  C      -3.744088      4.741748      5.972865
  C      -7.319809      4.876404      4.466120
  C      -8.363602      5.716192      4.133385
  O      -9.525116      5.197222      3.640713
  C     -11.966843      6.111857      6.487844
  C     -10.601832      6.443227      7.032399
  O     -10.324980      7.600943      7.342242
  C      -9.575946      5.358152      7.242261
  C      -8.484417      5.701029      8.044646
  C      -7.464884      4.793759      8.334216
  O      -6.425130      5.205634      9.086091
  C      -7.531001      3.472276      7.797922
  C      -6.382496      2.583260      7.964838
  O      -5.427416      2.916429      8.704055
  C      -6.293881      1.258475      7.197142
  C      -8.637598      3.133629      6.998659
  C      -9.634418      4.048957      6.690770
  O     -10.615008      3.642231      5.813714
  H      -0.028352      1.310733     -1.398828
  H      -0.116302      0.905985     -3.159188
  H       0.398420     -0.307845     -1.942846
  H      -4.258844     -0.124479     -1.515766
  H      -5.985270     -0.801745      1.528461
  H      -4.407548     -1.224145      5.136533
  H      -2.967458     -1.917482      4.350134
  H      -1.646871     -0.788188      2.642855
  H       0.148163     -0.519331      1.399647
  H      -9.332078      9.565508      5.495130
  H      -8.473793      9.944360      3.984637
  H     -10.264872      9.919683      4.011514
  H      -6.941040      8.688817      5.090345
  H      -4.940176      8.225784      5.905528
  H      -3.191125      5.363696      5.242480
  H      -3.795346      5.344196      6.898635
  H      -7.432127      3.804445      4.312976
  H     -10.097947      6.047490      3.450971
  H     -11.919682      6.078666      5.388078
  H     -12.324243      5.131312      6.824253
  H     -12.657831      6.913544      6.774342
  H      -8.430092      6.714446      8.443260
  H      -5.816636      4.397358      9.132942
  H      -6.856600      1.343196      6.262197
  H      -6.796023      0.479727      7.803816
  H      -8.710219      2.150567      6.534734
  H     -10.489494      4.152356      4.973088
  N      -4.158783      2.027959      3.593932
  H      -4.898734      2.635900      3.243916
  H      -3.728890      1.481210      2.852288
95
Coordinates from ORCA-job orca E -6661.173097324692
  N      -2.812646      0.144183      4.815423
  Mo     -3.843499      1.778715      5.571623
  N      -4.924544      0.817704      6.940481
  C      -4.281341      0.130930      8.065611
  C      -2.805223     -0.065979      7.777521
  N      -2.268185      1.144823      7.102937
  C      -1.051071      0.841774      6.320377
  C      -1.427263     -0.081614      5.156487
  C      -2.047736      2.269645      8.044068
  C      -2.032294      3.553110      7.234039
  N      -3.121907      3.465785      6.272598
  H      -0.728253      0.126264      4.317593
  H      -1.263312     -1.141227      5.431859
  H      -0.655227      1.794784      5.947046
  H      -0.281730      0.382405      6.965730
  H      -2.184851      4.412049      7.908679
  H      -1.057276      3.715574      6.736409
  H      -2.906632      2.293149      8.727400
  H      -1.121695      2.115234      8.625031
  H      -4.752648     -0.854082      8.243892
  H      -4.419013      0.724372      8.985580
  H      -2.660771     -0.911720      7.097045
  H      -2.238122     -0.270103      8.702209
  C      -0.371248      0.667200     -2.159194
  C      -1.781916      0.156353     -2.018310
  O      -2.492972      0.011258     -3.008611
  C      -2.350848     -0.147039     -0.654185
  C      -3.741333     -0.270024     -0.583263
  C      -4.406355     -0.536808      0.618225
  O      -5.746187     -0.633546      0.614832
  C      -3.641849     -0.682361      1.815677
  C      -4.329818     -0.953820      3.081178
  O      -5.557863     -1.183249      3.101748
  C      -3.566580     -1.026478      4.405451
  C      -2.240420     -0.580741      1.732273
  C      -1.591939     -0.319886      0.533083
  O      -0.220720     -0.252524      0.473337
  C      -9.357551      9.423486      4.220694
  C      -9.398641      7.951186      3.911609
  O     -10.429569      7.481504      3.332038
  C      -8.307524      7.087709      4.289638
  C      -7.111124      7.571534      4.881110
  C      -6.091144      6.728630      5.264760
  O      -4.937894      7.208671      5.841882
  C      -6.203707      5.307645      5.092008
  C      -5.212513      4.384766      5.526472
  O      -5.474308      3.101127      5.516196
  C      -3.836856      4.716561      6.036060
  C      -7.401191      4.824253      4.487747
  C      -8.424450      5.671140      4.105485
  O      -9.576222      5.160191      3.581472
  C     -11.781701      6.221062      6.417366
  C     -10.428172      6.505783      7.013488
  O     -10.129493      7.650474      7.349121
  C      -9.445228      5.386254      7.250435
  C      -8.379444      5.680737      8.103149
  C      -7.396393      4.739517      8.411957
  O      -6.374482      5.106316      9.210340
  C      -7.481855      3.431620      7.846494
  C      -6.359341      2.510883      8.022406
  O      -5.403976      2.811938      8.775512
  C      -6.294269      1.194610      7.240544
  C      -8.566691      3.140285      7.001647
  C      -9.520291      4.091929      6.670792
  O     -10.465731      3.744159      5.731486
  H      -0.148096      1.443231     -1.414787
  H      -0.236619      1.050586     -3.176939
  H       0.342518     -0.150609     -1.978019
  H      -4.318830     -0.150469     -1.500353
  H      -5.988077     -0.861466      1.574080
  H      -4.349096     -1.273458      5.149859
  H      -2.894075     -1.902967      4.337132
  H      -1.637794     -0.718317      2.630833
  H       0.129005     -0.398173      1.370928
  H      -9.406839      9.571426      5.311793
  H      -8.433161      9.896917      3.859290
  H     -10.222339      9.910225      3.756234
  H      -6.993255      8.644777      5.049187
  H      -5.029496      8.173732      5.941214
  H      -3.293663      5.359596      5.317578
  H      -3.904844      5.305117      6.969691
  H      -7.520031      3.750905      4.347209
  H     -10.127028      6.018892      3.362856
  H     -11.695843      6.201256      5.321593
  H     -12.179683      5.245899      6.723911
  H     -12.458158      7.039276      6.691755
  H      -8.310614      6.684890      8.523166
  H      -5.794646      4.276216      9.264503
  H      -6.859992      1.291592      6.308295
  H      -6.791565      0.408461      7.841407
  H      -8.646651      2.172019      6.507961
  H     -10.255006      4.255560      4.912606
  N      -4.213995      2.014097      3.631107
  H      -4.969890      2.605515      3.291073
  H      -3.767076      1.492801      2.882732
95
Coordinates from ORCA-job orca E -6661.174174209680
  N      -2.788128      0.127683      4.833872
  Mo     -3.800027      1.780864      5.569361
  N      -4.913429      0.845074      6.932108
  C      -4.294074      0.159129      8.070858
  C      -2.816648     -0.063518      7.802533
  N      -2.251751      1.131937      7.123607
  C      -1.031742      0.801239      6.358000
  C      -1.411787     -0.123486      5.197815
  C      -2.022367      2.261988      8.056155
  C      -1.972780      3.536870      7.233935
  N      -3.053073      3.462222      6.260745
  H      -0.695546      0.062702      4.368683
  H      -1.273946     -1.183619      5.483974
  H      -0.614304      1.743480      5.981263
  H      -0.277527      0.333370      7.014840
  H      -2.116912      4.404735      7.898759
  H      -0.989663      3.676959      6.745821
  H      -2.889395      2.308063      8.727647
  H      -1.107225      2.095963      8.651045
  H      -4.781363     -0.817747      8.251637
  H      -4.434932      0.761393      8.984262
  H      -2.678662     -0.917497      7.131186
  H      -2.264130     -0.269782      8.735353
  C      -0.416264      0.676420     -2.173450
  C      -1.825580      0.165331     -2.020293
  O      -2.542473      0.010626     -3.004436
  C      -2.382675     -0.133899     -0.650313
  C      -3.770647     -0.267171     -0.567177
  C      -4.424159     -0.533811      0.640236
  O      -5.762480     -0.646256      0.646871
  C      -3.650253     -0.669068      1.830936
  C      -4.331249     -0.941008      3.100475
  O      -5.560712     -1.157986      3.125729
  C      -3.564573     -1.028319      4.423391
  C      -2.249897     -0.556591      1.737227
  C      -1.612586     -0.294206      0.532122
  O      -0.243783     -0.210924      0.461223
  C      -9.318081      9.426416      4.295606
  C      -9.351155      7.956083      3.976585
  O     -10.407595      7.470170      3.458610
  C      -8.234471      7.105983      4.303027
  C      -7.025257      7.597772      4.862859
  C      -5.991805      6.760630      5.223582
  O      -4.833422      7.246549      5.784108
  C      -6.102531      5.339150      5.053968
  C      -5.121058      4.410705      5.491899
  O      -5.403800      3.131778      5.491010
  C      -3.744723      4.724233      6.010190
  C      -7.305368      4.851107      4.465389
  C      -8.342006      5.690767      4.109738
  O      -9.503183      5.169437      3.617274
  C     -11.918444      6.134667      6.430988
  C     -10.559365      6.452308      6.997638
  O     -10.277473      7.606060      7.316372
  C      -9.545974      5.357086      7.218318
  C      -8.470110      5.681227      8.048210
  C      -7.461594      4.763476      8.344463
  O      -6.433739      5.157090      9.122191
  C      -7.526004      3.450349      7.788962
  C      -6.384373      2.554247      7.968411
  O      -5.441510      2.878377      8.727509
  C      -6.290801      1.228889      7.202675
  C      -8.618150      3.130098      6.962685
  C      -9.601007      4.057521      6.645837
  O     -10.561370      3.678014      5.734179
  H      -0.189762      1.460434     -1.438404
  H      -0.287776      1.048750     -3.195988
  H       0.297881     -0.139619     -1.986892
  H      -4.356500     -0.159249     -1.480485
  H      -5.995240     -0.880993      1.605265
  H      -4.349362     -1.262374      5.168883
  H      -2.910134     -1.918253      4.350668
  H      -1.642151     -0.683237      2.633410
  H       0.115096     -0.345344      1.357116
  H      -9.310055      9.566663      5.388444
  H      -8.422701      9.917909      3.888222
  H     -10.214403      9.902361      3.882674
  H      -6.914018      8.670748      5.035574
  H      -4.929431      8.210663      5.886903
  H      -3.186724      5.354357      5.291365
  H      -3.809157      5.319077      6.940109
  H      -7.421871      3.777241      4.328094
  H     -10.071799      6.020251      3.413840
  H     -11.855902      6.111213      5.332512
  H     -12.286886      5.152810      6.751784
  H     -12.607841      6.938369      6.715648
  H      -8.416477      6.688842      8.461666
  H      -5.831196      4.343710      9.166193
  H      -6.843998      1.309692      6.261835
  H      -6.794615      0.448617      7.805881
  H      -8.686750      2.155530      6.480605
  H     -10.399214      4.197454      4.905063
  N      -4.160053      2.001930      3.625134
  H      -4.904897      2.603841      3.276704
  H      -3.712844      1.472870      2.881567
95
Coordinates from ORCA-job orca E -6661.174220214887
  N      -2.780754      0.121892      4.853613
  Mo     -3.795226      1.769863      5.598773
  N      -4.901573      0.827268      6.962199
  C      -4.278976      0.143147      8.100043
  C      -2.801552     -0.076460      7.828214
  N      -2.241407      1.120509      7.147855
  C      -1.023308      0.791862      6.378304
  C      -1.406204     -0.135404      5.222393
  C      -2.010702      2.250574      8.080070
  C      -1.962433      3.525317      7.257721
  N      -3.045044      3.451634      6.286881
  H      -0.686515      0.042973      4.394476
  H      -1.274462     -1.194827      5.513151
  H      -0.610563      1.734305      5.996928
  H      -0.264607      0.328185      7.032829
  H      -2.104448      4.393368      7.922675
  H      -0.980406      3.664965      6.767420
  H      -2.876608      2.296159      8.753071
  H      -1.094776      2.084705      8.673788
  H      -4.764336     -0.834378      8.282256
  H      -4.419371      0.745264      9.013570
  H      -2.663911     -0.929971      7.156237
  H      -2.245957     -0.282317      8.759158
  C      -0.533807      0.789774     -2.188527
  C      -1.923027      0.232732     -2.016402
  O      -2.644741      0.047593     -2.991687
  C      -2.456281     -0.076738     -0.638695
  C      -3.837136     -0.262912     -0.542904
  C      -4.470995     -0.547123      0.670620
  O      -5.803472     -0.713158      0.687312
  C      -3.683604     -0.647858      1.855402
  C      -4.344223     -0.940143      3.131456
  O      -5.568794     -1.179909      3.170017
  C      -3.559626     -1.032506      4.443313
  C      -2.289469     -0.481112      1.750456
  C      -1.671776     -0.198718      0.539299
  O      -0.308565     -0.057184      0.460141
  C      -9.260786      9.431378      4.210419
  C      -9.304718      7.955813      3.917330
  O     -10.351936      7.474140      3.377018
  C      -8.198265      7.102080      4.268849
  C      -6.994290      7.592344      4.841489
  C      -5.969661      6.753272      5.222545
  O      -4.815791      7.239060      5.791953
  C      -6.085632      5.330867      5.064584
  C      -5.110915      4.402121      5.516157
  O      -5.397536      3.124056      5.526464
  C      -3.735843      4.714626      6.038144
  C      -7.282712      4.844010      4.462428
  C      -8.309034      5.686202      4.083830
  O      -9.463994      5.167786      3.572351
  C     -11.882717      6.110548      6.345941
  C     -10.531062      6.426761      6.930952
  O     -10.244415      7.583559      7.233470
  C      -9.529258      5.328298      7.184814
  C      -8.468868      5.655529      8.033389
  C      -7.470208      4.736165      8.357147
  O      -6.459415      5.132663      9.155167
  C      -7.527031      3.418874      7.808518
  C      -6.387163      2.523643      8.000981
  O      -5.441715      2.856361      8.753546
  C      -6.282423      1.202383      7.231374
  C      -8.606441      3.094840      6.967165
  C      -9.579478      4.023016      6.624506
  O     -10.518431      3.640599      5.693320
  H      -0.329982      1.595297     -1.470201
  H      -0.424021      1.145698     -3.218951
  H       0.208684      0.002660     -1.989170
  H      -4.433446     -0.185627     -1.452580
  H      -6.019626     -0.958237      1.646547
  H      -4.332204     -1.278531      5.197748
  H      -2.903852     -1.919779      4.350383
  H      -1.670761     -0.573877      2.643623
  H       0.060364     -0.172437      1.354704
  H      -9.265109      9.593451      5.299935
  H      -8.355074      9.905796      3.805386
  H     -10.146379      9.908845      3.776629
  H      -6.879376      8.666479      5.004047
  H      -4.907905      8.204668      5.882939
  H      -3.176142      5.346115      5.321961
  H      -3.801396      5.308051      6.969206
  H      -7.401626      3.770074      4.328784
  H     -10.027001      6.020986      3.358240
  H     -11.802811      6.078321      5.248265
  H     -12.260956      5.133222      6.668672
  H     -12.573015      6.919533      6.613015
  H      -8.419009      6.666268      8.439405
  H      -5.862299      4.316385      9.223111
  H      -6.836103      1.279230      6.290529
  H      -6.781152      0.417682      7.833132
  H      -8.667472      2.117702      6.489448
  H     -10.328020      4.150562      4.862233
  N      -4.173443      1.987220      3.656920
  H      -4.920583      2.589658      3.313290
  H      -3.721777      1.467829      2.909143
95
Coordinates from ORCA-job orca E -6661.174372211306
  N      -2.774085      0.130580      4.855049
  Mo     -3.793814      1.771379      5.609931
  N      -4.898485      0.825195      6.969536
  C      -4.276413      0.140085      8.107095
  C      -2.799244     -0.079190      7.834611
  N      -2.239235      1.119773      7.157385
  C      -1.020192      0.793722      6.388269
  C      -1.401529     -0.130869      5.230329
  C      -2.009573      2.247976      8.092198
  C      -1.959891      3.524225      7.271947
  N      -3.041010      3.452085      6.299103
  H      -0.677952      0.044856      4.405127
  H      -1.273850     -1.190714      5.520989
  H      -0.607195      1.737235      6.009906
  H      -0.262280      0.328408      7.042548
  H      -2.103205      4.391279      7.937878
  H      -0.977053      3.664611      6.783582
  H      -2.876073      2.292516      8.764517
  H      -1.094215      2.080736      8.686411
  H      -4.762107     -0.837424      8.288061
  H      -4.417199      0.741856      9.020810
  H      -2.661995     -0.930799      7.160129
  H      -2.243517     -0.287875      8.764861
  C      -0.558848      0.795210     -2.206890
  C      -1.946489      0.236941     -2.025889
  O      -2.671021      0.044565     -2.997754
  C      -2.472835     -0.069818     -0.644716
  C      -3.849855     -0.281858     -0.546775
  C      -4.478588     -0.566714      0.669141
  O      -5.807743     -0.757010      0.686287
  C      -3.689312     -0.641761      1.855049
  C      -4.341999     -0.935958      3.135143
  O      -5.560920     -1.202604      3.179274
  C      -3.549092     -1.025265      4.441753
  C      -2.298744     -0.447073      1.748825
  C      -1.686566     -0.164203      0.534749
  O      -0.326871      0.006191      0.455758
  C      -9.237487      9.436859      4.173441
  C      -9.287570      7.957947      3.898792
  O     -10.341275      7.472706      3.374249
  C      -8.182567      7.104396      4.254880
  C      -6.974876      7.596026      4.818521
  C      -5.953228      6.756849      5.207509
  O      -4.796317      7.243782      5.769872
  C      -6.075530      5.333297      5.065587
  C      -5.105292      4.404629      5.527225
  O      -5.397271      3.128104      5.548132
  C      -3.731281      4.715991      6.052310
  C      -7.275183      4.845130      4.470246
  C      -8.299443      5.687061      4.085964
  O      -9.458620      5.167431      3.584762
  C     -11.885128      6.106043      6.345484
  C     -10.533954      6.419071      6.933326
  O     -10.247027      7.574071      7.241784
  C      -9.535034      5.318233      7.188472
  C      -8.486931      5.635459      8.055735
  C      -7.489406      4.714053      8.377654
  O      -6.485283      5.103609      9.187409
  C      -7.537328      3.403984      7.811181
  C      -6.398122      2.508889      8.007537
  O      -5.470362      2.827853      8.787847
  C      -6.283109      1.191324      7.232843
  C      -8.605373      3.089653      6.951697
  C      -9.575017      4.021296      6.608531
  O     -10.497674      3.654300      5.655338
  H      -0.362590      1.618967     -1.507150
  H      -0.447975      1.128700     -3.244649
  H       0.187697      0.017923     -1.986135
  H      -4.447228     -0.223510     -1.457162
  H      -6.021324     -0.990249      1.649428
  H      -4.314134     -1.284429      5.199734
  H      -2.887806     -1.907183      4.335767
  H      -1.679314     -0.514805      2.643994
  H       0.043394     -0.095955      1.351322
  H      -9.237440      9.613132      5.260789
  H      -8.331388      9.902750      3.759600
  H     -10.122872      9.912038      3.736756
  H      -6.855003      8.671353      4.969240
  H      -4.883919      8.210734      5.850256
  H      -3.169320      5.350105      5.340611
  H      -3.800449      5.305763      6.985750
  H      -7.398806      3.770250      4.349098
  H     -10.021131      6.021186      3.366442
  H     -11.805053      6.086278      5.247543
  H     -12.261102      5.124299      6.657135
  H     -12.576868      6.910893      6.621284
  H      -8.442741      6.641172      8.474794
  H      -5.879765      4.292222      9.238753
  H      -6.831466      1.267563      6.288856
  H      -6.780013      0.401507      7.829162
  H      -8.658221      2.119481      6.459039
  H     -10.288183      4.175735      4.834342
  N      -4.191104      1.987334      3.672325
  H      -4.939500      2.591391      3.334566
  H      -3.731581      1.482627      2.919634
95
Coordinates from ORCA-job orca E -6661.174392849113
  N      -2.795773      0.145854      4.837487
  Mo     -3.811315      1.782057      5.614124
  N      -4.902004      0.829403      6.977616
  C      -4.269226      0.142683      8.108197
  C      -2.795283     -0.076513      7.820139
  N      -2.242126      1.125142      7.141529
  C      -1.030050      0.803734      6.358895
  C      -1.420776     -0.118098      5.202463
  C      -2.003679      2.248423      8.080582
  C      -1.966429      3.530430      7.268231
  N      -3.057367      3.459715      6.306836
  H      -0.703916      0.055926      4.371182
  H      -1.292888     -1.178571      5.491668
  H      -0.622789      1.749449      5.979606
  H      -0.265229      0.337845      7.004695
  H      -2.106408      4.392688      7.941271
  H      -0.989067      3.677584      6.770772
  H      -2.862169      2.286627      8.763617
  H      -1.080974      2.079083      8.662599
  H      -4.753592     -0.834897      8.291999
  H      -4.401328      0.743787      9.023756
  H      -2.664800     -0.925924      7.141593
  H      -2.230276     -0.287738      8.744239
  C      -0.464080      0.695373     -2.212813
  C      -1.880460      0.213027     -2.037254
  O      -2.615396      0.078509     -3.011342
  C      -2.423387     -0.083478     -0.660068
  C      -3.808933     -0.239712     -0.569150
  C      -4.454526     -0.507540      0.641197
  O      -5.791724     -0.635756      0.653881
  C      -3.675031     -0.624914      1.829493
  C      -4.346046     -0.909517      3.102113
  O      -5.571119     -1.148583      3.133694
  C      -3.567640     -1.008993      4.415473
  C      -2.277389     -0.485350      1.731979
  C      -1.647683     -0.219214      0.522477
  O      -0.281668     -0.105424      0.453512
  C      -9.249593      9.440896      4.147106
  C      -9.307757      7.957055      3.902956
  O     -10.369773      7.464999      3.401800
  C      -8.203557      7.105645      4.265048
  C      -6.990580      7.600300      4.814430
  C      -5.969757      6.762293      5.208511
  O      -4.807375      7.251792      5.757647
  C      -6.097402      5.337496      5.084195
  C      -5.126536      4.410576      5.548194
  O      -5.420316      3.134430      5.576187
  C      -3.750709      4.723256      6.067894
  C      -7.302352      4.846232      4.502963
  C      -8.326360      5.686858      4.116042
  O      -9.489821      5.166024      3.625934
  C     -11.904627      6.097302      6.403521
  C     -10.540696      6.418576      6.956504
  O     -10.244107      7.578539      7.235356
  C      -9.539099      5.319671      7.209238
  C      -8.481352      5.640806      8.063142
  C      -7.482020      4.719283      8.379993
  O      -6.471769      5.108240      9.182487
  C      -7.537107      3.407149      7.819787
  C      -6.397517      2.511994      8.015069
  O      -5.461777      2.838821      8.782709
  C      -6.286262      1.188704      7.250077
  C      -8.614149      3.089741      6.972480
  C      -9.588297      4.020004      6.637022
  O     -10.526896      3.651311      5.700702
  H      -0.229873      1.512317     -1.516397
  H      -0.329828      1.017694     -3.251255
  H       0.240349     -0.117039     -1.981145
  H      -4.398740     -0.146422     -1.481593
  H      -6.020285     -0.851423      1.617209
  H      -4.337854     -1.272017      5.166890
  H      -2.904254     -1.889498      4.310445
  H      -1.665593     -0.586609      2.629476
  H       0.078317     -0.240345      1.348861
  H      -9.238255      9.640107      5.230580
  H      -8.345559      9.894189      3.715266
  H     -10.137233      9.910579      3.709104
  H      -6.865444      8.677054      4.950357
  H      -4.890231      8.220164      5.825596
  H      -3.191938      5.361535      5.357887
  H      -3.818864      5.308274      7.004832
  H      -7.429351      3.770313      4.394802
  H     -10.052395      6.021151      3.407050
  H     -11.849417      6.073884      5.304270
  H     -12.269948      5.115547      6.727464
  H     -12.592163      6.901508      6.691567
  H      -8.431216      6.648440      8.477025
  H      -5.869434      4.294493      9.233361
  H      -6.841953      1.255199      6.309636
  H      -6.772834      0.400569      7.856805
  H      -8.674894      2.116511      6.486776
  H     -10.333813      4.176120      4.876984
  N      -4.222453      2.012652      3.681618
  H      -4.972450      2.618398      3.351363
  H      -3.762173      1.517155      2.923564
95
Coordinates from ORCA-job orca E -6661.174431720287
  N      -2.787865      0.105911      4.864428
  Mo     -3.803939      1.745931      5.633296
  N      -4.897875      0.810628      7.004253
  C      -4.268700      0.136020      8.143988
  C      -2.796466     -0.093522      7.857939
  N      -2.238049      1.099097      7.167786
  C      -1.026081      0.765499      6.390129
  C      -1.418092     -0.167569      5.244375
  C      -1.996430      2.231586      8.094946
  C      -1.951457      3.504510      7.268527
  N      -3.041043      3.428504      6.305661
  H      -0.692755     -0.013216      4.416322
  H      -1.302924     -1.225230      5.548761
  H      -0.615858      1.705806      6.000611
  H      -0.263157      0.304666      7.041818
  H      -2.088869      4.374697      7.931853
  H      -0.972472      3.641718      6.771536
  H      -2.855940      2.281260      8.776006
  H      -1.075610      2.064380      8.680616
  H      -4.758005     -0.836503      8.340558
  H      -4.398037      0.750339      9.051175
  H      -2.670967     -0.949915      7.187186
  H      -2.232150     -0.299060      8.783760
  C      -0.581756      0.915528     -2.170895
  C      -1.973261      0.363678     -2.000040
  O      -2.704882      0.210675     -2.973831
  C      -2.494237      0.018317     -0.626276
  C      -3.871493     -0.196005     -0.528761
  C      -4.496101     -0.511336      0.681209
  O      -5.826159     -0.699870      0.699992
  C      -3.703304     -0.617074      1.861598
  C      -4.353635     -0.944920      3.134754
  O      -5.575834     -1.197233      3.176042
  C      -3.562343     -1.046754      4.440343
  C      -2.313153     -0.419315      1.756904
  C      -1.704359     -0.106997      0.547670
  O      -0.344883      0.064378      0.470131
  C      -9.199244      9.404420      4.033044
  C      -9.266540      7.916112      3.821716
  O     -10.334298      7.419374      3.337448
  C      -8.166856      7.065956      4.199548
  C      -6.950170      7.564564      4.737177
  C      -5.934209      6.728622      5.148331
  O      -4.769413      7.221503      5.689336
  C      -6.070147      5.302615      5.052464
  C      -5.106374      4.378532      5.536844
  O      -5.408866      3.105484      5.588412
  C      -3.730756      4.692099      6.056168
  C      -7.277526      4.806809      4.480852
  C      -8.297752      5.644989      4.079642
  O      -9.464905      5.120148      3.602504
  C     -11.877809      6.108565      6.381365
  C     -10.509303      6.426619      6.925417
  O     -10.200097      7.588271      7.182431
  C      -9.517843      5.322641      7.193278
  C      -8.464005      5.641039      8.052858
  C      -7.471074      4.715367      8.377580
  O      -6.464032      5.100353      9.186068
  C      -7.528528      3.402603      7.819270
  C      -6.392042      2.505544      8.022140
  O      -5.460380      2.831628      8.795600
  C      -6.282466      1.174765      7.269958
  C      -8.603234      3.087615      6.967854
  C      -9.571834      4.021418      6.625252
  O     -10.508046      3.657592      5.685116
  H      -0.382118      1.725436     -1.455658
  H      -0.469021      1.269098     -3.201724
  H       0.161513      0.131774     -1.962987
  H      -4.471709     -0.111507     -1.435276
  H      -6.037351     -0.947042      1.659579
  H      -4.324635     -1.318727      5.196690
  H      -2.898239     -1.925038      4.321167
  H      -1.692205     -0.506984      2.649096
  H       0.027937     -0.070954      1.360120
  H      -9.179956      9.628823      5.111468
  H      -8.295287      9.842389      3.585444
  H     -10.086829      9.869252      3.589820
  H      -6.818812      8.643102      4.851781
  H      -4.845950      8.191566      5.738055
  H      -3.168655      5.324644      5.344120
  H      -3.800913      5.283061      6.989587
  H      -7.410434      3.729658      4.394965
  H     -10.027990      5.974310      3.376427
  H     -11.827838      6.077294      5.282259
  H     -12.246937      5.131169      6.713996
  H     -12.559512      6.918652      6.666969
  H      -8.410237      6.649747      8.463752
  H      -5.866284      4.283321      9.241565
  H      -6.836597      1.230558      6.327816
  H      -6.769520      0.393568      7.885078
  H      -8.665956      2.113463      6.484039
  H     -10.309138      4.183520      4.862685
  N      -4.233955      1.950335      3.702265
  H      -4.984593      2.554144      3.370694
  H      -3.772773      1.453115      2.945838
95
Coordinates from ORCA-job orca E -6661.174511883647
  N      -2.768196      0.123216      4.870173
  Mo     -3.792012      1.755456      5.647592
  N      -4.892149      0.810078      7.007061
  C      -4.268814      0.131755      8.147550
  C      -2.795019     -0.095406      7.867604
  N      -2.234196      1.101520      7.186854
  C      -1.018295      0.773591      6.413309
  C      -1.403930     -0.158294      5.266281
  C      -1.998355      2.230049      8.120061
  C      -1.945963      3.505730      7.298778
  N      -3.029632      3.435526      6.328604
  H      -0.667337     -0.011524      4.446615
  H      -1.299007     -1.215870      5.574346
  H      -0.610264      1.715684      6.025691
  H      -0.255542      0.314592      7.066455
  H      -2.086325      4.373511      7.964584
  H      -0.963776      3.643611      6.808532
  H      -2.862838      2.277935      8.794855
  H      -1.082225      2.059656      8.712223
  H      -4.758654     -0.841652      8.338111
  H      -4.403385      0.742578      9.056377
  H      -2.666843     -0.947654      7.191963
  H      -2.234873     -0.307023      8.794517
  C      -0.661784      0.938900     -2.211620
  C      -2.026153      0.327193     -2.026594
  O      -2.748300      0.112024     -2.995496
  C      -2.531729     -0.002855     -0.643709
  C      -3.900312     -0.260644     -0.535390
  C      -4.510374     -0.566145      0.684412
  O      -5.832844     -0.800587      0.711593
  C      -3.710848     -0.617212      1.863630
  C      -4.346874     -0.935518      3.147057
  O      -5.559410     -1.228622      3.196194
  C      -3.542728     -1.030377      4.446096
  C      -2.328103     -0.377199      1.748157
  C      -1.734109     -0.072815      0.529546
  O      -0.381935      0.143719      0.441936
  C      -9.159713      9.429423      4.037583
  C      -9.233026      7.941786      3.824427
  O     -10.296146      7.452195      3.322698
  C      -8.137609      7.087033      4.204308
  C      -6.925204      7.581321      4.755673
  C      -5.913273      6.742320      5.170587
  O      -4.754006      7.231131      5.726567
  C      -6.049353      5.317218      5.065906
  C      -5.090692      4.389978      5.554462
  O      -5.395546      3.117505      5.604064
  C      -3.718590      4.700579      6.084467
  C      -7.251584      4.825445      4.479321
  C      -8.267202      5.666632      4.072640
  O      -9.428507      5.145066      3.577731
  C     -11.881683      6.079566      6.330612
  C     -10.515506      6.400188      6.879886
  O     -10.207182      7.563310      7.131035
  C      -9.528371      5.297641      7.166947
  C      -8.487071      5.620706      8.040006
  C      -7.496037      4.698362      8.379558
  O      -6.499802      5.090367      9.197709
  C      -7.541705      3.384029      7.821686
  C      -6.402552      2.491724      8.028466
  O      -5.480621      2.812227      8.816418
  C      -6.280268      1.169042      7.264948
  C      -8.605633      3.064343      6.958776
  C      -9.572331      3.994347      6.601829
  O     -10.490931      3.626258      5.647128
  H      -0.496060      1.768216     -1.510190
  H      -0.567929      1.279449     -3.248712
  H       0.116175      0.192261     -1.993897
  H      -4.505975     -0.220882     -1.441400
  H      -6.032707     -1.037028      1.675869
  H      -4.297228     -1.308043      5.207947
  H      -2.876661     -1.906318      4.319741
  H      -1.702865     -0.419380      2.640280
  H      -0.002081      0.047708      1.334155
  H      -9.140881      9.654635      5.115611
  H      -8.252877      9.862793      3.590992
  H     -10.044024      9.898885      3.592714
  H      -6.794685      8.659117      4.877945
  H      -4.829908      8.200991      5.779399
  H      -3.152902      5.339060      5.380763
  H      -3.794794      5.284515      7.022009
  H      -7.383661      3.749087      4.384872
  H      -9.989005      6.001454      3.350416
  H     -11.827327      6.047603      5.231444
  H     -12.251291      5.102632      6.663591
  H     -12.565822      6.888961      6.612555
  H      -8.439980      6.630830      8.448032
  H      -5.897733      4.276487      9.261300
  H      -6.828683      1.228984      6.319640
  H      -6.768455      0.381210      7.870753
  H      -8.656925      2.090168      6.473496
  H     -10.279687      4.151353      4.827424
  N      -4.226395      1.964798      3.717936
  H      -4.981929      2.565009      3.390322
  H      -3.754316      1.484387      2.957281
95
Coordinates from ORCA-job orca E -6661.174561284528
  N      -2.791391      0.126020      4.854810
  Mo     -3.806451      1.760415      5.642135
  N      -4.895070      0.817016      7.011807
  C      -4.262078      0.138679      8.146912
  C      -2.790965     -0.089846      7.853683
  N      -2.235821      1.105886      7.166009
  C      -1.027634      0.776549      6.380490
  C      -1.424688     -0.158259      5.240215
  C      -1.989554      2.234655      8.096613
  C      -1.944860      3.510433      7.274887
  N      -3.037865      3.439961      6.315510
  H      -0.695235     -0.017502      4.413414
  H      -1.320609     -1.215032      5.551974
  H      -0.624718      1.718092      5.986198
  H      -0.257593      0.319950      7.026737
  H      -2.078723      4.378123      7.942209
  H      -0.967448      3.648268      6.775132
  H      -2.847038      2.283231      8.780169
  H      -1.067662      2.063383      8.679479
  H      -4.750870     -0.834311      8.342320
  H      -4.388095      0.749883      9.056675
  H      -2.669658     -0.943084      7.178109
  H      -2.222321     -0.300356      8.775648
  C      -0.573347      0.869504     -2.197800
  C      -1.961605      0.311382     -2.022383
  O      -2.687243      0.133211     -2.996300
  C      -2.487497     -0.009640     -0.644571
  C      -3.863505     -0.231929     -0.550275
  C      -4.493586     -0.528401      0.661387
  O      -5.822459     -0.724847      0.674098
  C      -3.707163     -0.607648      1.848146
  C      -4.361001     -0.920099      3.124250
  O      -5.578437     -1.193987      3.162686
  C      -3.568611     -1.024984      4.428811
  C      -2.317927     -0.401604      1.747405
  C      -1.703837     -0.105993      0.536532
  O      -0.345656      0.076454      0.465487
  C      -9.174268      9.433369      4.036733
  C      -9.251809      7.944116      3.836761
  O     -10.321136      7.451296      3.351812
  C      -8.154032      7.090581      4.211580
  C      -6.935299      7.585777      4.747586
  C      -5.921999      6.747001      5.159496
  O      -4.756143      7.236778      5.700596
  C      -6.063131      5.321396      5.066610
  C      -5.102740      4.394811      5.553080
  O      -5.409792      3.123073      5.611109
  C      -3.726511      4.705240      6.072519
  C      -7.272268      4.828726      4.495233
  C      -8.289387      5.669981      4.092209
  O      -9.458095      5.149531      3.614410
  C     -11.898439      6.073143      6.376169
  C     -10.526256      6.398166      6.908093
  O     -10.215546      7.563151      7.147239
  C      -9.535170      5.298121      7.189888
  C      -8.490260      5.623139      8.057944
  C      -7.497281      4.701635      8.394269
  O      -6.498520      5.093642      9.209510
  C      -7.544123      3.387213      7.837344
  C      -6.404027      2.496079      8.042371
  O      -5.477117      2.821785      8.822373
  C      -6.282413      1.173099      7.279060
  C      -8.610743      3.065889      6.978337
  C      -9.579800      3.994675      6.625039
  O     -10.502243      3.625041      5.674385
  H      -0.383624      1.697241     -1.500435
  H      -0.456633      1.199264     -3.235999
  H       0.173819      0.096372     -1.965676
  H      -4.458619     -0.170520     -1.462040
  H      -6.038927     -0.958527      1.635582
  H      -4.328906     -1.298665      5.186268
  H      -2.905337     -1.903550      4.306800
  H      -1.702734     -0.466273      2.645691
  H       0.021988     -0.039504      1.360446
  H      -9.141379      9.668494      5.112323
  H      -8.272596      9.861605      3.574906
  H     -10.063533      9.900045      3.598869
  H      -6.800745      8.664079      4.860410
  H      -4.828295      8.207320      5.745594
  H      -3.164621      5.341037      5.363478
  H      -3.795743      5.291578      7.009191
  H      -7.408589      3.752022      4.411072
  H     -10.017204      6.006462      3.386515
  H     -11.857966      6.046593      5.276112
  H     -12.260069      5.093618      6.709964
  H     -12.582099      6.878904      6.669591
  H      -8.442394      6.633413      8.465479
  H      -5.896446      4.279725      9.271676
  H      -6.837386      1.230385      6.337501
  H      -6.764192      0.384482      7.888936
  H      -8.662694      2.091400      6.493842
  H     -10.300176      4.155069      4.856011
  N      -4.252314      1.972121      3.715314
  H      -5.008596      2.573417      3.391126
  H      -3.787112      1.487975      2.952769
95
Coordinates from ORCA-job orca E -6661.174579526877
  N      -2.782691      0.113098      4.867157
  Mo     -3.801863      1.745038      5.656619
  N      -4.892160      0.807290      7.027447
  C      -4.261244      0.135005      8.167371
  C      -2.791086     -0.098098      7.875205
  N      -2.233544      1.094243      7.183739
  C      -1.024819      0.761221      6.400496
  C      -1.421025     -0.179381      5.265963
  C      -1.986797      2.226326      8.110083
  C      -1.937549      3.498469      7.282996
  N      -3.029115      3.426488      6.321757
  H      -0.683703     -0.053018      4.443560
  H      -1.327732     -1.234198      5.587668
  H      -0.622569      1.700864      6.000971
  H      -0.254470      0.308539      7.049199
  H      -2.070835      4.369140      7.946525
  H      -0.958967      3.632151      6.784559
  H      -2.845617      2.279911      8.791677
  H      -1.066582      2.055396      8.695745
  H      -4.752236     -0.835642      8.368499
  H      -4.386445      0.752373      9.073060
  H      -2.672522     -0.953564      7.201973
  H      -2.222832     -0.307446      8.797694
  C      -0.645197      0.973812     -2.190876
  C      -2.012539      0.365954     -2.014721
  O      -2.732276      0.161657     -2.987854
  C      -2.524838      0.027959     -0.636218
  C      -3.894637     -0.227873     -0.536398
  C      -4.511795     -0.539674      0.678193
  O      -5.836321     -0.763700      0.698303
  C      -3.717866     -0.603437      1.860556
  C      -4.358585     -0.938129      3.137637
  O      -5.570862     -1.233741      3.179537
  C      -3.559503     -1.037925      4.438523
  C      -2.334561     -0.362969      1.754183
  C      -1.733584     -0.050722      0.540988
  O      -0.380435      0.163725      0.463042
  C      -9.140878      9.423607      3.986258
  C      -9.224777      7.932784      3.801659
  O     -10.295423      7.439742      3.319959
  C      -8.132846      7.077632      4.189458
  C      -6.914060      7.572163      4.725504
  C      -5.905664      6.732631      5.147765
  O      -4.739076      7.222185      5.687701
  C      -6.052342      5.306883      5.066204
  C      -5.095223      4.380591      5.560847
  O      -5.405384      3.110237      5.627099
  C      -3.718283      4.691352      6.078255
  C      -7.262302      4.814390      4.496488
  C      -8.274573      5.656575      4.082656
  O      -9.443051      5.137938      3.602872
  C     -11.888326      6.067534      6.355219
  C     -10.512884      6.395705      6.877333
  O     -10.196968      7.562802      7.098430
  C      -9.524418      5.296168      7.168059
  C      -8.479812      5.624006      8.035300
  C      -7.489794      4.701708      8.378217
  O      -6.490775      5.094536      9.192864
  C      -7.539492      3.384522      7.828708
  C      -6.402513      2.492325      8.043647
  O      -5.478179      2.821482      8.825498
  C      -6.280041      1.164335      7.289363
  C      -8.605435      3.060980      6.969612
  C      -9.572268      3.989821      6.610697
  O     -10.496777      3.617829      5.663165
  H      -0.480881      1.799937     -1.485332
  H      -0.545495      1.318732     -3.225979
  H       0.129870      0.224663     -1.971855
  H      -4.495749     -0.178425     -1.444948
  H      -6.043429     -0.994482      1.662549
  H      -4.315488     -1.317784      5.198239
  H      -2.893976     -1.913899      4.310578
  H      -1.715133     -0.411906      2.650381
  H      -0.005957      0.058401      1.356452
  H      -9.104598      9.670821      5.058990
  H      -8.238209      9.842502      3.517740
  H     -10.028867      9.889438      3.544935
  H      -6.775003      8.650843      4.829137
  H      -4.806701      8.193458      5.723301
  H      -3.156816      5.327101      5.369151
  H      -3.787924      5.277774      7.014975
  H      -7.402529      3.737502      4.421041
  H      -9.997318      5.996382      3.366496
  H     -11.854905      6.037966      5.255148
  H     -12.247397      5.089046      6.694818
  H     -12.570583      6.873892      6.650410
  H      -8.429283      6.636559      8.436879
  H      -5.890467      4.279581      9.257855
  H      -6.832439      1.214828      6.346014
  H      -6.762347      0.379502      7.903736
  H      -8.659687      2.083617      6.491238
  H     -10.299393      4.149293      4.844849
  N      -4.263000      1.945352      3.732446
  H      -5.023283      2.542772      3.410925
  H      -3.791934      1.470539      2.967814
95
Coordinates from ORCA-job orca E -6661.174599550057
  N      -2.792860      0.117547      4.856665
  Mo     -3.810639      1.747851      5.654181
  N      -4.896682      0.812066      7.029188
  C      -4.261705      0.139853      8.166840
  C      -2.793123     -0.094924      7.868477
  N      -2.237619      1.096894      7.174529
  C      -1.031946      0.764163      6.386209
  C      -1.432131     -0.179222      5.256496
  C      -1.986706      2.229039      8.099808
  C      -1.939167      3.501038      7.272298
  N      -3.033756      3.429125      6.314526
  H      -0.694663     -0.061678      4.432998
  H      -1.343850     -1.232826      5.584117
  H      -0.633528      1.703726      5.982634
  H      -0.257465      0.314149      7.031875
  H      -2.070228      4.371716      7.936299
  H      -0.962134      3.634422      6.770810
  H      -2.843283      2.283822      8.784133
  H      -1.064897      2.057006      8.682622
  H      -4.752731     -0.830223      8.370583
  H      -4.382690      0.757897      9.072669
  H      -2.678863     -0.950466      7.194626
  H      -2.221137     -0.304886      8.788517
  C      -0.600828      0.939423     -2.192410
  C      -1.977665      0.351974     -2.020494
  O      -2.697669      0.160530     -2.996113
  C      -2.498548      0.018117     -0.644136
  C      -3.869584     -0.234631     -0.552051
  C      -4.494591     -0.544855      0.658826
  O      -5.818933     -0.771601      0.670629
  C      -3.708427     -0.607055      1.846178
  C      -4.358889     -0.936197      3.119893
  O      -5.573247     -1.223890      3.154349
  C      -3.569287     -1.033770      4.426504
  C      -2.323914     -0.370196      1.747955
  C      -1.714565     -0.061389      0.538063
  O      -0.360552      0.150295      0.469076
  C      -9.145736      9.429089      3.990940
  C      -9.233911      7.938095      3.810345
  O     -10.308397      7.446799      3.335324
  C      -8.142248      7.081269      4.195404
  C      -6.920542      7.575356      4.724917
  C      -5.911544      6.735604      5.145146
  O      -4.742236      7.225072      5.679343
  C      -6.060530      5.309881      5.067771
  C      -5.102885      4.383379      5.561561
  O      -5.414867      3.113755      5.633194
  C      -3.723365      4.693938      6.072263
  C      -7.273330      4.817600      4.504204
  C      -8.286688      5.659866      4.092437
  O      -9.457058      5.141439      3.618562
  C     -11.894671      6.069359      6.381308
  C     -10.514459      6.399454      6.890222
  O     -10.196495      7.567280      7.104219
  C      -9.526379      5.300271      7.181564
  C      -8.480421      5.628267      8.047045
  C      -7.490951      4.705247      8.389887
  O      -6.491842      5.097208      9.204829
  C      -7.541651      3.388087      7.840164
  C      -6.404083      2.495970      8.051818
  O      -5.479444      2.822232      8.834621
  C      -6.283668      1.168535      7.295952
  C      -8.609464      3.064516      6.983248
  C      -9.576591      3.993406      6.625940
  O     -10.503641      3.621197      5.680946
  H      -0.430964      1.769408     -1.492602
  H      -0.490100      1.275217     -3.229371
  H       0.163164      0.182643     -1.961501
  H      -4.464699     -0.185717     -1.464563
  H      -6.030714     -1.008466      1.632234
  H      -4.330212     -1.309974      5.182457
  H      -2.903945     -1.910966      4.306535
  H      -1.711534     -0.418476      2.648961
  H       0.007785      0.043754      1.364876
  H      -9.101657      9.679546      5.062581
  H      -8.245135      9.844427      3.515252
  H     -10.035454      9.895821      3.554082
  H      -6.779630      8.654091      4.825468
  H      -4.807821      8.196604      5.711544
  H      -3.164664      5.328636      5.360194
  H      -3.789249      5.281072      7.008880
  H      -7.414930      3.740648      4.432593
  H     -10.013118      5.999829      3.385234
  H     -11.873066      6.048908      5.280629
  H     -12.247065      5.087573      6.718072
  H     -12.576301      6.871550      6.689273
  H      -8.428436      6.641058      8.447851
  H      -5.892972      4.281240      9.271177
  H      -6.839021      1.220014      6.354482
  H      -6.763423      0.382944      7.911354
  H      -8.664595      2.087092      6.505160
  H     -10.316225      4.160530      4.865948
  N      -4.283482      1.947919      3.733220
  H      -5.046845      2.543361      3.415413
  H      -3.809983      1.480305      2.965701
95
Coordinates from ORCA-job orca E -6661.174620449380
  N      -2.795431      0.107808      4.859023
  Mo     -3.812478      1.739043      5.657453
  N      -4.897256      0.811434      7.039128
  C      -4.261448      0.144010      8.179124
  C      -2.794268     -0.095436      7.878474
  N      -2.238228      1.091870      7.177473
  C      -1.034711      0.753435      6.387985
  C      -1.438586     -0.197330      5.267030
  C      -1.982963      2.228444      8.096095
  C      -1.932025      3.495492      7.261205
  N      -3.027982      3.422172      6.304806
  H      -0.696745     -0.095144      4.445320
  H      -1.360473     -1.248290      5.605642
  H      -0.638463      1.690177      5.975713
  H      -0.257456      0.308739      7.034003
  H      -2.059055      4.370322      7.920456
  H      -0.955140      3.622540      6.757897
  H      -2.838791      2.290119      8.780805
  H      -1.061366      2.056671      8.679357
  H      -4.754260     -0.823801      8.389060
  H      -4.379202      0.766939      9.081989
  H      -2.684309     -0.954235      7.208026
  H      -2.220321     -0.302813      8.797844
  C      -0.614198      0.981389     -2.183093
  C      -1.982259      0.372704     -2.015296
  O      -2.694845      0.166746     -2.993398
  C      -2.504032      0.034934     -0.640209
  C      -3.871236     -0.239063     -0.553384
  C      -4.496784     -0.556167      0.655612
  O      -5.817337     -0.803502      0.661310
  C      -3.714543     -0.604242      1.846585
  C      -4.363906     -0.942094      3.118838
  O      -5.573023     -1.251578      3.149485
  C      -3.574679     -1.040835      4.425516
  C      -2.333652     -0.345238      1.753313
  C      -1.724198     -0.028768      0.545665
  O      -0.373596      0.205893      0.482434
  C      -9.131704      9.428671      3.979401
  C      -9.223989      7.937453      3.802344
  O     -10.300486      7.447529      3.330831
  C      -8.132742      7.078999      4.185545
  C      -6.908057      7.571827      4.708969
  C      -5.900092      6.730961      5.129522
  O      -4.728599      7.219579      5.659580
  C      -6.053595      5.305376      5.058558
  C      -5.097540      4.378336      5.554944
  O      -5.413360      3.110514      5.636131
  C      -3.715264      4.687624      6.058938
  C      -7.269047      4.814347      4.499858
  C      -8.281602      5.657721      4.087882
  O      -9.455440      5.141204      3.621188
  C     -11.894299      6.065309      6.378426
  C     -10.511583      6.396593      6.880652
  O     -10.190827      7.565471      7.084395
  C      -9.525922      5.297825      7.179931
  C      -8.482150      5.628694      8.046873
  C      -7.494230      4.706428      8.396142
  O      -6.497443      5.101556      9.212340
  C      -7.543663      3.387205      7.850571
  C      -6.404331      2.497130      8.061609
  O      -5.479822      2.823687      8.844639
  C      -6.283944      1.169421      7.306324
  C      -8.610674      3.060229      6.993842
  C      -9.575778      3.988445      6.630086
  O     -10.497581      3.613208      5.681154
  H      -0.460320      1.815806     -1.484854
  H      -0.504334      1.315934     -3.220548
  H       0.160493      0.237168     -1.946931
  H      -4.463069     -0.201942     -1.468556
  H      -6.029790     -1.042460      1.622575
  H      -4.336182     -1.317520      5.180676
  H      -2.911122     -1.919232      4.304346
  H      -1.725374     -0.380486      2.657592
  H      -0.008352      0.110060      1.380713
  H      -9.076847      9.681809      5.049801
  H      -8.234885      9.841195      3.494019
  H     -10.024554      9.896005      3.549630
  H      -6.764338      8.650570      4.805333
  H      -4.791275      8.191442      5.686892
  H      -3.157835      5.317638      5.341773
  H      -3.776095      5.279359      6.992982
  H      -7.414108      3.737534      4.433817
  H     -10.009681      5.999901      3.386095
  H     -11.879217      6.048691      5.277472
  H     -12.244097      5.082646      6.714890
  H     -12.575305      6.865947      6.692085
  H      -8.430376      6.643080      8.443628
  H      -5.899583      4.285170      9.285075
  H      -6.840150      1.219949      6.365333
  H      -6.763434      0.384517      7.922884
  H      -8.663904      2.081532      6.518148
  H     -10.310106      4.154225      4.867643
  N      -4.299811      1.926015      3.738645
  H      -5.063702      2.521399      3.422028
  H      -3.829523      1.455968      2.970535
95
Coordinates from ORCA-job orca E -6661.174634244013
  N      -2.798716      0.105693      4.857213
  Mo     -3.816773      1.735386      5.658356
  N      -4.899760      0.810832      7.043379
  C      -4.262397      0.144104      8.183011
  C      -2.795944     -0.096506      7.880022
  N      -2.240632      1.089797      7.176897
  C      -1.038113      0.750611      6.386032
  C      -1.443321     -0.202492      5.268235
  C      -1.983863      2.227695      8.093414
  C      -1.932146      3.493131      7.256056
  N      -3.028788      3.419187      6.300324
  H      -0.700018     -0.106384      4.447111
  H      -1.369200     -1.252371      5.611183
  H      -0.643746      1.686824      5.970760
  H      -0.259059      0.308069      7.031357
  H      -2.057752      4.369349      7.913671
  H      -0.955470      3.618119      6.751891
  H      -2.839261      2.291678      8.778474
  H      -1.062150      2.056000      8.676521
  H      -4.755454     -0.823259      8.394422
  H      -4.378440      0.767737      9.085552
  H      -2.688096     -0.955910      7.209949
  H      -2.220451     -0.303608      8.798481
  C      -0.608511      0.988938     -2.181249
  C      -1.975356      0.377048     -2.015155
  O      -2.685165      0.167756     -2.994599
  C      -2.498823      0.038048     -0.640905
  C      -3.863795     -0.248198     -0.558449
  C      -4.490998     -0.568495      0.648876
  O      -5.809207     -0.827794      0.650026
  C      -3.712694     -0.607069      1.842908
  C      -4.363066     -0.949821      3.113431
  O      -5.569746     -1.269202      3.140637
  C      -3.577566     -1.043196      4.422698
  C      -2.334038     -0.334810      1.754157
  C      -1.722985     -0.015381      0.548168
  O      -0.374450      0.232389      0.490028
  C      -9.129603      9.430221      3.977983
  C      -9.224120      7.938783      3.803588
  O     -10.300163      7.449585      3.330469
  C      -8.133485      7.079466      4.186906
  C      -6.907722      7.571200      4.708530
  C      -5.900519      6.729377      5.129033
  O      -4.727547      7.217245      5.656547
  C      -6.056469      5.303899      5.060388
  C      -5.100249      4.376276      5.555820
  O      -5.417137      3.109097      5.640252
  C      -3.715492      4.684910      6.053552
  C      -7.273578      4.814051      4.504335
  C      -8.285007      5.658474      4.091352
  O      -9.459978      5.144052      3.625731
  C     -11.893719      6.067782      6.384652
  C     -10.508635      6.399272      6.880536
  O     -10.185125      7.568774      7.076078
  C      -9.522789      5.300671      7.179561
  C      -8.476107      5.633233      8.042366
  C      -7.489019      4.710612      8.392997
  O      -6.488253      5.107795      9.203348
  C      -7.542802      3.389004      7.853834
  C      -6.405139      2.497435      8.067161
  O      -5.478617      2.826049      8.846809
  C      -6.285932      1.169253      7.312291
  C      -8.611754      3.060616      7.000126
  C      -9.575363      3.989444      6.634271
  O     -10.498080      3.611890      5.687116
  H      -0.460180      1.827759     -1.487102
  H      -0.496160      1.318470     -3.220048
  H       0.167920      0.248750     -1.938368
  H      -4.452522     -0.218298     -1.475875
  H      -6.023134     -1.065834      1.611334
  H      -4.341061     -1.318726      5.176220
  H      -2.913782     -1.921965      4.305429
  H      -1.729779     -0.361122      2.661429
  H      -0.012616      0.144058      1.390488
  H      -9.072570      9.684665      5.047935
  H      -8.233099      9.840907      3.490391
  H     -10.022583      9.897949      3.548934
  H      -6.762271      8.649848      4.803230
  H      -4.788683      8.189257      5.681689
  H      -3.160223      5.312004      5.332109
  H      -3.771684      5.279489      6.985973
  H      -7.420523      3.737346      4.440171
  H     -10.011260      6.003355      3.387365
  H     -11.884746      6.054011      5.283492
  H     -12.241542      5.084562      6.721264
  H     -12.573397      6.867654      6.703268
  H      -8.421506      6.649162      8.434769
  H      -5.890040      4.291780      9.275311
  H      -6.843014      1.220396      6.371845
  H      -6.765190      0.384628      7.929321
  H      -8.667545      2.080186      6.528350
  H     -10.313479      4.153030      4.873168
  N      -4.314291      1.916981      3.741764
  H      -5.082495      2.508297      3.427922
  H      -3.840079      1.454646      2.971384
95
Coordinates from ORCA-job orca E -6661.174642585688
  N      -2.802084      0.102522      4.855947
  Mo     -3.822066      1.730400      5.659193
  N      -4.902973      0.811256      7.048940
  C      -4.264099      0.146094      8.188792
  C      -2.798698     -0.096702      7.883259
  N      -2.243865      1.087732      7.176840
  C      -1.042159      0.746835      6.385270
  C      -1.448499     -0.209026      5.270908
  C      -1.985485      2.227831      8.090105
  C      -1.932658      3.490764      7.248900
  N      -3.029811      3.415332      6.293683
  H      -0.703340     -0.119555      4.450686
  H      -1.378818     -1.257663      5.618668
  H      -0.649225      1.682147      5.966608
  H      -0.261808      0.306602      7.030584
  H      -2.056725      4.369184      7.903798
  H      -0.956004      3.612787      6.743994
  H      -2.840398      2.295010      8.775502
  H      -1.063605      2.056744      8.673134
  H      -4.757937     -0.820315      8.402620
  H      -4.377904      0.771467      9.090356
  H      -2.693480     -0.957345      7.214297
  H      -2.221484     -0.302870      8.800857
  C      -0.599126      0.994989     -2.181385
  C      -1.965934      0.382571     -2.017071
  O      -2.674241      0.173497     -2.997721
  C      -2.490982      0.041724     -0.643801
  C      -3.853530     -0.257469     -0.565697
  C      -4.481965     -0.581658      0.639982
  O      -5.797626     -0.853511      0.637402
  C      -3.707646     -0.610474      1.836905
  C      -4.359413     -0.959378      3.104962
  O      -5.562886     -1.291501      3.126672
  C      -3.579769     -1.046271      4.418217
  C      -2.331603     -0.324056      1.752721
  C      -1.719268     -0.001211      0.548339
  O      -0.373049      0.260643      0.495259
  C      -9.125345      9.432575      3.977322
  C      -9.223600      7.941278      3.803585
  O     -10.302858      7.454177      3.335983
  C      -8.134190      7.079728      4.186433
  C      -6.905672      7.569875      4.702716
  C      -5.899366      6.726805      5.122971
  O      -4.723179      7.213592      5.644375
  C      -6.059436      5.301542      5.059781
  C      -5.103177      4.373381      5.554730
  O      -5.421699      3.107270      5.644200
  C      -3.715292      4.681347      6.044351
  C      -7.279548      4.813171      4.509470
  C      -8.290031      5.658783      4.096245
  O      -9.467438      5.145766      3.635504
  C     -11.893861      6.070641      6.391476
  C     -10.507559      6.402889      6.883534
  O     -10.183960      7.572648      7.077344
  C      -9.521787      5.304533      7.182915
  C      -8.473554      5.637799      8.043597
  C      -7.486980      4.714899      8.394927
  O      -6.485117      5.112343      9.203889
  C      -7.542930      3.392366      7.858582
  C      -6.405038      2.500928      8.071681
  O      -5.476609      2.831752      8.847957
  C      -6.288335      1.170723      7.319589
  C      -8.613447      3.062964      7.007218
  C      -9.576320      3.992281      6.640622
  O     -10.500857      3.613379      5.695674
  H      -0.454724      1.837715     -1.491118
  H      -0.483674      1.319672     -3.221375
  H       0.177662      0.257341     -1.932086
  H      -4.439195     -0.234540     -1.485259
  H      -6.012615     -1.089072      1.599250
  H      -4.346519     -1.321106      5.168618
  H      -2.915665     -1.925489      4.305759
  H      -1.731355     -0.341295      2.662772
  H      -0.014796      0.179737      1.397861
  H      -9.062640      9.686202      5.047168
  H      -8.230482      9.841736      3.485480
  H     -10.019571      9.901887      3.552640
  H      -6.756918      8.648439      4.793277
  H      -4.781704      8.185866      5.665590
  H      -3.162406      5.303785      5.317009
  H      -3.765556      5.280520      6.974039
  H      -7.429663      3.736603      4.449608
  H     -10.017039      6.005253      3.394680
  H     -11.889832      6.064152      5.290229
  H     -12.238383      5.084813      6.723722
  H     -12.573868      6.867292      6.717592
  H      -8.417721      6.654391      8.434174
  H      -5.888150      4.295738      9.277305
  H      -6.846409      1.221493      6.379700
  H      -6.767411      0.387349      7.938264
  H      -8.671154      2.081516      6.537829
  H     -10.320498      4.156604      4.881991
  N      -4.332641      1.903199      3.745371
  H      -5.104131      2.491611      3.434338
  H      -3.855483      1.447635      2.972852
95
Coordinates from ORCA-job orca E -6661.174649012434
  N      -2.811712      0.094456      4.852951
  Mo     -3.831624      1.722306      5.656834
  N      -4.908953      0.810861      7.054114
  C      -4.267231      0.147813      8.193669
  C      -2.803358     -0.098140      7.883798
  N      -2.249424      1.083455      7.172126
  C      -1.049625      0.739405      6.378841
  C      -1.458851     -0.219495      5.268697
  C      -1.987948      2.226567      8.080715
  C      -1.935497      3.486442      7.234671
  N      -3.034599      3.408697      6.281813
  H      -0.713791     -0.135799      4.447814
  H      -1.392183     -1.266906      5.620862
  H      -0.657661      1.673195      5.955901
  H      -0.267867      0.301170      7.023768
  H      -2.057291      4.367531      7.886361
  H      -0.959621      3.605387      6.727500
  H      -2.841190      2.297324      8.767838
  H      -1.064847      2.056653      8.662149
  H      -4.762041     -0.817211      8.411376
  H      -4.377217      0.775792      9.093902
  H      -2.701902     -0.960777      7.216790
  H      -2.223295     -0.302576      8.799993
  C      -0.573857      1.007241     -2.169167
  C      -1.941827      0.395346     -2.013150
  O      -2.645894      0.191010     -2.997911
  C      -2.473098      0.048858     -0.643653
  C      -3.833829     -0.261091     -0.574739
  C      -4.467672     -0.591768      0.626250
  O      -5.780904     -0.874945      0.614587
  C      -3.701249     -0.615074      1.828449
  C      -4.358736     -0.970156      3.091799
  O      -5.559732     -1.311948      3.104742
  C      -3.588902     -1.053161      4.411067
  C      -2.327055     -0.317522      1.753649
  C      -1.709141      0.010909      0.553552
  O      -0.364704      0.283752      0.510243
  C      -9.131376      9.427874      3.971379
  C      -9.232806      7.936014      3.803876
  O     -10.314192      7.448669      3.341738
  C      -8.143144      7.074227      4.185888
  C      -6.911315      7.564073      4.694412
  C      -5.904346      6.720659      5.112705
  O      -4.724419      7.207376      5.625711
  C      -6.067380      5.295493      5.055606
  C      -5.110009      4.367369      5.548736
  O      -5.429932      3.102348      5.644271
  C      -3.718370      4.674937      6.028238
  C      -7.291012      4.807460      4.513038
  C      -8.301731      5.653406      4.101262
  O      -9.481774      5.141027      3.646371
  C     -11.888335      6.085178      6.409421
  C     -10.499560      6.415623      6.895582
  O     -10.172518      7.585308      7.084056
  C      -9.515451      5.315867      7.194918
  C      -8.461618      5.649834      8.048557
  C      -7.475643      4.725829      8.398587
  O      -6.468405      5.124406      9.200277
  C      -7.538113      3.401119      7.868206
  C      -6.401115      2.507445      8.078271
  O      -5.468756      2.837288      8.850035
  C      -6.292068      1.174561      7.329525
  C      -8.614232      3.070917      7.024258
  C      -9.576659      4.001385      6.659039
  O     -10.507863      3.620533      5.721591
  H      -0.433947      1.850685     -1.478848
  H      -0.451762      1.331067     -3.208659
  H       0.201411      0.269958     -1.914126
  H      -4.413484     -0.241564     -1.498175
  H      -6.000330     -1.113013      1.574890
  H      -4.361302     -1.325401      5.156433
  H      -2.925741     -1.934073      4.305525
  H      -1.733388     -0.329796      2.668074
  H      -0.012862      0.206218      1.415667
  H      -9.062934      9.684432      5.040181
  H      -8.238493      9.834186      3.473662
  H     -10.027114      9.896903      3.549620
  H      -6.759958      8.642683      4.780006
  H      -4.781190      8.179839      5.643180
  H      -3.168498      5.290690      5.292857
  H      -3.760979      5.280797      6.953823
  H      -7.443376      3.730971      4.457406
  H     -10.031335      6.000448      3.406540
  H     -11.889615      6.081515      5.308087
  H     -12.232495      5.099138      6.741276
  H     -12.565976      6.881981      6.740216
  H      -8.401028      6.667988      8.434355
  H      -5.872604      4.307103      9.273421
  H      -6.853406      1.225966      6.391585
  H      -6.771267      0.393944      7.951462
  H      -8.677672      2.087478      6.559840
  H     -10.333812      4.162757      4.905670
  N      -4.354740      1.884983      3.745607
  H      -5.127740      2.472439      3.436591
  H      -3.877780      1.431467      2.971759
95
Coordinates from ORCA-job orca E -6661.174654791547
  N      -2.817181      0.087107      4.852737
  Mo     -3.837970      1.714790      5.655795
  N      -4.913572      0.809725      7.058131
  C      -4.271017      0.147626      8.197797
  C      -2.808024     -0.100760      7.885955
  N      -2.254055      1.078722      7.170972
  C      -1.054832      0.732062      6.378019
  C      -1.465222     -0.228686      5.270266
  C      -1.991161      2.224245      8.076098
  C      -1.937547      3.481478      7.226086
  N      -3.036910      3.402104      6.273626
  H      -0.719243     -0.148743      4.449829
  H      -1.401073     -1.275352      5.625141
  H      -0.662563      1.664566      5.952540
  H      -0.273191      0.294910      7.023764
  H      -2.058139      4.364871      7.874846
  H      -0.961496      3.597521      6.718526
  H      -2.843873      2.298047      8.763536
  H      -1.067787      2.055308      8.657404
  H      -4.767053     -0.816302      8.417435
  H      -4.378894      0.777167      9.097182
  H      -2.708747     -0.964790      7.220357
  H      -2.226616     -0.304070      8.801554
  C      -0.563407      1.028097     -2.159667
  C      -1.930507      0.413153     -2.008880
  O      -2.631031      0.209328     -2.996325
  C      -2.464400      0.060225     -0.641960
  C      -3.821674     -0.266164     -0.579896
  C      -4.457695     -0.605360      0.617488
  O      -5.766920     -0.905940      0.598410
  C      -3.697322     -0.619411      1.823892
  C      -4.356837     -0.981999      3.084112
  O      -5.554227     -1.336753      3.091031
  C      -3.593798     -1.059704      4.407835
  C      -2.326614     -0.304907      1.756091
  C      -1.706408      0.031158      0.559197
  O      -0.365210      0.320837      0.523729
  C      -9.128601      9.424936      3.959461
  C      -9.235032      7.932511      3.799897
  O     -10.320166      7.445731      3.346315
  C      -8.145238      7.069964      4.180276
  C      -6.909388      7.559333      4.679466
  C      -5.902227      6.715558      5.096828
  O      -4.718278      7.202084      5.600621
  C      -6.069155      5.290556      5.048254
  C      -5.111909      4.362426      5.541706
  O      -5.434019      3.098776      5.643721
  C      -3.717475      4.668968      6.014127
  C      -7.296717      4.802837      4.514478
  C      -8.307387      5.649162      4.103753
  O      -9.491275      5.136882      3.658031
  C     -11.887646      6.096273      6.428256
  C     -10.495265      6.424113      6.905643
  O     -10.163933      7.593569      7.088203
  C      -9.512707      5.322769      7.204351
  C      -8.455387      5.656542      8.053907
  C      -7.470003      4.731562      8.402774
  O      -6.459730      5.129980      9.200784
  C      -7.536470      3.405923      7.875362
  C      -6.399673      2.511153      8.082751
  O      -5.463385      2.841792      8.849283
  C      -6.295391      1.176764      7.335849
  C      -8.616009      3.075628      7.035936
  C      -9.577972      4.007131      6.671635
  O     -10.512012      3.625889      5.737249
  H      -0.429576      1.874561     -1.471836
  H      -0.436375      1.348261     -3.199684
  H       0.212444      0.294031     -1.897117
  H      -4.396610     -0.253336     -1.506391
  H      -5.988318     -1.148380      1.557302
  H      -4.370120     -1.330243      5.149556
  H      -2.931462     -1.942009      4.307484
  H      -1.737660     -0.309520      2.673531
  H      -0.018116      0.247704      1.431350
  H      -9.052935      9.685697      5.026775
  H      -8.237850      9.826823      3.454442
  H     -10.025795      9.894262      3.541157
  H      -6.754773      8.637987      4.758472
  H      -4.772714      8.174772      5.613215
  H      -3.168653      5.277502      5.271891
  H      -3.753859      5.281748      6.935296
  H      -7.452363      3.726526      4.465336
  H     -10.040398      5.996064      3.417109
  H     -11.895539      6.091504      5.326940
  H     -12.232568      5.111614      6.763217
  H     -12.561247      6.895356      6.761889
  H      -8.391930      6.675405      8.437383
  H      -5.865349      4.311834      9.274199
  H      -6.858532      1.228626      6.398985
  H      -6.775091      0.397945      7.959549
  H      -8.682778      2.091354      6.573772
  H     -10.338133      4.165507      4.919331
  N      -4.371024      1.868192      3.746490
  H      -5.145883      2.453965      3.439017
  H      -3.892011      1.418937      2.971443
95
Coordinates from ORCA-job orca E -6661.174658200810
  N      -2.822708      0.084134      4.851139
  Mo     -3.843490      1.712178      5.652615
  N      -4.917492      0.810266      7.058113
  C      -4.274143      0.147599      8.196923
  C      -2.811430     -0.101144      7.883793
  N      -2.257976      1.077671      7.167382
  C      -1.059064      0.729981      6.374686
  C      -1.469997     -0.230592      5.266887
  C      -1.994703      2.224338      8.070960
  C      -1.941402      3.480499      7.219335
  N      -3.040916      3.399921      6.267271
  H      -0.724813     -0.149367      4.445868
  H      -1.404717     -1.277491      5.620873
  H      -0.665740      1.662001      5.949152
  H      -0.278142      0.292218      7.020862
  H      -2.062165      4.364712      7.866978
  H      -0.965347      3.596138      6.711620
  H      -2.846970      2.299001      8.758796
  H      -1.070894      2.056301      8.651851
  H      -4.770366     -0.816219      8.416621
  H      -4.381053      0.776925      9.096576
  H      -2.712741     -0.965647      7.218699
  H      -2.229157     -0.303829      8.798989
  C      -0.541549      1.021445     -2.155306
  C      -1.913338      0.416396     -2.007713
  O      -2.614816      0.222274     -2.996454
  C      -2.451016      0.061896     -0.642612
  C      -3.808146     -0.266098     -0.585094
  C      -4.447812     -0.607515      0.609561
  O      -5.756546     -0.909922      0.585616
  C      -3.691660     -0.621679      1.818583
  C      -4.355207     -0.986535      3.076104
  O      -5.551726     -1.344239      3.077697
  C      -3.598908     -1.061921      4.404104
  C      -2.321277     -0.305135      1.755725
  C      -1.697142      0.032573      0.561169
  O      -0.356261      0.324133      0.531327
  C      -9.133458      9.424081      3.960017
  C      -9.242604      7.931482      3.803787
  O     -10.330577      7.445226      3.356506
  C      -8.151991      7.068543      4.180716
  C      -6.913561      7.557701      4.673884
  C      -5.905269      6.713862      5.088355
  O      -4.718681      7.200289      5.585942
  C      -6.073487      5.288949      5.043347
  C      -5.115427      4.360835      5.535080
  O      -5.438226      3.097697      5.640315
  C      -3.719229      4.666951      6.002907
  C      -7.303786      4.801178      4.515566
  C      -8.315247      5.647684      4.107414
  O      -9.501516      5.135192      3.667565
  C     -11.888198      6.103686      6.445000
  C     -10.493936      6.430297      6.917451
  O     -10.160177      7.599652      7.096433
  C      -9.511739      5.328253      7.214819
  C      -8.451130      5.662265      8.060299
  C      -7.465559      4.736808      8.407193
  O      -6.452185      5.135395      9.201220
  C      -7.534924      3.410575      7.881646
  C      -6.398284      2.514885      8.085597
  O      -5.459083      2.844682      8.848860
  C      -6.298081      1.180308      7.338410
  C      -8.617564      3.080167      7.046458
  C      -9.580150      4.011882      6.684247
  O     -10.517627      3.630198      5.753590
  H      -0.404063      1.868636     -1.469068
  H      -0.408673      1.338142     -3.195629
  H       0.228207      0.282802     -1.887651
  H      -4.379864     -0.252929     -1.513586
  H      -5.981049     -1.153756      1.543270
  H      -4.379470     -1.329688      5.142200
  H      -2.937908     -1.945914      4.309124
  H      -1.735133     -0.310150      2.674883
  H      -0.012531      0.249706      1.440134
  H      -9.053722      9.686590      5.026621
  H      -8.243939      9.823800      3.451175
  H     -10.031478      9.893963      3.544109
  H      -6.757653      8.636354      4.750222
  H      -4.772286      8.173041      5.597366
  H      -3.171115      5.269959      5.255556
  H      -3.751295      5.285106      6.920555
  H      -7.460723      3.724988      4.469063
  H     -10.050958      5.994349      3.427306
  H     -11.898549      6.093914      5.343676
  H     -12.234549      5.121251      6.785006
  H     -12.559188      6.905761      6.776605
  H      -8.385426      6.681682      8.441882
  H      -5.858364      4.316876      9.274068
  H      -6.863128      1.233578      6.402770
  H      -6.778276      0.402415      7.962882
  H      -8.686630      2.095454      6.585536
  H     -10.343214      4.165601      4.933094
  N      -4.380025      1.861261      3.743865
  H      -5.155510      2.446411      3.436695
  H      -3.900847      1.412416      2.968627
95
Coordinates from ORCA-job orca E -6661.174660576499
  N      -2.826098      0.080279      4.850272
  Mo     -3.847728      1.708008      5.650846
  N      -4.921192      0.809216      7.058441
  C      -4.278098      0.146406      8.197250
  C      -2.815664     -0.103271      7.883697
  N      -2.261903      1.074718      7.166264
  C      -1.062869      0.725740      6.374645
  C      -1.473777     -0.234984      5.267024
  C      -1.998648      2.222534      8.068352
  C      -1.944274      3.477443      7.215003
  N      -3.043029      3.396047      6.262194
  H      -0.727540     -0.154503      4.446805
  H      -1.409411     -1.281923      5.621035
  H      -0.668157      1.657104      5.948981
  H      -0.282977      0.287493      7.021749
  H      -2.065647      4.362488      7.861437
  H      -0.967675      3.592436      6.708158
  H      -2.851162      2.298574      8.755702
  H      -1.075115      2.055077      8.649875
  H      -4.774968     -0.816990      8.417300
  H      -4.384310      0.776058      9.096734
  H      -2.717698     -0.968169      7.218979
  H      -2.233066     -0.305792      8.798731
  C      -0.533547      1.034488     -2.148931
  C      -1.902502      0.421949     -2.006067
  O      -2.598943      0.222516     -2.997298
  C      -2.442691      0.064512     -0.642764
  C      -3.797297     -0.274582     -0.590117
  C      -4.439125     -0.619525      0.602320
  O      -5.745249     -0.932562      0.573098
  C      -3.687825     -0.625858      1.814488
  C      -4.353295     -0.994262      3.070119
  O      -5.546740     -1.362004      3.067271
  C      -3.602062     -1.065176      4.401551
  C      -2.319976     -0.297961      1.756630
  C      -1.693565      0.043036      0.564117
  O      -0.355086      0.345725      0.539687
  C      -9.134399      9.421912      3.954733
  C      -9.245712      7.928937      3.803581
  O     -10.335690      7.442221      3.361766
  C      -8.154846      7.065988      4.179143
  C      -6.914237      7.554844      4.667188
  C      -5.905549      6.710790      5.080164
  O      -4.716546      7.196883      5.572259
  C      -6.075533      5.286000      5.039322
  C      -5.117200      4.357774      5.530239
  O      -5.441091      3.095297      5.638823
  C      -3.719296      4.663225      5.993747
  C      -7.308300      4.798293      4.516840
  C      -8.319857      5.645216      4.109923
  O      -9.508411      5.133361      3.674948
  C     -11.886949      6.111973      6.460329
  C     -10.489777      6.437753      6.924614
  O     -10.153041      7.607020      7.098607
  C      -9.508463      5.334932      7.221463
  C      -8.444482      5.669006      8.062687
  C      -7.459400      4.742474      8.407996
  O      -6.443181      5.140293      9.198809
  C      -7.532260      3.415635      7.884448
  C      -6.396591      2.518465      8.086258
  O      -5.454626      2.847681      8.846426
  C      -6.300587      1.183073      7.340023
  C      -8.618174      3.085524      7.053483
  C      -9.581097      4.017757      6.693564
  O     -10.523697      3.636078      5.768127
  H      -0.403406      1.883389     -1.463396
  H      -0.397893      1.350109     -3.189211
  H       0.239022      0.300487     -1.876476
  H      -4.365279     -0.267343     -1.520968
  H      -5.972007     -1.176814      1.530012
  H      -4.386047     -1.330620      5.136769
  H      -2.942161     -1.950575      4.311443
  H      -1.737432     -0.296547      2.677997
  H      -0.014533      0.274997      1.449985
  H      -9.050787      9.688184      5.020093
  H      -8.246082      9.818747      3.441544
  H     -10.033209      9.891585      3.540282
  H      -6.756767      8.633483      4.740310
  H      -4.768725      8.169736      5.581747
  H      -3.171859      5.261510      5.242062
  H      -3.747548      5.285926      6.908391
  H      -7.466810      3.722235      4.473558
  H     -10.057496      5.993039      3.435338
  H     -11.902071      6.095863      5.359146
  H     -12.233933      5.132151      6.807282
  H     -12.554688      6.917310      6.790479
  H      -8.375873      6.689017      8.442144
  H      -5.850903      4.320685      9.271798
  H      -6.866938      1.236665      6.405235
  H      -6.781766      0.406877      7.965946
  H      -8.690275      2.100156      6.594382
  H     -10.350406      4.167786      4.945093
  N      -4.389831      1.852322      3.743233
  H      -5.166530      2.436490      3.437297
  H      -3.909757      1.406065      2.967074
95
Coordinates from ORCA-job orca E -6661.174661398898
  N      -2.828096      0.079083      4.849638
  Mo     -3.849664      1.706633      5.650690
  N      -4.922354      0.808599      7.059253
  C      -4.278790      0.145812      8.197794
  C      -2.816572     -0.103953      7.883478
  N      -2.263202      1.073860      7.165499
  C      -1.064480      0.724697      6.373479
  C      -1.475706     -0.236195      5.266106
  C      -1.999660      2.222003      8.067080
  C      -1.945341      3.476616      7.213258
  N      -3.043971      3.394783      6.260356
  H      -0.729487     -0.156103      4.445795
  H      -1.411373     -1.283116      5.620207
  H      -0.669719      1.655989      5.947703
  H      -0.284381      0.286372      7.020313
  H      -2.067088      4.361753      7.859520
  H      -0.968698      3.591803      6.706543
  H      -2.852069      2.298439      8.754529
  H      -1.076066      2.054645      8.648532
  H      -4.775551     -0.817553      8.418232
  H      -4.384440      0.775522      9.097291
  H      -2.719057     -0.968929      7.218790
  H      -2.233424     -0.306377      8.798188
  C      -0.528908      1.038034     -2.145878
  C      -1.898264      0.426007     -2.004571
  O      -2.594293      0.228428     -2.996471
  C      -2.439548      0.067275     -0.642032
  C      -3.793916     -0.273164     -0.591102
  C      -4.436722     -0.619708      0.600362
  O      -5.742511     -0.934159      0.569448
  C      -3.686789     -0.626114      1.813351
  C      -4.353340     -0.996223      3.067946
  O      -5.546240     -1.365587      3.063273
  C      -3.603982     -1.066256      4.400517
  C      -2.319264     -0.296716      1.757237
  C      -1.691774      0.045672      0.565710
  O      -0.353607      0.349832      0.543170
  C      -9.134079      9.420835      3.950946
  C      -9.246845      7.927770      3.802278
  O     -10.337734      7.441489      3.362138
  C      -8.156254      7.064390      4.177669
  C      -6.914784      7.553206      4.663521
  C      -5.906206      6.709220      5.076750
  O      -4.716248      7.195340      5.566547
  C      -6.077126      5.284472      5.038418
  C      -5.118646      4.356410      5.529461
  O      -5.442883      3.094138      5.639685
  C      -3.719957      4.661811      5.990692
  C      -7.310699      4.796653      4.517964
  C      -8.322319      5.643513      4.110835
  O      -9.511429      5.131692      3.677737
  C     -11.886423      6.114200      6.466853
  C     -10.487665      6.439876      6.926590
  O     -10.148964      7.609234      7.095977
  C      -9.506780      5.336758      7.223714
  C      -8.441460      5.671119      8.063020
  C      -7.456633      4.744136      8.407977
  O      -6.438922      5.141856      9.196892
  C      -7.531136      3.416847      7.885833
  C      -6.396051      2.519040      8.087441
  O      -5.453390      2.848083      8.846887
  C      -6.301318      1.183260      7.341812
  C      -8.618481      3.086620      7.056732
  C      -9.581295      4.019068      6.697385
  O     -10.525946      3.637352      5.773954
  H      -0.399283      1.886740     -1.459979
  H      -0.392049      1.353967     -3.185895
  H       0.243138      0.303794     -1.872611
  H      -4.360846     -0.265711     -1.522592
  H      -5.970004     -1.179385      1.525912
  H      -4.389316     -1.330671      5.134686
  H      -2.944441     -1.952099      4.312305
  H      -1.737799     -0.295387      2.679288
  H      -0.013804      0.277877      1.453646
  H      -9.049374      9.689255      5.015662
  H      -8.245699      9.815753      3.436335
  H     -10.032701      9.890700      3.536290
  H      -6.756588      8.631863      4.734824
  H      -4.767548      8.168251      5.574291
  H      -3.173186      5.258686      5.237389
  H      -3.746871      5.285978      6.904362
  H      -7.469740      3.720591      4.476583
  H     -10.060380      5.991460      3.437332
  H     -11.904408      6.094523      5.365799
  H     -12.233416      5.135812      6.817816
  H     -12.552504      6.921220      6.796232
  H      -8.371374      6.691536      8.441123
  H      -5.847109      4.321851      9.269605
  H      -6.868494      1.236370      6.407532
  H      -6.782204      0.407646      7.968748
  H      -8.691850      2.100808      6.598775
  H     -10.353225      4.167713      4.949969
  N      -4.394314      1.849688      3.743722
  H      -5.171519      2.433446      3.438366
  H      -3.914960      1.403243      2.967221
