95
Coordinates from ORCA-job orca E -6660.954540110033
  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      -1.622086      2.888814      3.101828
  H      -2.768342      4.090414      3.008708
95
Coordinates from ORCA-job orca E -6660.972130898786
  N      -2.824406      0.574103      4.462607
  Mo     -3.520891      2.316863      5.132645
  N      -4.775578      1.502055      6.370649
  C      -4.301763      0.732278      7.517381
  C      -2.829704      0.370662      7.326119
  N      -2.115860      1.497474      6.667360
  C      -0.925395      1.002950      5.942566
  C      -1.400221      0.330976      4.626041
  C      -1.723367      2.509714      7.678449
  C      -1.730356      3.859144      6.974096
  N      -2.956111      3.861716      6.217092
  H      -0.830073      0.753645      3.782393
  H      -1.184792     -0.746397      4.668900
  H      -0.279097      1.858123      5.718456
  H      -0.366120      0.296570      6.573668
  H      -1.701962      4.677928      7.706062
  H      -0.854350      3.970299      6.306746
  H      -2.494903      2.537321      8.455994
  H      -0.753030      2.258174      8.128885
  H      -4.890987     -0.193866      7.642693
  H      -4.435622      1.326289      8.435003
  H      -2.748250     -0.513458      6.688140
  H      -2.354850      0.140788      8.290700
  C       0.097802     -1.732547     -2.147231
  C      -1.383914     -1.477008     -2.060395
  O      -2.060848     -1.396272     -3.079954
  C      -2.041952     -1.314582     -0.725109
  C      -3.415353     -1.054335     -0.750460
  C      -4.176727     -0.881757      0.400405
  O      -5.493110     -0.640463      0.267723
  C      -3.539483     -0.944752      1.674754
  C      -4.319283     -0.723682      2.880211
  O      -5.563820     -0.612895      2.835792
  C      -3.667832     -0.595107      4.265309
  C      -2.160388     -1.225210      1.697963
  C      -1.410078     -1.410397      0.545503
  O      -0.078848     -1.687263      0.635340
  C      -9.886758      9.285510      5.896348
  C      -9.701713      8.037067      5.079808
  O     -10.640446      7.623838      4.365866
  C      -8.442824      7.301952      5.142630
  C      -7.407152      7.649118      6.030946
  C      -6.239135      6.914872      6.127102
  O      -5.267377      7.235369      7.025103
  C      -6.052777      5.767667      5.304074
  C      -4.935636      4.869741      5.423019
  O      -4.898065      3.799481      4.733751
  C      -3.752660      5.058922      6.316393
  C      -7.074776      5.437830      4.393470
  C      -8.250379      6.162640      4.306148
  O      -9.200571      5.737260      3.452645
  C     -12.603743      5.717758      6.514458
  C     -11.320652      6.136681      7.198122
  O     -11.274915      7.217964      7.783651
  C     -10.124866      5.251561      7.182503
  C      -9.095260      5.618592      8.061354
  C      -7.908042      4.912216      8.173557
  O      -6.962032      5.381186      9.011824
  C      -7.712164      3.743915      7.378009
  C      -6.433240      3.045312      7.435431
  O      -5.536989      3.401756      8.225059
  C      -6.182237      1.851447      6.502791
  C      -8.746719      3.369391      6.506144
  C      -9.922923      4.098059      6.379581
  O     -10.786157      3.644518      5.430359
  H       0.653414     -0.925124     -1.658223
  H       0.384364     -1.800514     -3.200304
  H       0.352794     -2.664029     -1.630385
  H      -3.907472     -0.993662     -1.718674
  H      -5.866021     -0.618066      1.195025
  H      -4.526497     -0.542505      4.953098
  H      -3.115426     -1.528079      4.472272
  H      -1.659559     -1.319761      2.657684
  H       0.182557     -1.726071      1.571375
  H     -10.024700      8.993188      6.949124
  H      -9.026719      9.957305      5.813927
  H     -10.793003      9.796696      5.560982
  H      -7.547027      8.496193      6.699610
  H      -5.573590      7.969334      7.586498
  H      -3.198364      5.965334      6.003175
  H      -4.074764      5.230029      7.356492
  H      -6.962385      4.558045      3.765817
  H      -9.995856      6.324990      3.613040
  H     -12.524124      5.924405      5.436461
  H     -12.845786      4.663268      6.688366
  H     -13.414762      6.342341      6.900800
  H      -9.237751      6.505621      8.674033
  H      -6.193577      4.747276      8.936259
  H      -6.583416      2.094855      5.512597
  H      -6.769918      1.006275      6.906404
  H      -8.648787      2.497542      5.864837
  H     -11.430540      4.333106      5.190785
  N      -2.455067      3.183398      3.522240
  H      -1.600167      2.816559      3.097804
  H      -2.716007      4.038950      3.027914
95
Coordinates from ORCA-job orca E -6660.980659152186
  N      -2.799218      0.515285      4.509626
  Mo     -3.476451      2.277467      5.174321
  N      -4.770162      1.484302      6.433650
  C      -4.280880      0.722018      7.592574
  C      -2.813814      0.345217      7.394161
  N      -2.078564      1.464425      6.716816
  C      -0.889966      0.947774      5.978645
  C      -1.373518      0.260186      4.671449
  C      -1.675315      2.498448      7.718722
  C      -1.676342      3.837338      6.999205
  N      -2.906225      3.844388      6.243051
  H      -0.797906      0.665711      3.821133
  H      -1.174417     -0.822639      4.717683
  H      -0.237877      1.799559      5.746919
  H      -0.332767      0.247082      6.621661
  H      -1.640470      4.666566      7.723820
  H      -0.796726      3.935503      6.330335
  H      -2.445888      2.531349      8.500582
  H      -0.704419      2.238025      8.169747
  H      -4.873717     -0.200872      7.736014
  H      -4.405142      1.330825      8.505258
  H      -2.735308     -0.545902      6.761345
  H      -2.330151      0.121597      8.358490
  C       0.043716     -1.665505     -2.184573
  C      -1.418198     -1.312002     -2.076736
  O      -2.089101     -1.125084     -3.088038
  C      -2.082805     -1.177156     -0.722942
  C      -3.434922     -0.822502     -0.742496
  C      -4.192414     -0.662396      0.421018
  O      -5.488024     -0.326446      0.306186
  C      -3.563396     -0.842032      1.690407
  C      -4.340858     -0.638530      2.907174
  O      -5.571732     -0.438416      2.860438
  C      -3.689147     -0.617866      4.302210
  C      -2.204287     -1.215923      1.707513
  C      -1.461821     -1.387604      0.542124
  O      -0.145215     -1.761139      0.598412
  C      -9.944176      9.204808      5.692379
  C      -9.713640      7.941099      4.914985
  O     -10.630340      7.471894      4.206195
  C      -8.430771      7.222405      5.010031
  C      -7.418858      7.611938      5.905183
  C      -6.237835      6.890203      6.041442
  O      -5.283753      7.232860      6.951773
  C      -6.025849      5.726895      5.241215
  C      -4.894470      4.842238      5.399022
  O      -4.854929      3.748287      4.731855
  C      -3.718627      5.041010      6.300349
  C      -7.026485      5.352168      4.322750
  C      -8.217604      6.060118      4.202861
  O      -9.149153      5.605161      3.348388
  C     -12.611135      5.739329      6.581354
  C     -11.329607      6.163952      7.263807
  O     -11.282879      7.242876      7.853995
  C     -10.117958      5.275568      7.246268
  C      -9.084497      5.645289      8.118085
  C      -7.896159      4.927716      8.219792
  O      -6.930665      5.391399      9.042246
  C      -7.721745      3.749927      7.426993
  C      -6.441401      3.041368      7.488047
  O      -5.542774      3.416492      8.271694
  C      -6.182192      1.842187      6.564837
  C      -8.759603      3.375399      6.554550
  C      -9.931087      4.121393      6.431879
  O     -10.809326      3.680029      5.484641
  H       0.662335     -0.929151     -1.646821
  H       0.321993     -1.690849     -3.245438
  H       0.239418     -2.644890     -1.719120
  H      -3.913693     -0.674366     -1.713892
  H      -5.849124     -0.323112      1.245473
  H      -4.546441     -0.549169      4.989379
  H      -3.171056     -1.578074      4.488787
  H      -1.712654     -1.400487      2.666729
  H       0.113039     -1.873908      1.531997
  H     -10.087702      8.933043      6.754838
  H      -9.098585      9.904207      5.607671
  H     -10.863749      9.681230      5.331844
  H      -7.582153      8.478838      6.552624
  H      -5.609770      7.974224      7.498633
  H      -3.166173      5.947610      5.972419
  H      -4.056448      5.244659      7.332538
  H      -6.888163      4.454381      3.717241
  H      -9.950360      6.209675      3.483022
  H     -12.536008      5.945652      5.496416
  H     -12.845671      4.675738      6.746330
  H     -13.430202      6.359313      6.967685
  H      -9.220669      6.539673      8.730766
  H      -6.177917      4.729718      8.963800
  H      -6.590989      2.072846      5.571643
  H      -6.766406      0.993283      6.971082
  H      -8.666149      2.498181      5.910029
  H     -11.440340      4.388153      5.249476
  N      -2.455551      3.089269      3.540192
  H      -1.641346      2.690286      3.072229
  H      -2.718386      3.944577      3.051585
95
Coordinates from ORCA-job orca E -6660.985739134260
  N      -2.799477      0.476384      4.553820
  Mo     -3.445213      2.261795      5.204103
  N      -4.755182      1.503034      6.499467
  C      -4.246475      0.763172      7.666065
  C      -2.789034      0.364136      7.449599
  N      -2.041275      1.459374      6.740648
  C      -0.871675      0.910187      5.989872
  C      -1.379305      0.202106      4.704752
  C      -1.609888      2.510738      7.716687
  C      -1.603897      3.834663      6.974391
  N      -2.843150      3.848064      6.236710
  H      -0.805561      0.580105      3.840683
  H      -1.201636     -0.884270      4.763973
  H      -0.213367      1.750647      5.737616
  H      -0.315549      0.218322      6.642896
  H      -1.545972      4.675982      7.683665
  H      -0.731780      3.910166      6.293571
  H      -2.368434      2.559342      8.508919
  H      -0.637614      2.239223      8.157197
  H      -4.842762     -0.152227      7.838677
  H      -4.351998      1.392022      8.567728
  H      -2.725439     -0.536732      6.829282
  H      -2.289404      0.152218      8.408209
  C      -0.045342     -1.620242     -2.160753
  C      -1.481494     -1.183015     -2.044257
  O      -2.133696     -0.908418     -3.046105
  C      -2.150822     -1.067911     -0.685111
  C      -3.476480     -0.632083     -0.695878
  C      -4.228072     -0.480370      0.474743
  O      -5.500865     -0.065214      0.377653
  C      -3.612157     -0.756242      1.732702
  C      -4.381581     -0.562027      2.957315
  O      -5.596316     -0.279388      2.919279
  C      -3.725039     -0.624823      4.348613
  C      -2.278003     -1.211270      1.738962
  C      -1.546734     -1.373707      0.566607
  O      -0.253276     -1.828767      0.592668
  C      -9.863890      9.199471      5.758741
  C      -9.650540      7.940626      4.974262
  O     -10.587346      7.460536      4.299924
  C      -8.357765      7.225080      5.026443
  C      -7.321631      7.634025      5.880410
  C      -6.138168      6.910698      5.995438
  O      -5.156387      7.257465      6.873369
  C      -5.957106      5.733802      5.209664
  C      -4.829931      4.843592      5.373969
  O      -4.819564      3.728440      4.737499
  C      -3.645832      5.049163      6.259013
  C      -6.979678      5.342295      4.323601
  C      -8.176188      6.049116      4.230378
  O      -9.140733      5.577329      3.427614
  C     -12.680874      5.565544      6.450672
  C     -11.406861      6.062336      7.093147
  O     -11.373098      7.183162      7.596558
  C     -10.171849      5.198027      7.137357
  C      -9.155221      5.644983      7.988543
  C      -7.949968      4.960873      8.135220
  O      -6.996985      5.497048      8.924793
  C      -7.749058      3.743056      7.410724
  C      -6.451479      3.064504      7.501677
  O      -5.558030      3.488166      8.267439
  C      -6.167081      1.846744      6.618863
  C      -8.772939      3.292294      6.558155
  C      -9.959464      4.003933      6.389420
  O     -10.821632      3.492022      5.461384
  H       0.614718     -0.952839     -1.584651
  H       0.237001     -1.613141     -3.219986
  H       0.089014     -2.628471     -1.738159
  H      -3.937464     -0.412216     -1.661128
  H      -5.856537     -0.079835      1.321712
  H      -4.572854     -0.540243      5.045269
  H      -3.234304     -1.602202      4.513999
  H      -1.801237     -1.469418      2.687987
  H      -0.003957     -2.003641      1.518510
  H      -9.970346      8.925696      6.824510
  H      -9.026404      9.904294      5.652564
  H     -10.797350      9.670234      5.429687
  H      -7.463868      8.511926      6.516452
  H      -5.463965      8.004954      7.420927
  H      -3.089973      5.943534      5.902746
  H      -3.977463      5.293079      7.285200
  H      -6.860973      4.431412      3.736283
  H      -9.935948      6.187004      3.597417
  H     -12.613849      5.685332      5.352170
  H     -12.894876      4.513293      6.692305
  H     -13.510815      6.198562      6.787906
  H      -9.315996      6.570820      8.544262
  H      -6.233461      4.838386      8.887255
  H      -6.580730      2.036959      5.619170
  H      -6.738168      0.996841      7.042096
  H      -8.651989      2.385608      5.962994
  H     -11.454643      4.176618      5.176157
  N      -2.491303      3.000184      3.527624
  H      -1.729248      2.558469      3.011604
  H      -2.759634      3.855106      3.039550
95
Coordinates from ORCA-job orca E -6660.989467252673
  N      -2.803454      0.435128      4.576627
  Mo     -3.446682      2.232426      5.209843
  N      -4.777211      1.492646      6.518016
  C      -4.261525      0.767875      7.687494
  C      -2.809270      0.358579      7.470446
  N      -2.051672      1.441360      6.754119
  C      -0.885639      0.877491      6.010723
  C      -1.390533      0.153093      4.737110
  C      -1.617769      2.503778      7.716965
  C      -1.608239      3.820568      6.963434
  N      -2.844691      3.832643      6.224775
  H      -0.808246      0.512976      3.870731
  H      -1.223895     -0.934350      4.808992
  H      -0.225192      1.713646      5.752831
  H      -0.333840      0.195449      6.676945
  H      -1.548471      4.667131      7.665774
  H      -0.734376      3.889979      6.285618
  H      -2.376088      2.555469      8.508164
  H      -0.648086      2.229745      8.159822
  H      -4.859307     -0.143402      7.875636
  H      -4.360310      1.407645      8.582002
  H      -2.747062     -0.545141      6.855104
  H      -2.307760      0.151775      8.428803
  C      -0.025624     -1.563519     -2.137236
  C      -1.437054     -1.059747     -2.016174
  O      -2.060612     -0.706878     -3.009898
  C      -2.122862     -0.970125     -0.661333
  C      -3.422295     -0.467575     -0.676909
  C      -4.185744     -0.328928      0.487426
  O      -5.434446      0.152144      0.389892
  C      -3.604685     -0.689722      1.739362
  C      -4.383807     -0.511061      2.959722
  O      -5.582693     -0.163745      2.919577
  C      -3.742977     -0.646867      4.351109
  C      -2.295609     -1.210994      1.749853
  C      -1.556181     -1.359934      0.583730
  O      -0.288193     -1.881164      0.607190
  C      -9.871280      9.144055      5.602320
  C      -9.637750      7.892333      4.817217
  O     -10.557884      7.409760      4.122566
  C      -8.344783      7.179455      4.895537
  C      -7.323661      7.606260      5.756232
  C      -6.141957      6.887397      5.899932
  O      -5.174585      7.249134      6.786126
  C      -5.950657      5.700085      5.134357
  C      -4.825637      4.812070      5.327131
  O      -4.823353      3.685296      4.713035
  C      -3.647776      5.029516      6.215716
  C      -6.959497      5.290240      4.241743
  C      -8.157138      5.990721      4.122932
  O      -9.117177      5.500883      3.326552
  C     -12.679508      5.590846      6.621175
  C     -11.389541      6.078115      7.233605
  O     -11.337654      7.191945      7.746159
  C     -10.155729      5.207665      7.241888
  C      -9.122187      5.642204      8.075895
  C      -7.918080      4.949698      8.188948
  O      -6.939018      5.471664      8.954498
  C      -7.745306      3.737286      7.453954
  C      -6.452630      3.049211      7.521548
  O      -5.548804      3.466268      8.277799
  C      -6.181096      1.835612      6.634218
  C      -8.785287      3.301032      6.614781
  C      -9.965914      4.025405      6.472992
  O     -10.846467      3.538118      5.549661
  H       0.659593     -0.961631     -1.523421
  H       0.269104     -1.521611     -3.191157
  H       0.053694     -2.593109     -1.759787
  H      -3.851486     -0.183913     -1.638315
  H      -5.803220      0.119394      1.329571
  H      -4.590908     -0.563634      5.048483
  H      -3.266928     -1.633009      4.494998
  H      -1.849709     -1.533174      2.692322
  H      -0.067288     -2.110220      1.527933
  H     -10.002517      8.863178      6.661449
  H      -9.033480      9.849468      5.524696
  H     -10.796703      9.615305      5.255767
  H      -7.473897      8.494585      6.372219
  H      -5.493162      8.001533      7.318358
  H      -3.091626      5.919219      5.848891
  H      -3.989109      5.298587      7.232479
  H      -6.831395      4.370214      3.674540
  H      -9.916512      6.109484      3.488757
  H     -12.641890      5.716842      5.523325
  H     -12.887759      4.537467      6.854469
  H     -13.499048      6.222392      6.982124
  H      -9.266768      6.562486      8.641922
  H      -6.185836      4.801179      8.893251
  H      -6.599139      2.023306      5.636179
  H      -6.753504      0.985099      7.055296
  H      -8.678472      2.402855      6.008118
  H     -11.463713      4.239617      5.276725
  N      -2.553866      2.914940      3.506108
  H      -1.842696      2.437444      2.950098
  H      -2.829189      3.770649      3.021480
95
Coordinates from ORCA-job orca E -6660.993077000523
  N      -2.807606      0.396024      4.613325
  Mo     -3.440208      2.207251      5.229948
  N      -4.771772      1.489226      6.565716
  C      -4.238901      0.790133      7.739057
  C      -2.794185      0.367013      7.508851
  N      -2.033857      1.430469      6.768718
  C      -0.881215      0.845819      6.023433
  C      -1.400031      0.102195      4.769235
  C      -1.581025      2.506269      7.706714
  C      -1.573768      3.811461      6.933844
  N      -2.818586      3.820638      6.210641
  H      -0.816479      0.439062      3.893329
  H      -1.244890     -0.986092      4.857582
  H      -0.218490      1.674369      5.747039
  H      -0.326511      0.174299      6.698240
  H      -1.500343      4.666658      7.624654
  H      -0.706682      3.869108      6.246867
  H      -2.328347      2.570990      8.507204
  H      -0.607930      2.231269      8.141299
  H      -4.836006     -0.115951      7.956024
  H      -4.321167      1.446325      8.623183
  H      -2.744951     -0.544819      6.904658
  H      -2.281444      0.169476      8.463589
  C      -0.063180     -1.507361     -2.130147
  C      -1.447361     -0.940891     -1.984733
  O      -2.049214     -0.511817     -2.961281
  C      -2.135464     -0.878808     -0.628556
  C      -3.407870     -0.312421     -0.631407
  C      -4.173027     -0.187302      0.532854
  O      -5.395882      0.358435      0.449175
  C      -3.620326     -0.629745      1.770325
  C      -4.398371     -0.465719      2.992652
  O      -5.579062     -0.055909      2.963972
  C      -3.762109     -0.668707      4.375603
  C      -2.338105     -1.214076      1.768849
  C      -1.598589     -1.349462      0.602571
  O      -0.358436     -1.933130      0.614872
  C      -9.839431      9.131565      5.603799
  C      -9.626374      7.858124      4.849077
  O     -10.570030      7.349491      4.206418
  C      -8.328702      7.152986      4.904804
  C      -7.285388      7.604092      5.725823
  C      -6.101770      6.887812      5.860152
  O      -5.110393      7.279237      6.705948
  C      -5.933444      5.677563      5.125960
  C      -4.807908      4.787520      5.317647
  O      -4.827468      3.648986      4.728443
  C      -3.616232      5.017816      6.182931
  C      -6.964160      5.245912      4.269842
  C      -8.162344      5.945422      4.158905
  O      -9.138528      5.445814      3.388498
  C     -12.689853      5.535703      6.562526
  C     -11.401217      6.052796      7.150560
  O     -11.354279      7.182198      7.627500
  C     -10.161827      5.189918      7.180647
  C      -9.128430      5.658087      7.995752
  C      -7.921390      4.974380      8.128716
  O      -6.942685      5.521299      8.876343
  C      -7.747519      3.739903      7.435010
  C      -6.453301      3.059245      7.522437
  O      -5.548522      3.510929      8.257000
  C      -6.173090      1.821480      6.671460
  C      -8.786952      3.271137      6.613148
  C      -9.970449      3.984769      6.451364
  O     -10.859023      3.458742      5.557010
  H       0.649721     -0.971919     -1.488267
  H       0.235001     -1.429920     -3.181013
  H      -0.034587     -2.555313     -1.801197
  H      -3.813304      0.033751     -1.582323
  H      -5.772084      0.307824      1.385343
  H      -4.603270     -0.589540      5.082975
  H      -3.297010     -1.662468      4.491798
  H      -1.917022     -1.596937      2.699683
  H      -0.160414     -2.213575      1.526903
  H      -9.931744      8.883316      6.674689
  H      -9.009283      9.838308      5.478833
  H     -10.778961      9.588538      5.277181
  H      -7.416955      8.510780      6.317765
  H      -5.415552      8.047253      7.223684
  H      -3.064494      5.900554      5.792713
  H      -3.945279      5.313997      7.196599
  H      -6.850075      4.311660      3.723643
  H      -9.921690      6.081031      3.527754
  H     -12.661731      5.627162      5.461408
  H     -12.883980      4.486871      6.824349
  H     -13.513578      6.169931      6.908176
  H      -9.276779      6.595088      8.532048
  H      -6.191179      4.846102      8.842894
  H      -6.593599      1.975374      5.668298
  H      -6.743421      0.977798      7.111113
  H      -8.676116      2.353400      6.037909
  H     -11.483163      4.146042      5.264517
  N      -2.640558      2.820290      3.479985
  H      -1.996643      2.300955      2.881794
  H      -2.930038      3.672052      2.996804
95
Coordinates from ORCA-job orca E -6660.996659067308
  N      -2.810517      0.363883      4.641926
  Mo     -3.444207      2.184831      5.238818
  N      -4.769242      1.481200      6.593254
  C      -4.225425      0.807958      7.772193
  C      -2.784922      0.375451      7.535681
  N      -2.025100      1.423522      6.776818
  C      -0.880137      0.824189      6.035642
  C      -1.406817      0.061347      4.797325
  C      -1.560347      2.511408      7.692375
  C      -1.556657      3.805518      6.899749
  N      -2.808185      3.807235      6.185941
  H      -0.820159      0.377705      3.914707
  H      -1.258151     -1.026501      4.904059
  H      -0.216732      1.646610      5.741714
  H      -0.321315      0.163525      6.718096
  H      -1.475662      4.668810      7.579868
  H      -0.694190      3.854825      6.207019
  H      -2.299291      2.590520      8.499576
  H      -0.583708      2.241867      8.122632
  H      -4.820419     -0.093580      8.015625
  H      -4.296166      1.479374      8.646477
  H      -2.746777     -0.544022      6.942410
  H      -2.266513      0.185787      8.489419
  C      -0.071975     -1.478089     -2.104414
  C      -1.431637     -0.855145     -1.958608
  O      -2.000237     -0.366789     -2.928057
  C      -2.128849     -0.812617     -0.609724
  C      -3.378445     -0.194925     -0.598435
  C      -4.145690     -0.082580      0.564791
  O      -5.345630      0.515557      0.496120
  C      -3.621201     -0.591101      1.787818
  C      -4.399652     -0.438349      3.010071
  O      -5.563332      0.020564      2.989528
  C      -3.770268     -0.692109      4.385435
  C      -2.362571     -1.225558      1.772430
  C      -1.620937     -1.348706      0.606025
  O      -0.406068     -1.981513      0.605599
  C      -9.804969      9.151308      5.620164
  C      -9.612223      7.867739      4.874993
  O     -10.568998      7.370770      4.242172
  C      -8.321841      7.152322      4.922533
  C      -7.255430      7.611343      5.711592
  C      -6.073422      6.890693      5.832631
  O      -5.055207      7.303371      6.636013
  C      -5.930216      5.661963      5.124988
  C      -4.807131      4.765363      5.308990
  O      -4.846344      3.618274      4.742611
  C      -3.599442      5.007940      6.147798
  C      -6.983944      5.222039      4.301984
  C      -8.177523      5.928237      4.199293
  O      -9.171083      5.420302      3.456259
  C     -12.707236      5.480995      6.539695
  C     -11.414820      6.022918      7.096795
  O     -11.370492      7.165940      7.542038
  C     -10.172000      5.168847      7.136170
  C      -9.135938      5.666466      7.931322
  C      -7.923389      4.996680      8.077247
  O      -6.951347      5.571245      8.811666
  C      -7.741803      3.745510      7.414202
  C      -6.446351      3.069156      7.510478
  O      -5.535462      3.534651      8.228799
  C      -6.168226      1.809717      6.688149
  C      -8.783768      3.248585      6.611741
  C      -9.975187      3.945532      6.440252
  O     -10.871040      3.380347      5.577481
  H       0.653418     -0.997257     -1.433480
  H       0.246884     -1.379609     -3.147281
  H      -0.096242     -2.536732     -1.810233
  H      -3.763028      0.202616     -1.537802
  H      -5.730214      0.448011      1.426303
  H      -4.606961     -0.626127      5.100536
  H      -3.306976     -1.688790      4.473952
  H      -1.964532     -1.657005      2.692097
  H      -0.225945     -2.306146      1.506409
  H      -9.897184      8.915098      6.693478
  H      -8.965885      9.845782      5.487169
  H     -10.739503      9.618929      5.294038
  H      -7.363686      8.534821      6.281896
  H      -5.341820      8.086553      7.141666
  H      -3.052487      5.884280      5.737064
  H      -3.913402      5.324319      7.160924
  H      -6.888928      4.275602      3.772705
  H      -9.946097      6.063798      3.592444
  H     -12.694085      5.543371      5.436301
  H     -12.888431      4.437334      6.829713
  H     -13.531325      6.118411      6.878615
  H      -9.289512      6.615221      8.445139
  H      -6.191829      4.904747      8.796274
  H      -6.587836      1.941913      5.680900
  H      -6.744490      0.977031      7.142230
  H      -8.668686      2.315374      6.062275
  H     -11.511249      4.047258      5.272928
  N      -2.742101      2.731426      3.440516
  H      -2.167672      2.170266      2.810874
  H      -3.048116      3.576753      2.956073
95
Coordinates from ORCA-job orca E -6661.000178132617
  N      -2.816459      0.324716      4.667959
  Mo     -3.461479      2.153680      5.238492
  N      -4.771310      1.461169      6.608608
  C      -4.218767      0.816008      7.795830
  C      -2.779490      0.378902      7.557550
  N      -2.024156      1.413620      6.779550
  C      -0.883346      0.802404      6.044860
  C      -1.415134      0.016968      4.822390
  C      -1.551817      2.516965      7.669998
  C      -1.554228      3.796715      6.851973
  N      -2.812773      3.784817      6.144745
  H      -0.826754      0.313075      3.933209
  H      -1.269083     -1.069155      4.950559
  H      -0.221702      1.619267      5.730911
  H      -0.318135      0.154728      6.734468
  H      -1.469788      4.670825      7.517769
  H      -0.696353      3.837113      6.154268
  H      -2.283038      2.613911      8.482527
  H      -0.570760      2.260018      8.098037
  H      -4.809312     -0.081184      8.066080
  H      -4.281724      1.503586      8.658838
  H      -2.750107     -0.549182      6.977167
  H      -2.258218      0.199371      8.511930
  C      -0.041738     -1.421243     -2.066726
  C      -1.386152     -0.763234     -1.924114
  O      -1.924007     -0.227411     -2.887291
  C      -2.097050     -0.747940     -0.587085
  C      -3.332973     -0.099541     -0.564588
  C      -4.109592     -0.008808      0.593087
  O      -5.294549      0.621521      0.532506
  C      -3.612694     -0.570254      1.804402
  C      -4.396433     -0.436115      3.025404
  O      -5.547588      0.054298      3.012487
  C      -3.773867     -0.729520      4.393322
  C      -2.368938     -1.234281      1.777720
  C      -1.617049     -1.337538      0.614564
  O      -0.419788     -2.000717      0.607838
  C      -9.782174      9.178786      5.615529
  C      -9.607048      7.883737      4.882403
  O     -10.577057      7.389288      4.268249
  C      -8.325123      7.158897      4.925783
  C      -7.235416      7.620915      5.683499
  C      -6.058439      6.890570      5.794748
  O      -5.016030      7.316091      6.560470
  C      -5.941286      5.643347      5.116574
  C      -4.823458      4.737836      5.292845
  O      -4.882654      3.581972      4.752842
  C      -3.596527      4.993050      6.099829
  C      -7.018305      5.199343      4.326542
  C      -8.203590      5.917632      4.228089
  O      -9.213805      5.405053      3.509261
  C     -12.714465      5.476535      6.564337
  C     -11.409480      6.022532      7.089730
  O     -11.354421      7.174600      7.511896
  C     -10.173580      5.163516      7.124370
  C      -9.123120      5.671290      7.896970
  C      -7.911961      5.001004      8.041481
  O      -6.930928      5.583665      8.758131
  C      -7.739247      3.738623      7.398651
  C      -6.445662      3.062681      7.495550
  O      -5.527429      3.541638      8.195154
  C      -6.170968      1.784610      6.695646
  C      -8.792901      3.231407      6.618029
  C      -9.986215      3.926043      6.449895
  O     -10.894340      3.343094      5.613134
  H       0.684107     -0.982205     -1.367574
  H       0.300599     -1.300946     -3.099726
  H      -0.104261     -2.487530     -1.806349
  H      -3.698634      0.340021     -1.492842
  H      -5.693501      0.531593      1.453068
  H      -4.606655     -0.683975      5.115136
  H      -3.303784     -1.724556      4.454100
  H      -1.991724     -1.704154      2.687516
  H      -0.257836     -2.364359      1.496729
  H      -9.868734      8.956590      6.692188
  H      -8.938118      9.864536      5.468219
  H     -10.715015      9.651384      5.291579
  H      -7.320164      8.559604      6.232962
  H      -5.282244      8.115191      7.051909
  H      -3.053538      5.859891      5.666014
  H      -3.890071      5.328722      7.113456
  H      -6.945033      4.240743      3.815268
  H      -9.977566      6.060907      3.632513
  H     -12.718452      5.519069      5.459615
  H     -12.895253      4.439114      6.877098
  H     -13.529514      6.124565      6.905120
  H      -9.266995      6.629151      8.396627
  H      -6.173151      4.918551      8.745535
  H      -6.591577      1.898506      5.686160
  H      -6.750273      0.962997      7.165220
  H      -8.685648      2.287970      6.083984
  H     -11.541921      4.000709      5.304332
  N      -2.874988      2.627082      3.384943
  H      -2.371235      2.021954      2.736280
  H      -3.206726      3.459170      2.893720
95
Coordinates from ORCA-job orca E -6661.003312854051
  N      -2.806451      0.290754      4.704032
  Mo     -3.472810      2.125020      5.246922
  N      -4.770481      1.435843      6.619946
  C      -4.216666      0.812940      7.818586
  C      -2.775064      0.376674      7.588110
  N      -2.022617      1.404917      6.799928
  C      -0.878373      0.788083      6.075483
  C      -1.406590     -0.018418      4.863986
  C      -1.553706      2.523822      7.671869
  C      -1.559515      3.789912      6.831000
  N      -2.819437      3.762821      6.118404
  H      -0.813594      0.260279      3.971993
  H      -1.262099     -1.102355      5.012967
  H      -0.219729      1.602093      5.747230
  H      -0.308894      0.152732      6.772817
  H      -1.481318      4.674356      7.483770
  H      -0.700920      3.824538      6.135276
  H      -2.284021      2.634509      8.483670
  H      -0.570557      2.282588      8.104579
  H      -4.803661     -0.080685      8.107179
  H      -4.279759      1.514077      8.670957
  H      -2.746620     -0.557351      7.016843
  H      -2.257557      0.205282      8.546091
  C      -0.040859     -1.356005     -2.080440
  C      -1.371515     -0.673236     -1.912905
  O      -1.896837     -0.091464     -2.857080
  C      -2.080348     -0.689819     -0.577801
  C      -3.303944     -0.016528     -0.531393
  C      -4.079551      0.052250      0.627621
  O      -5.250357      0.711960      0.588316
  C      -3.597149     -0.557365      1.821666
  C      -4.378886     -0.440570      3.047376
  O      -5.521022      0.068613      3.044839
  C      -3.756914     -0.765825      4.407093
  C      -2.367280     -1.245809      1.771637
  C      -1.615214     -1.329002      0.604961
  O      -0.433761     -2.018375      0.581121
  C      -9.774397      9.198174      5.558062
  C      -9.604454      7.895336      4.835403
  O     -10.572016      7.408864      4.211897
  C      -8.330248      7.160029      4.895083
  C      -7.233743      7.623158      5.643404
  C      -6.060960      6.886156      5.761876
  O      -5.010330      7.319318      6.512701
  C      -5.953315      5.626285      5.107011
  C      -4.839773      4.715590      5.285630
  O      -4.913010      3.552323      4.769049
  C      -3.598501      4.979355      6.069103
  C      -7.037927      5.177635      4.329864
  C      -8.216198      5.905181      4.218676
  O      -9.227926      5.386816      3.505163
  C     -12.704567      5.487290      6.591956
  C     -11.393775      6.030207      7.108725
  O     -11.334075      7.183011      7.529352
  C     -10.163338      5.166532      7.136927
  C      -9.103633      5.671154      7.901160
  C      -7.895232      4.996089      8.042033
  O      -6.910288      5.577333      8.755669
  C      -7.729777      3.729497      7.401892
  C      -6.439626      3.047403      7.493666
  O      -5.512257      3.526696      8.181380
  C      -6.172646      1.759084      6.702638
  C      -8.791194      3.225760      6.629454
  C      -9.983482      3.924582      6.466684
  O     -10.899256      3.339779      5.640551
  H       0.694430     -0.957109     -1.366734
  H       0.305106     -1.207866     -3.108844
  H      -0.128998     -2.429415     -1.858057
  H      -3.660176      0.462362     -1.444243
  H      -5.651109      0.602558      1.505221
  H      -4.586515     -0.746835      5.133760
  H      -3.274798     -1.756202      4.440938
  H      -2.000658     -1.751455      2.667013
  H      -0.282664     -2.417676      1.456564
  H      -9.878716      8.983738      6.635013
  H      -8.920471      9.873933      5.417781
  H     -10.697287      9.678983      5.217455
  H      -7.308972      8.572905      6.176080
  H      -5.267781      8.129859      6.990056
  H      -3.056133      5.836624      5.618198
  H      -3.875567      5.327959      7.083012
  H      -6.973699      4.210412      3.832964
  H      -9.986886      6.049881      3.609582
  H     -12.714329      5.530911      5.486813
  H     -12.885999      4.450046      6.906888
  H     -13.515596      6.137298      6.938992
  H      -9.239644      6.631308      8.399232
  H      -6.154745      4.910849      8.742478
  H      -6.594382      1.866154      5.692787
  H      -6.753811      0.945384      7.182082
  H      -8.690837      2.279944      6.097104
  H     -11.549344      3.996395      5.334134
  N      -3.002574      2.531176      3.345799
  H      -2.564836      1.885779      2.689068
  H      -3.362873      3.347815      2.848883
95
Coordinates from ORCA-job orca E -6661.005750753591
  N      -2.789141      0.273968      4.741800
  Mo     -3.474246      2.113171      5.261819
  N      -4.759730      1.418498      6.629163
  C      -4.209390      0.814385      7.841150
  C      -2.765088      0.380575      7.621748
  N      -2.013814      1.405227      6.828064
  C      -0.865895      0.785287      6.111707
  C      -1.391017     -0.037710      4.909292
  C      -1.550449      2.536287      7.686566
  C      -1.552260      3.789544      6.826672
  N      -2.809541      3.754178      6.102120
  H      -0.793193      0.223613      4.015396
  H      -1.251930     -1.119660      5.077693
  H      -0.210095      1.597291      5.772796
  H      -0.293742      0.159174      6.814874
  H      -1.481726      4.683257      7.467287
  H      -0.689843      3.816284      6.136593
  H      -2.283184      2.658926      8.494552
  H      -0.567669      2.306584      8.126619
  H      -4.794760     -0.075825      8.141337
  H      -4.277428      1.527943      8.682410
  H      -2.734335     -0.556833      7.056000
  H      -2.253180      0.214850      8.583594
  C      -0.064111     -1.303138     -2.104939
  C      -1.392769     -0.620921     -1.915053
  O      -1.923931     -0.022092     -2.845295
  C      -2.092550     -0.658955     -0.576217
  C      -3.316334      0.013053     -0.511112
  C      -4.085430      0.064886      0.652703
  O      -5.257698      0.723509      0.627722
  C      -3.594617     -0.559580      1.837142
  C      -4.365627     -0.451507      3.073035
  O      -5.507405      0.055661      3.083352
  C      -3.731070     -0.787373      4.423796
  C      -2.365340     -1.246872      1.767869
  C      -1.620693     -1.315427      0.594483
  O      -0.439899     -2.004594      0.553695
  C      -9.748336      9.234905      5.565895
  C      -9.583326      7.928716      4.848736
  O     -10.551234      7.440479      4.228441
  C      -8.312208      7.186960      4.910893
  C      -7.203178      7.652841      5.637917
  C      -6.033600      6.908808      5.752158
  O      -4.966756      7.346883      6.477521
  C      -5.944685      5.636614      5.118891
  C      -4.836750      4.718421      5.295078
  O      -4.929994      3.549145      4.799912
  C      -3.579249      4.981331      6.052759
  C      -7.042948      5.183123      4.363959
  C      -8.215240      5.920930      4.253263
  O      -9.239048      5.400690      3.558447
  C     -12.711037      5.462287      6.552853
  C     -11.397643      6.010292      7.059075
  O     -11.334470      7.169060      7.462492
  C     -10.169745      5.144493      7.098128
  C      -9.105934      5.658493      7.850538
  C      -7.898977      4.983241      7.997739
  O      -6.908480      5.572159      8.698581
  C      -7.736443      3.707862      7.375256
  C      -6.443542      3.033845      7.474354
  O      -5.519870      3.531841      8.153735
  C      -6.166826      1.735091      6.701792
  C      -8.800651      3.193211      6.614324
  C      -9.994039      3.890759      6.446999
  O     -10.913931      3.292857      5.635285
  H       0.677434     -0.917143     -1.390491
  H       0.274252     -1.138059     -3.133375
  H      -0.153410     -2.380269     -1.900960
  H      -3.678757      0.504760     -1.414861
  H      -5.655160      0.596479      1.544417
  H      -4.555519     -0.798564      5.156661
  H      -3.231161     -1.769263      4.434445
  H      -1.990238     -1.762250      2.654725
  H      -0.284744     -2.419429      1.421291
  H      -9.856726      9.022655      6.643006
  H      -8.891003      9.906589      5.425315
  H     -10.668045      9.718238      5.220081
  H      -7.264620      8.612361      6.155086
  H      -5.209466      8.169258      6.942386
  H      -3.033419      5.826317      5.585338
  H      -3.835057      5.339070      7.068544
  H      -6.993466      4.207349      3.882399
  H      -9.988829      6.075161      3.656826
  H     -12.721715      5.490966      5.447069
  H     -12.894255      4.430330      6.884299
  H     -13.520118      6.118339      6.893100
  H      -9.237522      6.627190      8.333468
  H      -6.152592      4.906600      8.683285
  H      -6.583818      1.827639      5.688996
  H      -6.743383      0.924783      7.190831
  H      -8.702842      2.240029      6.094644
  H     -11.567365      3.944265      5.324535
  N      -3.117322      2.458356      3.324270
  H      -2.744114      1.775396      2.666941
  H      -3.509634      3.257458      2.823948
95
Coordinates from ORCA-job orca E -6661.007624289256
  N      -2.764136      0.278126      4.762767
  Mo     -3.480852      2.114109      5.268248
  N      -4.758777      1.397771      6.614083
  C      -4.218255      0.798271      7.836149
  C      -2.767683      0.377459      7.634844
  N      -2.020473      1.413955      6.854470
  C      -0.858198      0.810021      6.148715
  C      -1.365684     -0.024210      4.947123
  C      -1.582364      2.551311      7.716737
  C      -1.577655      3.800500      6.851534
  N      -2.820774      3.757746      6.097350
  H      -0.759826      0.229384      4.056770
  H      -1.225329     -1.103699      5.130195
  H      -0.211238      1.629536      5.811216
  H      -0.282859      0.191976      6.856164
  H      -1.528971      4.697938      7.488476
  H      -0.702580      3.830754      6.178568
  H      -2.328426      2.670783      8.512967
  H      -0.604070      2.334345      8.173315
  H      -4.802523     -0.093358      8.131684
  H      -4.300760      1.515895      8.671898
  H      -2.721837     -0.555975      7.063778
  H      -2.267382      0.210676      8.602388
  C      -0.072237     -1.274701     -2.145906
  C      -1.420849     -0.635594     -1.947718
  O      -1.983505     -0.067058     -2.877990
  C      -2.104290     -0.679814     -0.599472
  C      -3.350572     -0.052291     -0.529166
  C      -4.107845     -0.010797      0.642803
  O      -5.302752      0.605800      0.622263
  C      -3.579298     -0.598730      1.831044
  C      -4.339192     -0.496145      3.076086
  O      -5.499158     -0.034901      3.090672
  C      -3.681358     -0.801256      4.422373
  C      -2.326519     -1.240582      1.756327
  C      -1.594517     -1.300451      0.574604
  O      -0.389269     -1.945328      0.526993
  C      -9.734613      9.272123      5.549311
  C      -9.570737      7.976866      4.813862
  O     -10.533420      7.504392      4.174306
  C      -8.305434      7.221263      4.886674
  C      -7.203289      7.674904      5.630231
  C      -6.040667      6.921577      5.755766
  O      -4.979135      7.343837      6.498077
  C      -5.954959      5.651502      5.119703
  C      -4.851934      4.728479      5.302732
  O      -4.953462      3.556091      4.819441
  C      -3.589164      4.989231      6.051661
  C      -7.046577      5.206803      4.350036
  C      -8.210138      5.957341      4.222770
  O      -9.224247      5.450220      3.505204
  C     -12.690620      5.477463      6.552240
  C     -11.380649      6.009311      7.084505
  O     -11.316107      7.160297      7.508452
  C     -10.155766      5.137895      7.121386
  C      -9.097901      5.632850      7.893364
  C      -7.894887      4.950069      8.039193
  O      -6.911673      5.522567      8.763164
  C      -7.730846      3.685823      7.391535
  C      -6.439482      3.006270      7.480743
  O      -5.512000      3.492793      8.163786
  C      -6.167868      1.718228      6.689673
  C      -8.789976      3.190258      6.611616
  C      -9.979181      3.896116      6.447413
  O     -10.890987      3.319856      5.611442
  H       0.664701     -0.854102     -1.446507
  H       0.246829     -1.111235     -3.180710
  H      -0.122380     -2.351645     -1.928042
  H      -3.740944      0.412569     -1.435448
  H      -5.682508      0.478780      1.547372
  H      -4.501659     -0.852923      5.158699
  H      -3.147002     -1.764949      4.419674
  H      -1.918552     -1.725029      2.646454
  H      -0.209161     -2.343083      1.397807
  H      -9.862597      9.041128      6.620357
  H      -8.868712      9.937272      5.434120
  H     -10.643389      9.770146      5.195347
  H      -7.265235      8.631774      6.152254
  H      -5.218834      8.167634      6.962021
  H      -3.039307      5.828086      5.579482
  H      -3.836074      5.345212      7.069728
  H      -6.997618      4.233449      3.864401
  H      -9.965045      6.139145      3.583825
  H     -12.686757      5.526797      5.447168
  H     -12.884337      4.441493      6.864406
  H     -13.500454      6.131101      6.895331
  H      -9.230329      6.592704      8.393344
  H      -6.157238      4.853453      8.741980
  H      -6.583356      1.825914      5.678228
  H      -6.741467      0.902176      7.171114
  H      -8.690517      2.248965      6.071065
  H     -11.537546      3.981498      5.308082
  N      -3.205551      2.433584      3.311206
  H      -2.881911      1.728113      2.652090
  H      -3.625199      3.221684      2.816190
95
Coordinates from ORCA-job orca E -6661.009128882284
  N      -2.741394      0.268467      4.797607
  Mo     -3.473359      2.107017      5.290158
  N      -4.751071      1.378276      6.623724
  C      -4.215992      0.789558      7.856100
  C      -2.764491      0.372825      7.668171
  N      -2.016333      1.412656      6.893774
  C      -0.847321      0.816491      6.194521
  C      -1.344554     -0.030891      4.999936
  C      -1.595180      2.556590      7.754480
  C      -1.573615      3.798103      6.881349
  N      -2.800565      3.757595      6.097731
  H      -0.728691      0.207104      4.111952
  H      -1.210699     -1.108513      5.200361
  H      -0.207666      1.640735      5.854688
  H      -0.268577      0.207741      6.907554
  H      -1.538527      4.700750      7.511766
  H      -0.684651      3.823156      6.226913
  H      -2.353835      2.678403      8.538612
  H      -0.624026      2.343127      8.228524
  H      -4.802342     -0.099722      8.153598
  H      -4.306703      1.516808      8.681824
  H      -2.708671     -0.558940      7.095570
  H      -2.270850      0.207560      8.639557
  C      -0.134010     -1.193736     -2.198070
  C      -1.499146     -0.603653     -1.970803
  O      -2.103895     -0.062113     -2.889695
  C      -2.155646     -0.662206     -0.605218
  C      -3.422257     -0.082314     -0.520152
  C      -4.159367     -0.057760      0.665932
  O      -5.375945      0.513533      0.664876
  C      -3.585439     -0.613765      1.848210
  C      -4.328763     -0.525979      3.104619
  O      -5.504084     -0.106533      3.132903
  C      -3.643674     -0.817236      4.438878
  C      -2.310144     -1.207121      1.759415
  C      -1.599487     -1.250465      0.565287
  O      -0.370249     -1.847874      0.499060
  C      -9.687133      9.309394      5.561670
  C      -9.531062      8.016546      4.822960
  O     -10.489537      7.557521      4.167997
  C      -8.270893      7.247101      4.899455
  C      -7.162176      7.702937      5.629620
  C      -6.003386      6.943074      5.753216
  O      -4.929010      7.368000      6.474850
  C      -5.936743      5.664396      5.131957
  C      -4.838022      4.734594      5.319311
  O      -4.958520      3.556700      4.855009
  C      -3.565428      4.991384      6.049948
  C      -7.036522      5.216164      4.376746
  C      -8.194970      5.976259      4.247903
  O      -9.220702      5.472809      3.545371
  C     -12.687845      5.434234      6.472916
  C     -11.384056      5.978960      7.005085
  O     -11.325591      7.134461      7.415593
  C     -10.153356      5.111632      7.063726
  C      -9.102095      5.623138      7.831462
  C      -7.897794      4.944482      7.993567
  O      -6.918949      5.527965      8.713641
  C      -7.729887      3.671658      7.365091
  C      -6.435709      2.998029      7.466546
  O      -5.511229      3.501122      8.142241
  C      -6.160018      1.701927      6.693851
  C      -8.783688      3.159557      6.588791
  C      -9.974326      3.859457      6.411077
  O     -10.886043      3.265355      5.586642
  H       0.604722     -0.742425     -1.520465
  H       0.151396     -1.024854     -3.241953
  H      -0.137274     -2.270062     -1.972687
  H      -3.845196      0.358238     -1.424049
  H      -5.727568      0.383539      1.602021
  H      -4.455605     -0.903670      5.182568
  H      -3.085936     -1.767366      4.415977
  H      -1.864665     -1.663231      2.646612
  H      -0.161491     -2.230572      1.370593
  H      -9.828759      9.072812      6.629645
  H      -8.812302      9.964821      5.461057
  H     -10.585766      9.820453      5.200378
  H      -7.212183      8.667311      6.138571
  H      -5.155370      8.202844      6.925914
  H      -3.014192      5.822153      5.565146
  H      -3.798224      5.354619      7.068668
  H      -6.998562      4.236181      3.903982
  H      -9.952189      6.174918      3.625172
  H     -12.678557      5.467782      5.367355
  H     -12.878821      4.401601      6.797291
  H     -13.503098      6.088307      6.802212
  H      -9.239503      6.590856      8.314596
  H      -6.160698      4.860266      8.696164
  H      -6.571761      1.797565      5.679893
  H      -6.730626      0.887259      7.181557
  H      -8.679920      2.209956      6.064069
  H     -11.538115      3.919582      5.278876
  N      -3.288003      2.387266      3.326048
  H      -3.001469      1.664233      2.668881
  H      -3.744244      3.158692      2.837630
95
Coordinates from ORCA-job orca E -6661.010256717825
  N      -2.710840      0.270868      4.820816
  Mo     -3.466533      2.103435      5.306276
  N      -4.743049      1.354187      6.619243
  C      -4.218926      0.767293      7.858548
  C      -2.762609      0.363117      7.687967
  N      -2.018442      1.415053      6.929411
  C      -0.836243      0.840833      6.238111
  C      -1.313542     -0.016758      5.044374
  C      -1.625163      2.560721      7.797777
  C      -1.585643      3.800039      6.923278
  N      -2.790485      3.760098      6.103222
  H      -0.686866      0.214391      4.162162
  H      -1.177219     -1.091435      5.259236
  H      -0.209607      1.675863      5.900671
  H      -0.250184      0.241728      6.953590
  H      -1.570226      4.704393      7.551705
  H      -0.679392      3.826411      6.293305
  H      -2.401962      2.679887      8.564548
  H      -0.664051      2.353291      8.295200
  H      -4.805189     -0.124745      8.146792
  H      -4.325229      1.496345      8.680472
  H      -2.690577     -0.564140      7.110285
  H      -2.279928      0.196473      8.664653
  C      -0.202142     -1.099411     -2.237995
  C      -1.598791     -0.596501     -1.997879
  O      -2.256372     -0.119081     -2.915733
  C      -2.222695     -0.666376     -0.616618
  C      -3.524513     -0.175116     -0.516619
  C      -4.235285     -0.172660      0.686207
  O      -5.489348      0.308855      0.701050
  C      -3.596839     -0.657489      1.867021
  C      -4.314346     -0.586525      3.138923
  O      -5.511595     -0.235692      3.188134
  C      -3.588650     -0.833003      4.459849
  C      -2.284824     -1.162768      1.761995
  C      -1.600254     -1.184820      0.553095
  O      -0.332962     -1.694275      0.469610
  C      -9.641925      9.352316      5.574990
  C      -9.490530      8.065120      4.825144
  O     -10.451395      7.613995      4.168517
  C      -8.236664      7.284761      4.903232
  C      -7.124308      7.733099      5.632375
  C      -5.972764      6.962786      5.757309
  O      -4.892442      7.382299      6.472916
  C      -5.921769      5.679944      5.143120
  C      -4.830748      4.740655      5.336248
  O      -4.963770      3.559330      4.886786
  C      -3.553438      4.994753      6.056573
  C      -7.025082      5.239766      4.389202
  C      -8.173869      6.013457      4.253184
  O      -9.202229      5.525034      3.543770
  C     -12.671791      5.416580      6.394540
  C     -11.373154      5.957276      6.942528
  O     -11.314611      7.114853      7.346710
  C     -10.144903      5.086400      7.018605
  C      -9.103046      5.597571      7.798747
  C      -7.900999      4.917867      7.975191
  O      -6.930450      5.498896      8.707545
  C      -7.726151      3.647193      7.346107
  C      -6.431766      2.976014      7.456754
  O      -5.515157      3.476945      8.144798
  C      -6.152033      1.682127      6.684088
  C      -8.771142      3.135100      6.557839
  C      -9.960361      3.833790      6.368950
  O     -10.863262      3.238734      5.535481
  H       0.517126     -0.581764     -1.587524
  H       0.051042     -0.939266     -3.291405
  H      -0.127883     -2.167110     -1.985654
  H      -3.997109      0.211126     -1.420477
  H      -5.810788      0.172721      1.648670
  H      -4.385542     -0.950896      5.216620
  H      -3.003451     -1.766363      4.422565
  H      -1.787061     -1.561896      2.648106
  H      -0.078613     -2.040153      1.344256
  H      -9.784937      9.106857      6.640501
  H      -8.764468     10.004838      5.481976
  H     -10.537372      9.871241      5.217354
  H      -7.164850      8.699184      6.138159
  H      -5.107552      8.225116      6.914290
  H      -3.001560      5.821321      5.565618
  H      -3.778425      5.359988      7.076269
  H      -6.996238      4.258061      3.919683
  H      -9.918567      6.244570      3.607599
  H     -12.646457      5.442396      5.289188
  H     -12.874504      4.387887      6.723842
  H     -13.487845      6.077627      6.707300
  H      -9.245267      6.565694      8.279235
  H      -6.167848      4.836375      8.687056
  H      -6.556466      1.781111      5.667781
  H      -6.724110      0.865090      7.165735
  H      -8.661849      2.186116      6.033672
  H     -11.517749      3.890176      5.227597
  N      -3.339617      2.369658      3.336522
  H      -3.058178      1.647223      2.676526
  H      -3.823470      3.129531      2.856687
95
Coordinates from ORCA-job orca E -6661.011207824015
  N      -2.689640      0.235372      4.860293
  Mo     -3.466002      2.062758      5.332678
  N      -4.736662      1.306092      6.649319
  C      -4.209126      0.734613      7.894253
  C      -2.750415      0.344816      7.730601
  N      -2.017177      1.401446      6.970075
  C      -0.827867      0.842288      6.283313
  C      -1.291286     -0.037236      5.102250
  C      -1.645451      2.558513      7.829955
  C      -1.594741      3.786705      6.942116
  N      -2.782045      3.738131      6.096376
  H      -0.656962      0.181886      4.222210
  H      -1.150364     -1.107331      5.336946
  H      -0.218240      1.685584      5.935635
  H      -0.227674      0.262389      7.003384
  H      -1.593232      4.698222      7.560293
  H      -0.675739      3.809936      6.330829
  H      -2.435179      2.681734      8.582844
  H      -0.692068      2.361199      8.346921
  H      -4.789578     -0.159451      8.188027
  H      -4.324447      1.471887      8.707515
  H      -2.665168     -0.584012      7.157575
  H      -2.268437      0.188504      8.709524
  C      -0.302062     -0.892084     -2.259347
  C      -1.719797     -0.471286     -1.991740
  O      -2.421702     -0.029376     -2.894216
  C      -2.311096     -0.582037     -0.597593
  C      -3.637151     -0.170118     -0.469664
  C      -4.320131     -0.212613      0.749284
  O      -5.598129      0.196075      0.794304
  C      -3.628121     -0.664155      1.913093
  C      -4.316912     -0.641556      3.201148
  O      -5.530440     -0.355715      3.284541
  C      -3.550400     -0.878644      4.500310
  C      -2.289475     -1.088525      1.778722
  C      -1.632344     -1.064396      0.555911
  O      -0.338088     -1.495045      0.442052
  C      -9.579204      9.380929      5.493559
  C      -9.443496      8.085719      4.753678
  O     -10.404019      7.653560      4.083821
  C      -8.204815      7.283146      4.851217
  C      -7.090846      7.726096      5.581494
  C      -5.950381      6.942411      5.721344
  O      -4.867266      7.359376      6.433609
  C      -5.915771      5.650490      5.126106
  C      -4.832585      4.703561      5.335441
  O      -4.978513      3.513328      4.916281
  C      -3.549403      4.967475      6.038100
  C      -7.021330      5.214255      4.374234
  C      -8.157619      6.002786      4.217867
  O      -9.187236      5.522293      3.505165
  C     -12.623218      5.416329      6.312821
  C     -11.326951      5.951709      6.870380
  O     -11.262461      7.114195      7.258187
  C     -10.107428      5.069821      6.976053
  C      -9.072901      5.583557      7.764066
  C      -7.878811      4.895849      7.966529
  O      -6.916198      5.473597      8.711007
  C      -7.705400      3.618615      7.352293
  C      -6.415849      2.941509      7.478072
  O      -5.495896      3.449642      8.156537
  C      -6.142798      1.639776      6.718656
  C      -8.744081      3.104020      6.556933
  C      -9.926062      3.807266      6.346267
  O     -10.824077      3.206950      5.511376
  H       0.398570     -0.334678     -1.621572
  H      -0.078976     -0.716635     -3.317045
  H      -0.159865     -1.953518     -2.009826
  H      -4.150389      0.190274     -1.361726
  H      -5.887677      0.046296      1.750962
  H      -4.328592     -1.026636      5.272588
  H      -2.949190     -1.800316      4.433575
  H      -1.749219     -1.458806      2.651774
  H      -0.045115     -1.827376      1.309849
  H      -9.735948      9.147618      6.559565
  H      -8.689251     10.016871      5.406652
  H     -10.460782      9.914836      5.124048
  H      -7.119341      8.699583      6.073142
  H      -5.070704      8.214543      6.856163
  H      -3.005033      5.788665      5.529464
  H      -3.766349      5.349930      7.053656
  H      -7.002450      4.225796      3.918684
  H      -9.890327      6.256830      3.548891
  H     -12.582583      5.420766      5.207669
  H     -12.843083      4.396084      6.656966
  H     -13.436091      6.092397      6.600526
  H      -9.214625      6.558458      8.230423
  H      -6.159569      4.804043      8.710530
  H      -6.551930      1.728714      5.703344
  H      -6.714485      0.827307      7.208794
  H      -8.634419      2.148367      6.045511
  H     -11.477156      3.855750      5.195544
  N      -3.405623      2.285540      3.361873
  H      -3.123700      1.560337      2.705136
  H      -3.928023      3.021737      2.885686
95
Coordinates from ORCA-job orca E -6661.011987661278
  N      -2.644845      0.234932      4.888291
  Mo     -3.453649      2.045393      5.365022
  N      -4.724553      1.267884      6.664931
  C      -4.205747      0.693179      7.913612
  C      -2.739437      0.322179      7.764483
  N      -2.015641      1.395359      7.020457
  C      -0.810395      0.866113      6.340185
  C      -1.246832     -0.021957      5.156932
  C      -1.675439      2.553222      7.889928
  C      -1.608226      3.781404      7.003416
  N      -2.771714      3.729571      6.123124
  H      -0.599115      0.197897      4.287044
  H      -1.099503     -1.089093      5.400751
  H      -0.219434      1.723567      5.995100
  H      -0.197763      0.299148      7.060363
  H      -1.627711      4.692407      7.621964
  H      -0.672695      3.811245      6.418142
  H      -2.485066      2.672241      8.622058
  H      -0.734648      2.363473      8.433079
  H      -4.780739     -0.208554      8.193453
  H      -4.339690      1.424950      8.728829
  H      -2.635482     -0.601752      7.186556
  H      -2.267044      0.164815      8.747921
  C      -0.431575     -0.761085     -2.327568
  C      -1.864138     -0.425800     -2.019088
  O      -2.621121     -0.043060     -2.904093
  C      -2.403661     -0.553460     -0.605646
  C      -3.750417     -0.229155     -0.443293
  C      -4.392671     -0.297310      0.796799
  O      -5.691957      0.029609      0.876639
  C      -3.639247     -0.685157      1.944769
  C      -4.290994     -0.693171      3.250930
  O      -5.518701     -0.491060      3.364125
  C      -3.481827     -0.897257      4.531918
  C      -2.278733     -1.020170      1.776144
  C      -1.660088     -0.970554      0.534057
  O      -0.343418     -1.316542      0.389806
  C      -9.528996      9.420600      5.437044
  C      -9.396312      8.118684      4.706748
  O     -10.347345      7.698535      4.016484
  C      -8.170992      7.301216      4.830891
  C      -7.058449      7.738674      5.566929
  C      -5.927082      6.944349      5.722899
  O      -4.842760      7.362253      6.433028
  C      -5.902428      5.644558      5.143719
  C      -4.828076      4.690121      5.366946
  O      -4.980564      3.496146      4.963380
  C      -3.543682      4.956299      6.065024
  C      -7.007834      5.212601      4.389603
  C      -8.132417      6.013531      4.212442
  O      -9.161258      5.539152      3.494158
  C     -12.585166      5.411336      6.209377
  C     -11.293431      5.941156      6.783256
  O     -11.226382      7.106937      7.160916
  C     -10.084366      5.049665      6.918093
  C      -9.058282      5.561991      7.718885
  C      -7.872221      4.867575      7.945071
  O      -6.918194      5.442650      8.702812
  C      -7.695649      3.586915      7.339127
  C      -6.410221      2.906126      7.484234
  O      -5.499229      3.410754      8.177221
  C      -6.132299      1.602988      6.728863
  C      -8.726453      3.072893      6.532672
  C      -9.903107      3.779352      6.303430
  O     -10.795849      3.173305      5.467704
  H       0.252199     -0.148688     -1.722623
  H      -0.253789     -0.591305     -3.394905
  H      -0.213758     -1.806610     -2.065710
  H      -4.312636      0.082982     -1.324179
  H      -5.941159     -0.113225      1.845668
  H      -4.239556     -1.076020      5.318602
  H      -2.861168     -1.804575      4.441223
  H      -1.690556     -1.340606      2.637726
  H      -0.005066     -1.614316      1.253823
  H      -9.700880      9.198074      6.503180
  H      -8.631390     10.047357      5.357941
  H     -10.399523      9.961590      5.051919
  H      -7.078748      8.718808      6.046060
  H      -5.037354      8.228844      6.836149
  H      -3.003355      5.778564      5.553765
  H      -3.759618      5.341356      7.079917
  H      -6.996565      4.218154      3.946317
  H      -9.854062      6.283436      3.520273
  H     -12.525090      5.400291      5.105007
  H     -12.822399      4.398230      6.564174
  H     -13.396040      6.099524      6.473225
  H      -9.199870      6.541942      8.174723
  H      -6.160981      4.775387      8.709086
  H      -6.536624      1.690167      5.711812
  H      -6.705885      0.791084      7.217195
  H      -8.616362      2.112038      6.031004
  H     -11.455162      3.816122      5.152355
  N      -3.445425      2.268554      3.391645
  H      -3.153241      1.558544      2.723563
  H      -3.992863      2.996089      2.930649
95
Coordinates from ORCA-job orca E -6661.012616448923
  N      -2.629254      0.210679      4.908531
  Mo     -3.458318      2.008481      5.386631
  N      -4.722239      1.223430      6.691597
  C      -4.202515      0.651093      7.940977
  C      -2.733064      0.295726      7.793874
  N      -2.021106      1.377147      7.051248
  C      -0.809193      0.862396      6.373648
  C      -1.233572     -0.040920      5.199020
  C      -1.697867      2.541581      7.917086
  C      -1.618677      3.762800      7.022183
  N      -2.768093      3.704377      6.122572
  H      -0.575823      0.169408      4.334339
  H      -1.087327     -1.104803      5.456333
  H      -0.233498      1.726103      6.018678
  H      -0.182977      0.311729      7.094937
  H      -1.648140      4.677475      7.634903
  H      -0.673599      3.791826      6.452663
  H      -2.520309      2.665429      8.633720
  H      -0.766309      2.358938      8.478656
  H      -4.769728     -0.256363      8.217686
  H      -4.345221      1.379824      8.757327
  H      -2.619856     -0.627272      7.215979
  H      -2.260693      0.141986      8.777901
  C      -0.506671     -0.576055     -2.337272
  C      -1.949605     -0.311820     -2.006138
  O      -2.735737      0.041990     -2.877857
  C      -2.462951     -0.475646     -0.587649
  C      -3.822991     -0.222619     -0.406850
  C      -4.445852     -0.332175      0.840049
  O      -5.760766     -0.080943      0.935600
  C      -3.660393     -0.686256      1.976429
  C      -4.292472     -0.732928      3.290538
  O      -5.523646     -0.569595      3.422799
  C      -3.458080     -0.929259      4.559108
  C      -2.286309     -0.948769      1.790065
  C      -1.685276     -0.860078      0.540941
  O      -0.353690     -1.134957      0.381161
  C      -9.482806      9.442301      5.328887
  C      -9.359820      8.125025      4.624024
  O     -10.312603      7.700429      3.939319
  C      -8.146162      7.296525      4.772976
  C      -7.030154      7.736065      5.502574
  C      -5.908170      6.932298      5.678744
  O      -4.820121      7.356520      6.379657
  C      -5.896583      5.618957      5.130119
  C      -4.831389      4.658522      5.370303
  O      -4.995616      3.458206      4.993970
  C      -3.541374      4.930119      6.055486
  C      -7.006741      5.183534      4.384805
  C      -8.120027      5.994457      4.184524
  O      -9.151618      5.517877      3.471227
  C     -12.542046      5.426133      6.171087
  C     -11.247099      5.947860      6.746057
  O     -11.165849      7.120416      7.099481
  C     -10.052789      5.042485      6.904264
  C      -9.024186      5.554288      7.702845
  C      -7.846821      4.850711      7.944035
  O      -6.891292      5.427297      8.699114
  C      -7.678631      3.561253      7.352810
  C      -6.399036      2.870896      7.506415
  O      -5.488616      3.365997      8.206748
  C      -6.129438      1.560995      6.759154
  C      -8.712812      3.047163      6.550510
  C      -9.883517      3.760256      6.310798
  O     -10.781450      3.148391      5.485882
  H       0.155106      0.065789     -1.738248
  H      -0.351885     -0.392568     -3.405920
  H      -0.235085     -1.611050     -2.084200
  H      -4.411781      0.063600     -1.279234
  H      -5.995557     -0.251507      1.903239
  H      -4.201587     -1.124542      5.355620
  H      -2.833122     -1.831640      4.447957
  H      -1.672621     -1.239770      2.644525
  H       0.010680     -1.417374      1.239684
  H      -9.648545      9.245490      6.400987
  H      -8.582349     10.062943      5.231640
  H     -10.352266      9.979718      4.936452
  H      -7.039252      8.727382      5.958940
  H      -5.003848      8.237536      6.755799
  H      -3.005919      5.748374      5.532678
  H      -3.751725      5.328977      7.066371
  H      -7.006432      4.178667      3.965062
  H      -9.830996      6.273976      3.468973
  H     -12.471322      5.387713      5.067882
  H     -12.800126      4.425920      6.548009
  H     -13.343945      6.133662      6.409981
  H      -9.156251      6.542847      8.142688
  H      -6.136388      4.758405      8.711900
  H      -6.539135      1.641071      5.743943
  H      -6.703489      0.754693      7.256060
  H      -8.611436      2.077982      6.063073
  H     -11.447148      3.786488      5.174221
  N      -3.498071      2.205035      3.411020
  H      -3.184505      1.506544      2.740785
  H      -4.072304      2.914314      2.954565
95
Coordinates from ORCA-job orca E -6661.013222338222
  N      -2.606744      0.231930      4.900678
  Mo     -3.467198      2.003827      5.405596
  N      -4.717626      1.191264      6.708953
  C      -4.193016      0.606229      7.950442
  C      -2.718636      0.275427      7.798002
  N      -2.026225      1.377831      7.069441
  C      -0.805102      0.892804      6.387387
  C      -1.213493     -0.014073      5.211609
  C      -1.725754      2.538858      7.946857
  C      -1.641499      3.765096      7.059217
  N      -2.777887      3.704648      6.142064
  H      -0.546221      0.198056      4.354696
  H      -1.065810     -1.077013      5.470639
  H      -0.250362      1.769678      6.031571
  H      -0.161888      0.354079      7.102741
  H      -1.685290      4.675337      7.677592
  H      -0.688326      3.805643      6.504395
  H      -2.562287      2.653944      8.648296
  H      -0.802936      2.360565      8.524067
  H      -4.746846     -0.313933      8.211236
  H      -4.347296      1.318627      8.778747
  H      -2.593191     -0.638326      7.207884
  H      -2.243428      0.114849      8.779513
  C      -0.546548     -0.545842     -2.368064
  C      -1.994001     -0.317735     -2.027679
  O      -2.795977      0.004730     -2.897271
  C      -2.490406     -0.476788     -0.603954
  C      -3.856028     -0.261174     -0.414459
  C      -4.465376     -0.368193      0.839016
  O      -5.785350     -0.148552      0.940434
  C      -3.661838     -0.683533      1.973911
  C      -4.278596     -0.736559      3.295519
  O      -5.513300     -0.623341      3.440518
  C      -3.423386     -0.918717      4.554786
  C      -2.282204     -0.906721      1.779556
  C      -1.692919     -0.818928      0.523944
  O      -0.354525     -1.052970      0.357481
  C      -9.453297      9.486922      5.260606
  C      -9.342958      8.155089      4.581672
  O     -10.294412      7.731784      3.894679
  C      -8.142087      7.314240      4.756503
  C      -7.025536      7.751687      5.486377
  C      -5.913363      6.938668      5.682344
  O      -4.825333      7.362618      6.384071
  C      -5.910920      5.617029      5.154221
  C      -4.851687      4.652938      5.403260
  O      -5.022288      3.449670      5.042209
  C      -3.557159      4.927505      6.078895
  C      -7.023499      5.181287      4.411942
  C      -8.126103      6.001224      4.191529
  O      -9.158482      5.523994      3.479550
  C     -12.497468      5.451033      6.121348
  C     -11.200298      5.954121      6.709073
  O     -11.099453      7.130930      7.043516
  C     -10.028121      5.028248      6.896657
  C      -8.999197      5.532253      7.700379
  C      -7.835529      4.814143      7.960197
  O      -6.882114      5.380669      8.726299
  C      -7.675627      3.520573      7.376159
  C      -6.400027      2.825083      7.536695
  O      -5.489147      3.321884      8.234528
  C      -6.127638      1.517745      6.784702
  C      -8.710995      3.011781      6.572509
  C      -9.873352      3.735324      6.321248
  O     -10.773695      3.123483      5.500052
  H       0.101028      0.124312     -1.784498
  H      -0.405769     -0.374154     -3.440462
  H      -0.243133     -1.568751     -2.101920
  H      -4.459957     -0.004306     -1.285581
  H      -6.008933     -0.301750      1.912986
  H      -4.153167     -1.133697      5.358784
  H      -2.789927     -1.812907      4.425175
  H      -1.654031     -1.162979      2.634954
  H       0.027450     -1.307450      1.216856
  H      -9.613760      9.316088      6.337728
  H      -8.548165     10.098047      5.145043
  H     -10.319940     10.022663      4.859797
  H      -7.026036      8.750613      5.926401
  H      -4.999845      8.254074      6.739378
  H      -3.028691      5.748947      5.554138
  H      -3.763909      5.327946      7.090079
  H      -7.031901      4.169621      4.009001
  H      -9.826634      6.289315      3.454776
  H     -12.407672      5.387146      5.020585
  H     -12.787139      4.466374      6.516348
  H     -13.286318      6.182232      6.330361
  H      -9.120409      6.527165      8.128832
  H      -6.140229      4.699130      8.758958
  H      -6.545767      1.594814      5.772948
  H      -6.692485      0.707734      7.285794
  H      -8.618036      2.037419      6.093716
  H     -11.445454      3.758679      5.195619
  N      -3.557520      2.206511      3.431329
  H      -3.220520      1.533776      2.746666
  H      -4.155709      2.906050      2.991308
95
Coordinates from ORCA-job orca E -6661.013713881704
  N      -2.587539      0.229087      4.902629
  Mo     -3.482283      1.976246      5.425639
  N      -4.717403      1.148676      6.735172
  C      -4.185227      0.557874      7.971126
  C      -2.706433      0.247580      7.812160
  N      -2.034270      1.365114      7.089472
  C      -0.804497      0.906186      6.404373
  C      -1.197414     -0.012010      5.234399
  C      -1.756590      2.527764      7.971436
  C      -1.669552      3.753848      7.083890
  N      -2.794550      3.684992      6.152291
  H      -0.520493      0.193683      4.383362
  H      -1.051371     -1.072612      5.503281
  H      -0.272438      1.794223      6.041715
  H      -0.144412      0.384999      7.117483
  H      -1.728244      4.663584      7.701782
  H      -0.709868      3.803014      6.541385
  H      -2.607026      2.635986      8.657227
  H      -0.841812      2.356959      8.563525
  H      -4.727116     -0.371784      8.222946
  H      -4.347396      1.259953      8.806518
  H      -2.571193     -0.659999      7.214715
  H      -2.225382      0.085886      8.790676
  C      -0.598448     -0.413298     -2.385672
  C      -2.050241     -0.245329     -2.028895
  O      -2.873759      0.044439     -2.889864
  C      -2.525666     -0.429315     -0.601104
  C      -3.897549     -0.273188     -0.397896
  C      -4.489679     -0.405909      0.861011
  O      -5.816528     -0.239392      0.976565
  C      -3.663241     -0.689285      1.987107
  C      -4.266776     -0.773515      3.314399
  O      -5.502642     -0.708176      3.470454
  C      -3.391247     -0.934136      4.563190
  C      -2.277421     -0.852055      1.779954
  C      -1.703648     -0.737022      0.518903
  O      -0.358051     -0.910594      0.338515
  C      -9.410656      9.518979      5.136459
  C      -9.323934      8.164755      4.500733
  O     -10.274132      7.742772      3.811415
  C      -8.138982      7.307513      4.708826
  C      -7.020885      7.746010      5.435065
  C      -5.921085      6.922807      5.656720
  O      -4.831178      7.346359      6.356512
  C      -5.932649      5.590171      5.158217
  C      -4.878808      4.623928      5.421588
  O      -5.057453      3.414798      5.085777
  C      -3.578751      4.905009      6.083585
  C      -7.048973      5.150286      4.423057
  C      -8.139396      5.979837      4.177952
  O      -9.175080      5.499528      3.472782
  C     -12.432012      5.500078      6.078723
  C     -11.131381      5.978984      6.679624
  O     -11.004356      7.158958      6.994002
  C      -9.987342      5.027458      6.902988
  C      -8.955103      5.521900      7.708389
  C      -7.806952      4.786174      7.984711
  O      -6.847848      5.344943      8.749729
  C      -7.663894      3.485589      7.412294
  C      -6.395917      2.777893      7.579462
  O      -5.487526      3.262969      8.288282
  C      -6.128424      1.471170      6.823494
  C      -8.704282      2.983815      6.611605
  C      -9.855251      3.722325      6.349106
  O     -10.763353      3.112612      5.535581
  H       0.026598      0.284885     -1.810318
  H      -0.477840     -0.236776     -3.459749
  H      -0.248430     -1.422251     -2.122543
  H      -4.520250     -0.040472     -1.262649
  H      -6.021684     -0.398779      1.951238
  H      -4.105433     -1.168488      5.375616
  H      -2.743969     -1.816220      4.418938
  H      -1.631021     -1.077887      2.630444
  H       0.044470     -1.146416      1.193863
  H      -9.563637      9.388232      6.220043
  H      -8.496890     10.111376      4.992570
  H     -10.271694     10.053920      4.722519
  H      -7.009632      8.755589      5.850419
  H      -4.992530      8.250392      6.685485
  H      -3.055078      5.723789      5.550163
  H      -3.780483      5.313928      7.092658
  H      -7.068690      4.129912      4.043423
  H      -9.829688      6.276329      3.422733
  H     -12.321907      5.404524      4.981841
  H     -12.760888      4.536411      6.494915
  H     -13.202356      6.259674      6.252766
  H      -9.058809      6.525766      8.120376
  H      -6.117132      4.651715      8.791207
  H      -6.557628      1.544834      5.816155
  H      -6.684446      0.660363      7.332993
  H      -8.625524      2.002361      6.144501
  H     -11.440970      3.747283      5.242646
  N      -3.637109      2.177849      3.456196
  H      -3.285307      1.526380      2.758946
  H      -4.258918      2.867289      3.033737
95
Coordinates from ORCA-job orca E -6661.014096654114
  N      -2.572456      0.242951      4.898696
  Mo     -3.499094      1.964535      5.445800
  N      -4.715366      1.113975      6.756896
  C      -4.178040      0.511422      7.984276
  C      -2.696864      0.223217      7.818679
  N      -2.043673      1.357972      7.106113
  C      -0.806542      0.924367      6.417747
  C      -1.186508      0.000098      5.250752
  C      -1.786828      2.518197      7.997450
  C      -1.699616      3.748320      7.116137
  N      -2.815523      3.674909      6.173398
  H      -0.498691      0.197699      4.406489
  H      -1.047383     -1.059169      5.528036
  H      -0.294981      1.823028      6.052020
  H      -0.132934      0.416635      7.127966
  H      -1.772444      4.655016      7.736867
  H      -0.735296      3.807570      6.583290
  H      -2.649857      2.615801      8.668943
  H      -0.878836      2.351599      8.600869
  H      -4.708908     -0.428315      8.221597
  H      -4.348208      1.198899      8.829854
  H      -2.552859     -0.675050      7.209519
  H      -2.209717      0.055967      8.793255
  C      -0.643494     -0.334112     -2.407920
  C      -2.096445     -0.208594     -2.039398
  O      -2.935459      0.051417     -2.894915
  C      -2.553956     -0.400315     -0.606829
  C      -3.929022     -0.293269     -0.392955
  C      -4.506122     -0.441773      0.870722
  O      -5.838224     -0.325825      0.997032
  C      -3.660906     -0.689622      1.990992
  C      -4.254595     -0.791216      3.322937
  O      -5.490468     -0.773709      3.484557
  C      -3.365905     -0.931056      4.563309
  C      -2.272228     -0.803846      1.773659
  C      -1.712768     -0.673434      0.507882
  O      -0.363881     -0.800103      0.316563
  C      -9.375051      9.554105      5.037846
  C      -9.304153      8.185273      4.433301
  O     -10.254049      7.759060      3.746422
  C      -8.134297      7.314860      4.675205
  C      -7.016941      7.753901      5.401472
  C      -5.929205      6.922065      5.647144
  O      -4.838674      7.344849      6.346757
  C      -5.953301      5.580752      5.173125
  C      -4.904547      4.611942      5.448758
  O      -5.090946      3.399269      5.132563
  C      -3.600464      4.894582      6.101078
  C      -7.071093      5.138490      4.440934
  C      -8.150062      5.976498      4.173758
  O      -9.188777      5.496280      3.472271
  C     -12.377644      5.524651      6.044394
  C     -11.073045      5.989578      6.647487
  O     -10.923609      7.173975      6.935243
  C      -9.951016      5.021201      6.902219
  C      -8.917121      5.510195      7.708514
  C      -7.782153      4.761314      8.001993
  O      -6.823780      5.314230      8.772196
  C      -7.651643      3.454234      7.439992
  C      -6.390851      2.734813      7.614240
  O      -5.482574      3.209191      8.330183
  C      -6.127867      1.429082      6.854503
  C      -8.695433      2.956732      6.641908
  C      -9.837133      3.706271      6.368340
  O     -10.751376      3.097591      5.561496
  H      -0.036131      0.389397     -1.845241
  H      -0.539135     -0.163483     -3.484686
  H      -0.258844     -1.328808     -2.139357
  H      -4.566864     -0.088571     -1.253741
  H      -6.027418     -0.492928      1.972900
  H      -4.067170     -1.179640      5.382476
  H      -2.704300     -1.801118      4.410588
  H      -1.611653     -1.000667      2.620096
  H       0.053979     -1.016272      1.169852
  H      -9.513607      9.451860      6.126049
  H      -8.458138     10.134230      4.866120
  H     -10.236543     10.085238      4.620073
  H      -6.995968      8.771885      5.795239
  H      -4.988599      8.258824      6.652897
  H      -3.076561      5.710417      5.564064
  H      -3.798736      5.306479      7.109862
  H      -7.100189      4.112141      4.078791
  H      -9.829494      6.283912      3.399872
  H     -12.252887      5.384598      4.954109
  H     -12.741371      4.588250      6.493213
  H     -13.129293      6.310607      6.178289
  H      -9.007843      6.521045      8.106130
  H      -6.104054      4.609459      8.829114
  H      -6.565804      1.500083      5.850955
  H      -6.674240      0.616305      7.371357
  H      -8.628330      1.968896      6.186531
  H     -11.436391      3.730917      5.282179
  N      -3.692948      2.160794      3.479535
  H      -3.315120      1.528485      2.778120
  H      -4.335329      2.834103      3.062666
95
Coordinates from ORCA-job orca E -6661.014341840614
  N      -2.560329      0.244758      4.892080
  Mo     -3.513335      1.946771      5.457314
  N      -4.717609      1.095812      6.777891
  C      -4.174373      0.488427      7.999958
  C      -2.691738      0.206831      7.825917
  N      -2.050841      1.347701      7.114151
  C      -0.809202      0.931116      6.423213
  C      -1.179955     -0.004051      5.264959
  C      -1.808377      2.508097      8.008833
  C      -1.719731      3.738288      7.128342
  N      -2.829449      3.658812      6.178285
  H      -0.479860      0.176180      4.426865
  H      -1.052783     -1.060632      5.557679
  H      -0.316009      1.836721      6.049689
  H      -0.123981      0.438805      7.133230
  H      -1.802414      4.644671      7.748139
  H      -0.752322      3.802561      6.602015
  H      -2.681120      2.599998      8.668215
  H      -0.905981      2.344895      8.621339
  H      -4.700890     -0.455148      8.231576
  H      -4.345205      1.169596      8.850404
  H      -2.547086     -0.688038      7.212169
  H      -2.197021      0.038544      8.796476
  C      -0.656045     -0.280597     -2.412699
  C      -2.109191     -0.167950     -2.041947
  O      -2.952308      0.084601     -2.895637
  C      -2.561619     -0.366455     -0.608408
  C      -3.938107     -0.288806     -0.392371
  C      -4.510360     -0.454329      0.871460
  O      -5.845523     -0.371967      0.997754
  C      -3.656971     -0.686064      1.990252
  C      -4.245159     -0.806300      3.324372
  O      -5.480313     -0.821702      3.490860
  C      -3.348886     -0.935498      4.557515
  C      -2.266669     -0.769140      1.770279
  C      -1.712917     -0.623893      0.504241
  O      -0.362176     -0.721106      0.310134
  C      -9.340343      9.570173      4.983626
  C      -9.288507      8.193967      4.395054
  O     -10.242348      7.771942      3.711301
  C      -8.126880      7.313657      4.647066
  C      -7.005815      7.753713      5.366448
  C      -5.925628      6.915996      5.622883
  O      -4.831641      7.337992      6.317439
  C      -5.962929      5.568487      5.167337
  C      -4.919575      4.596015      5.453690
  O      -5.117800      3.379219      5.162810
  C      -3.611015      4.879933      6.095324
  C      -7.083957      5.125321      4.441161
  C      -8.156370      5.969165      4.164099
  O      -9.200593      5.489312      3.470244
  C     -12.361607      5.534274      6.049333
  C     -11.048945      5.996476      6.636032
  O     -10.887069      7.184426      6.903033
  C      -9.934456      5.022799      6.903055
  C      -8.897201      5.513439      7.703935
  C      -7.767686      4.759356      8.005960
  O      -6.807767      5.310659      8.775210
  C      -7.645084      3.447746      7.453190
  C      -6.389014      2.721610      7.634928
  O      -5.484385      3.188505      8.360349
  C      -6.130475      1.410507      6.882161
  C      -8.692216      2.948539      6.661214
  C      -9.831271      3.701101      6.383793
  O     -10.751203      3.087982      5.587132
  H      -0.054855      0.452113     -1.855453
  H      -0.556404     -0.114261     -3.490608
  H      -0.260724     -1.269577     -2.139745
  H      -4.581500     -0.097708     -1.252077
  H      -6.030155     -0.553301      1.972583
  H      -4.040698     -1.193112      5.381947
  H      -2.677317     -1.796804      4.398667
  H      -1.600070     -0.953232      2.614701
  H       0.060996     -0.928741      1.162932
  H      -9.449239      9.482975      6.076254
  H      -8.424887     10.142044      4.778886
  H     -10.209211     10.100234      4.580255
  H      -6.976304      8.776815      5.745803
  H      -4.971566      8.258680      6.607604
  H      -3.084049      5.688284      5.550758
  H      -3.805606      5.300225      7.101673
  H      -7.121411      4.095244      4.090738
  H      -9.829776      6.285864      3.381228
  H     -12.240802      5.356249      4.964587
  H     -12.741128      4.620187      6.530638
  H     -13.100533      6.335817      6.158904
  H      -8.980657      6.529096      8.090619
  H      -6.094007      4.599714      8.839776
  H      -6.576195      1.471066      5.881727
  H      -6.669515      0.601327      7.412309
  H      -8.632553      1.955149      6.217227
  H     -11.448389      3.715177      5.324697
  N      -3.759252      2.142315      3.499044
  H      -3.361873      1.530126      2.790729
  H      -4.424573      2.799824      3.092925
95
Coordinates from ORCA-job orca E -6661.014478466631
  N      -2.548953      0.245693      4.895896
  Mo     -3.521591      1.933673      5.473204
  N      -4.714030      1.078952      6.798994
  C      -4.170876      0.468187      8.018562
  C      -2.688290      0.195462      7.842835
  N      -2.056682      1.341238      7.131132
  C      -0.811619      0.936088      6.441170
  C      -1.175472     -0.011040      5.293602
  C      -1.826338      2.504061      8.026325
  C      -1.734445      3.732854      7.144732
  N      -2.837081      3.648037      6.186382
  H      -0.461390      0.146661      4.462986
  H      -1.063966     -1.063770      5.605908
  H      -0.332743      1.845504      6.058725
  H      -0.117729      0.458192      7.152629
  H      -1.825326      4.640406      7.761380
  H      -0.763400      3.798553      6.625369
  H      -2.707076      2.594242      8.674882
  H      -0.929408      2.344257      8.647617
  H      -4.694271     -0.478623      8.243099
  H      -4.346371      1.144335      8.872079
  H      -2.540647     -0.697505      7.227111
  H      -2.189893      0.028389      8.811620
  C      -0.704244     -0.216878     -2.425642
  C      -2.155115     -0.119678     -2.042214
  O      -3.008886      0.124084     -2.887688
  C      -2.592514     -0.328801     -0.605404
  C      -3.968845     -0.287690     -0.379911
  C      -4.527282     -0.472014      0.887630
  O      -5.863315     -0.425700      1.024326
  C      -3.659931     -0.683505      1.999409
  C      -4.237547     -0.827924      3.335418
  O      -5.471455     -0.878792      3.505866
  C      -3.334842     -0.939972      4.563958
  C      -2.269410     -0.726669      1.770366
  C      -1.729106     -0.563864      0.500999
  O      -0.377101     -0.620983      0.298767
  C      -9.307624      9.584546      4.949319
  C      -9.265828      8.205587      4.365517
  O     -10.217893      7.789471      3.676257
  C      -8.109732      7.318966      4.622325
  C      -6.986462      7.758320      5.338432
  C      -5.911203      6.916049      5.599256
  O      -4.815232      7.336011      6.291107
  C      -5.957999      5.565553      5.153301
  C      -4.921987      4.588744      5.452672
  O      -5.131540      3.369049      5.186168
  C      -3.611108      4.872564      6.087929
  C      -7.079868      5.124324      4.428326
  C      -8.147565      5.973023      4.146129
  O      -9.195368      5.496481      3.455092
  C     -12.341745      5.526122      6.020819
  C     -11.029609      5.987883      6.608427
  O     -10.864582      7.177469      6.865901
  C      -9.919054      5.012841      6.886907
  C      -8.881962      5.506585      7.686335
  C      -7.757242      4.749160      7.999877
  O      -6.797615      5.299787      8.770083
  C      -7.638790      3.433630      7.456906
  C      -6.388494      2.701839      7.653530
  O      -5.487589      3.168041      8.383986
  C      -6.128568      1.389088      6.904682
  C      -8.685686      2.931554      6.666719
  C      -9.822493      3.684937      6.382688
  O     -10.746862      3.064735      5.597055
  H      -0.106967      0.526745     -1.879068
  H      -0.616825     -0.056147     -3.505421
  H      -0.294517     -1.198926     -2.149895
  H      -4.623149     -0.112302     -1.234579
  H      -6.035464     -0.614838      2.000260
  H      -4.020099     -1.200439      5.392961
  H      -2.657358     -1.796759      4.405189
  H      -1.591816     -0.894339      2.609249
  H       0.056064     -0.815421      1.149542
  H      -9.386180      9.503924      6.044788
  H      -8.398258     10.155629      4.716295
  H     -10.186594     10.111668      4.564983
  H      -6.951638      8.783512      5.711034
  H      -4.948515      8.260263      6.572511
  H      -3.077823      5.670901      5.535418
  H      -3.804605      5.303515      7.090083
  H      -7.123071      4.092590      4.083634
  H      -9.817988      6.297341      3.359051
  H     -12.218137      5.331579      4.939545
  H     -12.729117      4.621838      6.514565
  H     -13.076463      6.333204      6.116180
  H      -8.961669      6.526117      8.063140
  H      -6.089450      4.584508      8.844663
  H      -6.577519      1.441842      5.905751
  H      -6.660412      0.580592      7.442743
  H      -8.630986      1.932748      6.234897
  H     -11.457873      3.682966      5.352017
  N      -3.782289      2.111484      3.513923
  H      -3.355845      1.512050      2.811486
  H      -4.458434      2.751942      3.098870
95
Coordinates from ORCA-job orca E -6661.014547120839
  N      -2.543788      0.242549      4.896115
  Mo     -3.525573      1.924403      5.483278
  N      -4.715442      1.075858      6.814671
  C      -4.170186      0.467118      8.034498
  C      -2.688159      0.191338      7.855271
  N      -2.058195      1.335400      7.140118
  C      -0.813441      0.933568      6.447741
  C      -1.175510     -0.021072      5.307912
  C      -1.829004      2.500293      8.033027
  C      -1.735808      3.727504      7.149594
  N      -2.836823      3.640105      6.188972
  H      -0.452577      0.120403      4.481903
  H      -1.075145     -1.071291      5.632897
  H      -0.342222      1.844089      6.058194
  H      -0.113177      0.464176      7.158768
  H      -1.828708      4.635785      7.764882
  H      -0.763694      3.793707      6.632259
  H      -2.710669      2.592430      8.680122
  H      -0.933201      2.341659      8.656413
  H      -4.694738     -0.478608      8.260760
  H      -4.343737      1.144664      8.887481
  H      -2.543694     -0.703323      7.241071
  H      -2.186969      0.025509      8.822888
  C      -0.716520     -0.198943     -2.439058
  C      -2.166076     -0.102503     -2.049915
  O      -3.023044      0.144155     -2.891295
  C      -2.598751     -0.314993     -0.611872
  C      -3.975384     -0.292478     -0.385743
  C      -4.530094     -0.483172      0.882809
  O      -5.866079     -0.457178      1.020531
  C      -3.659515     -0.680613      1.994071
  C      -4.233081     -0.829147      3.330557
  O      -5.466460     -0.899870      3.501617
  C      -3.329164     -0.942710      4.558089
  C      -2.268418     -0.704873      1.764648
  C      -1.731203     -0.535748      0.494493
  O      -0.377879     -0.571027      0.293209
  C      -9.294493      9.590161      4.939014
  C      -9.253650      8.209826      4.356939
  O     -10.207383      7.791885      3.671603
  C      -8.101244      7.320398      4.619039
  C      -6.975155      7.759798      5.330876
  C      -5.901451      6.915067      5.591865
  O      -4.801888      7.336185      6.276984
  C      -5.954440      5.562422      5.152212
  C      -4.922785      4.582043      5.457262
  O      -5.140090      3.361356      5.203493
  C      -3.607540      4.866366      6.083702
  C      -7.079356      5.121926      4.432216
  C      -8.144596      5.973299      4.148123
  O      -9.195542      5.499046      3.460534
  C     -12.339048      5.517227      6.006017
  C     -11.028683      5.983362      6.594269
  O     -10.866196      7.174267      6.846550
  C      -9.916648      5.010845      6.878183
  C      -8.881286      5.510480      7.676384
  C      -7.756519      4.755471      7.997214
  O      -6.799423      5.310775      8.766996
  C      -7.636108      3.436760      7.462198
  C      -6.387575      2.703522      7.665913
  O      -5.486130      3.170533      8.395423
  C      -6.129835      1.387464      6.922998
  C      -8.680771      2.929798      6.671877
  C      -9.817763      3.680144      6.381600
  O     -10.737762      3.055104      5.594770
  H      -0.118344      0.549323     -1.899777
  H      -0.633618     -0.044898     -3.520236
  H      -0.303549     -1.178369     -2.158229
  H      -4.632668     -0.127552     -1.240302
  H      -6.034854     -0.650949      1.996476
  H      -4.012853     -1.208368      5.386902
  H      -2.651410     -1.798719      4.395109
  H      -1.587981     -0.861346      2.603764
  H       0.057394     -0.756529      1.144935
  H      -9.348357      9.514277      6.036345
  H      -8.393976     10.166715      4.684525
  H     -10.184431     10.110474      4.571164
  H      -6.935863      8.786855      5.698043
  H      -4.931730      8.262436      6.553587
  H      -3.074091      5.659136      5.523465
  H      -3.797045      5.305730      7.083058
  H      -7.127045      4.088402      4.092918
  H      -9.815518      6.300980      3.362882
  H     -12.214740      5.315174      4.926095
  H     -12.726184      4.615505      6.505189
  H     -13.074704      6.324225      6.095249
  H      -8.963144      6.531938      8.047660
  H      -6.093201      4.594915      8.852322
  H      -6.582251      1.434066      5.925411
  H      -6.659521      0.582033      7.467748
  H      -8.623771      1.928764      6.245261
  H     -11.455717      3.666829      5.353727
  N      -3.816072      2.100622      3.529332
  H      -3.383310      1.510734      2.823080
  H      -4.505840      2.730509      3.120743
95
Coordinates from ORCA-job orca E -6661.014593867581
  N      -2.546655      0.241881      4.891088
  Mo     -3.526653      1.926950      5.480632
  N      -4.719222      1.085247      6.813388
  C      -4.175505      0.479098      8.035354
  C      -2.695166      0.196526      7.856137
  N      -2.060318      1.336069      7.137556
  C      -0.817568      0.928329      6.444336
  C      -1.182791     -0.030368      5.310290
  C      -1.824756      2.502570      8.027125
  C      -1.731503      3.728685      7.142425
  N      -2.834489      3.641827      6.183989
  H      -0.454448      0.097007      4.486536
  H      -1.092887     -1.078859      5.644678
  H      -0.345362      1.836470      6.049973
  H      -0.116304      0.460803      7.155717
  H      -1.822117      4.637401      7.757494
  H      -0.760098      3.793549      6.623414
  H      -2.702724      2.598980      8.678830
  H      -0.926976      2.342837      8.647481
  H      -4.703966     -0.463694      8.264922
  H      -4.346206      1.159945      8.886309
  H      -2.555117     -0.700812      7.244569
  H      -2.194451      0.031140      8.824160
  C      -0.688831     -0.239353     -2.442780
  C      -2.137334     -0.115302     -2.057075
  O      -2.987634      0.147098     -2.900471
  C      -2.577843     -0.323261     -0.620656
  C      -3.955590     -0.295322     -0.401714
  C      -4.517210     -0.480221      0.864902
  O      -5.853128     -0.447328      0.996159
  C      -3.653303     -0.678764      1.980963
  C      -4.232089     -0.822628      3.315049
  O      -5.466713     -0.891874      3.481512
  C      -3.335036     -0.940025      4.547808
  C      -2.260913     -0.708615      1.758675
  C      -1.716653     -0.543959      0.490537
  O      -0.362010     -0.583123      0.296514
  C      -9.296505      9.593271      4.965564
  C      -9.257778      8.214844      4.378177
  O     -10.212386      7.802516      3.690772
  C      -8.102531      7.325933      4.629544
  C      -6.974727      7.764145      5.339790
  C      -5.897629      6.920571      5.592510
  O      -4.795715      7.342454      6.273323
  C      -5.949831      5.569443      5.147939
  C      -4.919279      4.587020      5.451446
  O      -5.139624      3.367293      5.197924
  C      -3.602168      4.870056      6.075706
  C      -7.075729      5.130639      4.428723
  C      -8.142750      5.981479      4.149658
  O      -9.191354      5.508858      3.458305
  C     -12.364921      5.504486      6.036065
  C     -11.050521      5.978365      6.609361
  O     -10.890893      7.170434      6.857323
  C      -9.932501      5.010258      6.886541
  C      -8.893240      5.515825      7.675944
  C      -7.763189      4.765902      7.990191
  O      -6.801067      5.327573      8.749078
  C      -7.642154      3.445640      7.459495
  C      -6.390579      2.716221      7.658623
  O      -5.489254      3.184650      8.387388
  C      -6.133648      1.397669      6.920032
  C      -8.690503      2.932933      6.677369
  C      -9.831432      3.678949      6.391822
  O     -10.751611      3.050458      5.607711
  H      -0.079409      0.504017     -1.909204
  H      -0.600804     -0.096804     -3.525176
  H      -0.292543     -1.222885     -2.151382
  H      -4.607972     -0.129336     -1.259878
  H      -6.027253     -0.634823      1.972716
  H      -4.023797     -1.203877      5.372970
  H      -2.660911     -1.799693      4.387977
  H      -1.585373     -0.866369      2.601824
  H       0.068130     -0.767576      1.151118
  H      -9.330059      9.516318      6.063693
  H      -8.403618     10.175507      4.696083
  H     -10.195263     10.109878      4.614213
  H      -6.936398      8.789643      5.711878
  H      -4.927749      8.266647      6.556014
  H      -3.068268      5.659993      5.511817
  H      -3.789920      5.313703      7.073487
  H      -7.122314      4.098223      4.085448
  H      -9.813135      6.309198      3.363888
  H     -12.252420      5.298958      4.955418
  H     -12.741821      4.601995      6.542009
  H     -13.103322      6.308399      6.131197
  H      -8.976764      6.537771      8.045823
  H      -6.092284      4.614575      8.833355
  H      -6.585367      1.441861      5.921995
  H      -6.664508      0.593863      7.466232
  H      -8.632300      1.931209      6.252313
  H     -11.474170      3.658101      5.369882
  N      -3.817520      2.098920      3.526406
  H      -3.378531      1.509618      2.823610
  H      -4.511133      2.721784      3.113807
95
Coordinates from ORCA-job orca E -6661.014619825632
  N      -2.546247      0.234601      4.890891
  Mo     -3.526568      1.923009      5.481100
  N      -4.719516      1.088801      6.816020
  C      -4.175668      0.486833      8.040923
  C      -2.696575      0.199208      7.861257
  N      -2.059542      1.334932      7.138241
  C      -0.818683      0.923299      6.443213
  C      -1.186834     -0.044249      5.319528
  C      -1.818923      2.504418      8.022575
  C      -1.727254      3.728281      7.134336
  N      -2.831820      3.639683      6.177635
  H      -0.452805      0.064626      4.497957
  H      -1.107781     -1.089128      5.668639
  H      -0.349095      1.829246      6.040183
  H      -0.113337      0.461878      7.154669
  H      -1.816914      4.638284      7.747746
  H      -0.756499      3.792338      6.613770
  H      -2.692206      2.604979      8.680087
  H      -0.918361      2.345778      8.639350
  H      -4.707134     -0.453041      8.275313
  H      -4.343626      1.172218      8.888608
  H      -2.559628     -0.700862      7.252751
  H      -2.195905      0.035565      8.829655
  C      -0.689375     -0.232298     -2.443392
  C      -2.136525     -0.099775     -2.055183
  O      -2.985675      0.175768     -2.895495
  C      -2.577511     -0.316126     -0.619840
  C      -3.956082     -0.308573     -0.404619
  C      -4.518107     -0.501713      0.860876
  O      -5.854195     -0.490040      0.988433
  C      -3.654131     -0.687986      1.979196
  C      -4.231263     -0.838715      3.312734
  O      -5.465883     -0.912375      3.480329
  C      -3.334987     -0.947043      4.547913
  C      -2.260644     -0.697438      1.760237
  C      -1.715892     -0.524396      0.493117
  O      -0.360058     -0.541881      0.301714
  C      -9.290397      9.597321      4.972638
  C      -9.258160      8.216983      4.388879
  O     -10.213257      7.808750      3.699892
  C      -8.103788      7.325981      4.636615
  C      -6.972861      7.763365      5.342182
  C      -5.894239      6.919583      5.589670
  O      -4.788915      7.341864      6.264718
  C      -5.948540      5.568615      5.145246
  C      -4.918186      4.584894      5.446689
  O      -5.140904      3.365432      5.195490
  C      -3.598078      4.868781      6.065502
  C      -7.078360      5.130013      4.431833
  C      -8.146109      5.981266      4.156309
  O      -9.197465      5.508021      3.470237
  C     -12.366694      5.504063      6.031314
  C     -11.053505      5.980341      6.606032
  O     -10.896690      7.171701      6.857268
  C      -9.934535      5.012678      6.882845
  C      -8.898279      5.516480      7.677379
  C      -7.768548      4.766397      7.991932
  O      -6.807012      5.326418      8.753184
  C      -7.645846      3.447150      7.460082
  C      -6.393870      2.719320      7.661301
  O      -5.492435      3.193547      8.385980
  C      -6.134557      1.401000      6.923186
  C      -8.691622      2.935649      6.673402
  C      -9.830283      3.683387      6.383574
  O     -10.744441      3.059558      5.588666
  H      -0.076621      0.513898     -1.917363
  H      -0.602647     -0.098818     -3.527082
  H      -0.295249     -1.214592     -2.144044
  H      -4.608717     -0.151599     -1.264348
  H      -6.027890     -0.681788      1.964830
  H      -4.024980     -1.210204      5.372237
  H      -2.662328     -1.808735      4.391265
  H      -1.585006     -0.845124      2.605359
  H       0.071080     -0.719301      1.157353
  H      -9.299084      9.528849      6.071724
  H      -8.405577     10.181498      4.680004
  H     -10.198003     10.108957      4.636953
  H      -6.932752      8.788931      5.714529
  H      -4.921342      8.264933      6.551162
  H      -3.066005      5.654601      5.493994
  H      -3.781490      5.319396      7.060823
  H      -7.127414      4.096700      4.091313
  H      -9.823444      6.305411      3.383715
  H     -12.255017      5.301402      4.949952
  H     -12.739846      4.598416      6.534686
  H     -13.107637      6.305342      6.129723
  H      -8.984331      6.536959      8.051068
  H      -6.100937      4.611958      8.842193
  H      -6.585910      1.445042      5.924915
  H      -6.664854      0.596446      7.468753
  H      -8.631093      1.935357      6.245079
  H     -11.466067      3.668055      5.349299
  N      -3.822605      2.088504      3.525847
  H      -3.381935      1.496787      2.826154
  H      -4.513358      2.711661      3.109071
95
Coordinates from ORCA-job orca E -6661.014655913835
  N      -2.549404      0.227888      4.892284
  Mo     -3.526225      1.920612      5.480009
  N      -4.721783      1.092389      6.816571
  C      -4.177636      0.493665      8.042816
  C      -2.699495      0.201425      7.862557
  N      -2.059654      1.333447      7.136517
  C      -0.820348      0.916649      6.441663
  C      -1.191823     -0.055030      5.323248
  C      -1.813899      2.503720      8.017823
  C      -1.724090      3.726508      7.127603
  N      -2.831426      3.637721      6.174743
  H      -0.456244      0.045797      4.501903
  H      -1.117529     -1.098338      5.678198
  H      -0.349796      1.820304      6.034518
  H      -0.114783      0.457060      7.154065
  H      -1.811216      4.637043      7.740617
  H      -0.754834      3.789547      6.604152
  H      -2.683349      2.606139      8.679997
  H      -0.910721      2.344700      8.630573
  H      -4.711122     -0.443955      8.281707
  H      -4.342559      1.182548      8.888208
  H      -2.565317     -0.700340      7.256149
  H      -2.198927      0.038729      8.831142
  C      -0.681919     -0.241353     -2.440218
  C      -2.126380     -0.085200     -2.051473
  O      -2.970070      0.213007     -2.889509
  C      -2.570926     -0.306041     -0.618247
  C      -3.949746     -0.292485     -0.404723
  C      -4.513948     -0.487201      0.859382
  O      -5.850142     -0.466840      0.987250
  C      -3.652067     -0.682237      1.977515
  C      -4.232753     -0.837171      3.308668
  O      -5.468014     -0.910091      3.471941
  C      -3.340286     -0.950718      4.546190
  C      -2.258300     -0.696971      1.760442
  C      -1.711620     -0.522277      0.494617
  O      -0.355973     -0.544687      0.303515
  C      -9.291041      9.593690      4.970440
  C      -9.257688      8.213500      4.386671
  O     -10.215879      7.801008      3.704508
  C      -8.102608      7.323873      4.633578
  C      -6.971172      7.760764      5.338384
  C      -5.892807      6.916714      5.585516
  O      -4.786497      7.338730      6.259311
  C      -5.948169      5.565658      5.142194
  C      -4.917335      4.581802      5.441691
  O      -5.139341      3.362812      5.187835
  C      -3.597413      4.866358      6.060846
  C      -7.078802      5.127580      4.429178
  C      -8.145672      5.979435      4.153389
  O      -9.197520      5.507688      3.466786
  C     -12.375207      5.498663      6.044425
  C     -11.060646      5.978518      6.613120
  O     -10.903521      7.170782      6.859275
  C      -9.939688      5.012988      6.887926
  C      -8.901591      5.519569      7.678111
  C      -7.769779      4.771973      7.989848
  O      -6.805902      5.336603      8.744571
  C      -7.647601      3.451040      7.461621
  C      -6.394841      2.723991      7.661088
  O      -5.491524      3.199742      8.382206
  C      -6.136168      1.405445      6.923017
  C      -8.695983      2.936410      6.680452
  C      -9.835804      3.682746      6.391883
  O     -10.753967      3.055397      5.604368
  H      -0.058049      0.496646     -1.915763
  H      -0.593477     -0.110605     -3.523994
  H      -0.302301     -1.228694     -2.139229
  H      -4.600654     -0.127974     -1.264203
  H      -6.024828     -0.654538      1.964089
  H      -4.033555     -1.213536      5.367857
  H      -2.669904     -1.814171      4.389865
  H      -1.584746     -0.851016      2.605762
  H       0.074345     -0.726710      1.158515
  H      -9.285625      9.528611      6.069523
  H      -8.413220     10.182029      4.665451
  H     -10.205279     10.099589      4.644323
  H      -6.930544      8.786188      5.710782
  H      -4.919304      8.260976      6.547944
  H      -3.066095      5.651078      5.486930
  H      -3.780008      5.319617      7.055050
  H      -7.128613      4.094319      4.089091
  H      -9.822036      6.305745      3.379658
  H     -12.268203      5.297384      4.962413
  H     -12.742588      4.591226      6.548283
  H     -13.118051      6.297549      6.147070
  H      -8.987654      6.540709      8.049717
  H      -6.096999      4.624611      8.830836
  H      -6.586569      1.450969      5.924264
  H      -6.668292      0.601053      7.466977
  H      -8.636797      1.934485      6.256043
  H     -11.476045      3.663234      5.365209
  N      -3.815943      2.082868      3.523910
  H      -3.375413      1.487033      2.827464
  H      -4.504951      2.705491      3.103192
95
Coordinates from ORCA-job orca E -6661.014680483832
  N      -2.547272      0.232785      4.890176
  Mo     -3.525336      1.924487      5.480722
  N      -4.722298      1.092845      6.814423
  C      -4.178480      0.492862      8.040068
  C      -2.700407      0.201700      7.860173
  N      -2.060496      1.335452      7.136742
  C      -0.820452      0.920168      6.442363
  C      -1.191521     -0.053324      5.325897
  C      -1.815186      2.503805      8.020543
  C      -1.726841      3.728634      7.132879
  N      -2.834047      3.641046      6.180253
  H      -0.453124      0.043243      4.506527
  H      -1.121231     -1.095976      5.683470
  H      -0.351927      1.824376      6.034153
  H      -0.113920      0.462809      7.155250
  H      -1.814934      4.637615      7.748150
  H      -0.757693      3.793993      6.609604
  H      -2.684053      2.603400      8.683743
  H      -0.911272      2.343894      8.631970
  H      -4.711612     -0.445160      8.278101
  H      -4.343632      1.181022      8.886019
  H      -2.565539     -0.698497      7.251885
  H      -2.200517      0.037132      8.828776
  C      -0.682186     -0.264804     -2.449599
  C      -2.123087     -0.089019     -2.056382
  O      -2.965033      0.221809     -2.891582
  C      -2.567393     -0.308850     -0.623057
  C      -3.946245     -0.296963     -0.409958
  C      -4.510465     -0.490668      0.854109
  O      -5.847136     -0.475220      0.981589
  C      -3.648171     -0.680014      1.972998
  C      -4.230379     -0.830163      3.304387
  O      -5.465244     -0.909064      3.465555
  C      -3.338423     -0.944710      4.541982
  C      -2.254359     -0.693331      1.756450
  C      -1.707881     -0.521561      0.490456
  O      -0.352439     -0.540869      0.299214
  C      -9.289895      9.597512      4.967367
  C      -9.259573      8.215695      4.387847
  O     -10.217282      7.803256      3.704890
  C      -8.105188      7.325570      4.636498
  C      -6.974517      7.762230      5.342281
  C      -5.897252      6.917916      5.591881
  O      -4.791998      7.339413      6.267917
  C      -5.952295      5.566850      5.148940
  C      -4.920155      4.583606      5.446122
  O      -5.139853      3.365022      5.187431
  C      -3.601679      4.868304      6.067852
  C      -7.082316      5.128734      4.434552
  C      -8.148793      5.980629      4.157793
  O      -9.200565      5.508952      3.470532
  C     -12.375034      5.500536      6.046605
  C     -11.059181      5.978875      6.613596
  O     -10.900287      7.170970      6.859442
  C      -9.939468      5.012402      6.889464
  C      -8.902172      5.517744      7.681486
  C      -7.770961      4.769613      7.993741
  O      -6.808623      5.333778      8.750805
  C      -7.648208      3.449340      7.463356
  C      -6.395297      2.722100      7.661646
  O      -5.492989      3.194728      8.385997
  C      -6.136445      1.405195      6.920444
  C      -8.695984      2.935833      6.680833
  C      -9.835726      3.682505      6.392577
  O     -10.754891      3.055145      5.606357
  H      -0.049248      0.472126     -1.934604
  H      -0.597139     -0.143776     -3.534781
  H      -0.310494     -1.252738     -2.141531
  H      -4.597358     -0.135434     -1.269856
  H      -6.021277     -0.663251      1.958342
  H      -4.032405     -1.209070      5.362649
  H      -2.667900     -1.807892      4.384516
  H      -1.581009     -0.842582      2.602584
  H       0.078727     -0.719058      1.154594
  H      -9.274950      9.538516      6.066466
  H      -8.414800     10.184409      4.651760
  H     -10.206793     10.101379      4.645564
  H      -6.933884      8.787865      5.714001
  H      -4.925476      8.261313      6.557244
  H      -3.071084      5.654487      5.495029
  H      -3.784833      5.320276      7.062466
  H      -7.131741      4.095632      4.094156
  H      -9.823582      6.308323      3.380958
  H     -12.269573      5.302249      4.963887
  H     -12.741826      4.592158      6.548916
  H     -13.117509      6.299344      6.152162
  H      -8.988148      6.538612      8.053718
  H      -6.098637      4.622318      8.834824
  H      -6.585769      1.454533      5.921363
  H      -6.669476      0.599084      7.460896
  H      -8.637167      1.933928      6.256356
  H     -11.476157      3.663909      5.367529
  N      -3.808982      2.088391      3.524570
  H      -3.367335      1.492285      2.829102
  H      -4.497200      2.710934      3.102492
95
Coordinates from ORCA-job orca E -6661.014702502795
  N      -2.543702      0.228833      4.892702
  Mo     -3.521657      1.921861      5.483415
  N      -4.721691      1.092175      6.815152
  C      -4.179293      0.494452      8.042499
  C      -2.701581      0.200272      7.863959
  N      -2.059540      1.332408      7.139987
  C      -0.819262      0.915312      6.446745
  C      -1.191132     -0.063070      5.335599
  C      -1.812489      2.500134      8.024149
  C      -1.725424      3.725391      7.136851
  N      -2.833377      3.637967      6.185473
  H      -0.448761      0.023744      4.518699
  H      -1.128383     -1.103776      5.700117
  H      -0.352629      1.818426      6.033938
  H      -0.111620      0.462135      7.161196
  H      -1.813463      4.633970      7.752828
  H      -0.756766      3.791441      6.612895
  H      -2.679776      2.599031      8.689410
  H      -0.907162      2.339684      8.633332
  H      -4.713944     -0.441984      8.283191
  H      -4.343204      1.185445      8.886392
  H      -2.568221     -0.700542      7.256568
  H      -2.202938      0.035554      8.833157
  C      -0.695155     -0.263728     -2.455053
  C      -2.129769     -0.060292     -2.052314
  O      -2.968023      0.283399     -2.878359
  C      -2.572150     -0.290482     -0.620487
  C      -3.950722     -0.282704     -0.405705
  C      -4.513029     -0.485145      0.857667
  O      -5.849949     -0.475029      0.986273
  C      -3.648612     -0.676644      1.974890
  C      -4.229913     -0.832693      3.306631
  O      -5.464219     -0.913793      3.468496
  C      -3.336275     -0.947137      4.542766
  C      -2.255072     -0.685167      1.756626
  C      -1.710710     -0.506901      0.490876
  O      -0.355811     -0.520176      0.297201
  C      -9.281480      9.597621      4.947357
  C      -9.254967      8.212399      4.376312
  O     -10.211959      7.799075      3.692863
  C      -8.102627      7.321314      4.631383
  C      -6.972498      7.759172      5.337111
  C      -5.896642      6.914882      5.591566
  O      -4.791686      7.338221      6.267217
  C      -5.951755      5.562445      5.152758
  C      -4.918952      4.579712      5.449316
  O      -5.136648      3.361520      5.186196
  C      -3.601697      4.864476      6.073338
  C      -7.081245      5.123010      4.438006
  C      -8.146988      5.974535      4.158025
  O      -9.198444      5.501494      3.470737
  C     -12.380053      5.495419      6.052773
  C     -11.060659      5.975664      6.609848
  O     -10.897306      7.169921      6.842772
  C      -9.941166      5.009936      6.887833
  C      -8.901642      5.518332      7.675057
  C      -7.770129      4.771182      7.988232
  O      -6.808073      5.337589      8.744124
  C      -7.647830      3.449435      7.461009
  C      -6.393492      2.724229      7.657435
  O      -5.489256      3.199868      8.377320
  C      -6.135549      1.405095      6.919299
  C      -8.697417      2.933051      6.683015
  C      -9.838879      3.677873      6.396314
  O     -10.761063      3.046743      5.616681
  H      -0.047640      0.466616     -1.948746
  H      -0.616123     -0.147934     -3.541295
  H      -0.335938     -1.255410     -2.144950
  H      -4.603498     -0.117186     -1.263591
  H      -6.022399     -0.668125      1.962198
  H      -4.029395     -1.213675      5.363666
  H      -2.665855     -1.809928      4.382380
  H      -1.580526     -0.834747      2.601659
  H       0.078110     -0.699784      1.150880
  H      -9.252009      9.549144      6.046407
  H      -8.410933     10.182111      4.614642
  H     -10.202504     10.097784      4.631578
  H      -6.930952      8.786440      5.704170
  H      -4.925589      8.260756      6.554301
  H      -3.071266      5.650610      5.499996
  H      -3.784148      5.316699      7.067820
  H      -7.130413      4.089326      4.099447
  H      -9.819181      6.302435      3.375887
  H     -12.279605      5.292325      4.970464
  H     -12.745286      4.590136      6.561535
  H     -13.121239      6.295471      6.157848
  H      -8.986451      6.540676      8.043360
  H      -6.097377      4.626693      8.828360
  H      -6.583904      1.454354      5.919782
  H      -6.669849      0.600076      7.460021
  H      -8.639780      1.929437      6.262442
  H     -11.481766      3.655477      5.376335
  N      -3.801818      2.087025      3.527075
  H      -3.357691      1.492352      2.832052
  H      -4.489334      2.709868      3.104293
95
Coordinates from ORCA-job orca E -6661.014717735124
  N      -2.538393      0.226400      4.894939
  Mo     -3.517374      1.920205      5.485346
  N      -4.720681      1.091172      6.814770
  C      -4.180403      0.495931      8.044226
  C      -2.702905      0.200625      7.868471
  N      -2.059245      1.331854      7.143912
  C      -0.818272      0.913287      6.452388
  C      -1.189736     -0.071044      5.347296
  C      -1.812123      2.500204      8.027944
  C      -1.725298      3.725182      7.140167
  N      -2.832514      3.637027      6.188082
  H      -0.442547      0.004848      4.533711
  H      -1.135452     -1.109363      5.719938
  H      -0.354354      1.815292      6.033969
  H      -0.109192      0.465741      7.168950
  H      -1.814069      4.634062      7.755667
  H      -0.756233      3.791305      6.616987
  H      -2.679057      2.598888      8.693642
  H      -0.906410      2.339854      8.636558
  H      -4.716003     -0.439426      8.286817
  H      -4.344681      1.189532      8.885972
  H      -2.569672     -0.700994      7.262311
  H      -2.205915      0.036626      8.838621
  C      -0.708464     -0.276275     -2.462023
  C      -2.134351     -0.035020     -2.049074
  O      -2.966748      0.342889     -2.866059
  C      -2.576256     -0.273256     -0.618837
  C      -3.954589     -0.269077     -0.403237
  C      -4.515572     -0.478302      0.859721
  O      -5.852521     -0.472235      0.988079
  C      -3.649619     -0.671225      1.975865
  C      -4.228846     -0.832090      3.308503
  O      -5.462384     -0.917227      3.472818
  C      -3.331997     -0.948057      4.542093
  C      -2.256234     -0.675122      1.756506
  C      -1.713384     -0.491772      0.490910
  O      -0.358815     -0.499314      0.295137
  C      -9.278304      9.594576      4.935068
  C      -9.255285      8.206230      4.371267
  O     -10.213683      7.790653      3.691314
  C      -8.103927      7.314696      4.629649
  C      -6.972403      7.754929      5.331612
  C      -5.896373      6.911375      5.587182
  O      -4.790966      7.336358      6.261058
  C      -5.951321      5.558015      5.151358
  C      -4.917470      4.576598      5.447865
  O      -5.133317      3.358187      5.183235
  C      -3.601632      4.862658      6.073934
  C      -7.082155      5.116144      4.440174
  C      -8.149527      5.966088      4.161558
  O      -9.203887      5.489796      3.480580
  C     -12.378457      5.495665      6.052763
  C     -11.058299      5.975911      6.607830
  O     -10.895166      7.170018      6.841759
  C      -9.939646      5.009836      6.887336
  C      -8.902473      5.515731      7.679370
  C      -7.771648      4.767486      7.993193
  O      -6.811840      5.330959      8.754334
  C      -7.647366      3.448196      7.460459
  C      -6.392992      2.723412      7.656955
  O      -5.490348      3.197640      8.379776
  C      -6.134326      1.405189      6.916996
  C      -8.694065      2.934771      6.676774
  C      -9.835439      3.679903      6.390672
  O     -10.755091      3.052295      5.605178
  H      -0.042330      0.447373     -1.970182
  H      -0.636570     -0.172622     -3.550048
  H      -0.365848     -1.271132     -2.143810
  H      -4.608578     -0.100091     -1.259519
  H      -6.024505     -0.667732      1.963647
  H      -4.022877     -1.218542      5.363799
  H      -2.661731     -1.810095      4.376345
  H      -1.580704     -0.824157      2.600996
  H       0.077595     -0.678953      1.147516
  H      -9.227936      9.556162      6.033529
  H      -8.415666     10.178642      4.580951
  H     -10.206019     10.089538      4.630948
  H      -6.929814      8.783678      5.694460
  H      -4.925032      8.259388      6.546478
  H      -3.071308      5.648145      5.499272
  H      -3.784114      5.316594      7.067475
  H      -7.131580      4.081545      4.104445
  H      -9.825299      6.290375      3.385228
  H     -12.279416      5.297363      4.969408
  H     -12.741699      4.588099      6.558836
  H     -13.120456      6.294440      6.162038
  H      -8.988026      6.537008      8.050435
  H      -6.099941      4.620814      8.834786
  H      -6.580964      1.457369      5.916820
  H      -6.670259      0.599510      7.454963
  H      -8.634245      1.933304      6.251361
  H     -11.473290      3.663498      5.363134
  N      -3.794068      2.083737      3.528742
  H      -3.346837      1.490897      2.834187
  H      -4.480651      2.707015      3.105103
95
Coordinates from ORCA-job orca E -6661.014730691269
  N      -2.535709      0.226271      4.896907
  Mo     -3.512739      1.921634      5.486532
  N      -4.719448      1.093856      6.814007
  C      -4.181648      0.499599      8.044908
  C      -2.704186      0.201982      7.871547
  N      -2.058127      1.331669      7.146447
  C      -0.817048      0.910611      6.456205
  C      -1.188695     -0.074352      5.351906
  C      -1.809759      2.499872      8.031005
  C      -1.722125      3.725034      7.143546
  N      -2.829666      3.637587      6.191711
  H      -0.440295     -0.001438      4.539243
  H      -1.137841     -1.112264      5.726219
  H      -0.352265      1.811576      6.036317
  H      -0.108990      0.463557      7.174007
  H      -1.809768      4.634098      7.758876
  H      -0.753092      3.789918      6.620060
  H      -2.676654      2.599207      8.696696
  H      -0.904072      2.338483      8.639255
  H      -4.718621     -0.434853      8.288003
  H      -4.346256      1.194460      8.885583
  H      -2.571729     -0.700757      7.266760
  H      -2.208623      0.038554      8.842478
  C      -0.717385     -0.295269     -2.467105
  C      -2.136630     -0.025580     -2.048437
  O      -2.963138      0.376620     -2.859765
  C      -2.578819     -0.265745     -0.619179
  C      -3.956893     -0.257906     -0.402026
  C      -4.516656     -0.468714      0.861359
  O      -5.853372     -0.460197      0.991242
  C      -3.650105     -0.666009      1.975849
  C      -4.228366     -0.825761      3.308947
  O      -5.462095     -0.905559      3.474478
  C      -3.330489     -0.946655      4.541354
  C      -2.256980     -0.673183      1.754862
  C      -1.715140     -0.488894      0.488826
  O      -0.360871     -0.498548      0.290841
  C      -9.277884      9.592332      4.935070
  C      -9.253574      8.203559      4.371922
  O     -10.209363      7.788930      3.687828
  C      -8.101595      7.313028      4.630654
  C      -6.970897      7.753831      5.334015
  C      -5.893921      6.911122      5.588886
  O      -4.789458      7.336426      6.264039
  C      -5.946678      5.558337      5.150767
  C      -4.912640      4.577681      5.447938
  O      -5.126680      3.359442      5.180587
  C      -3.598390      4.863643      6.077420
  C      -7.076260      5.116363      4.437828
  C      -8.144543      5.965350      4.159880
  O      -9.197426      5.488838      3.476830
  C     -12.385389      5.486691      6.055097
  C     -11.065344      5.970301      6.607433
  O     -10.903838      7.165251      6.838658
  C      -9.944714      5.006573      6.886279
  C      -8.907495      5.514467      7.676897
  C      -7.775293      4.767810      7.990114
  O      -6.815791      5.332124      8.750924
  C      -7.649403      3.448863      7.457248
  C      -6.393799      2.726331      7.653134
  O      -5.489872      3.204780      8.371641
  C      -6.133304      1.408171      6.913523
  C      -8.695959      2.933677      6.674435
  C      -9.839042      3.676627      6.389894
  O     -10.759145      3.047276      5.606151
  H      -0.037732      0.422622     -1.985186
  H      -0.649420     -0.200616     -3.556239
  H      -0.388292     -1.292514     -2.142371
  H      -4.611734     -0.084479     -1.256734
  H      -6.024899     -0.658251      1.966137
  H      -4.020244     -1.218806      5.363441
  H      -2.661098     -1.808744      4.372074
  H      -1.580777     -0.824710      2.598483
  H       0.076946     -0.679929      1.142088
  H      -9.223357      9.555167      6.033329
  H      -8.417421     10.177303      4.576814
  H     -10.207221     10.085697      4.633455
  H      -6.929561      8.782283      5.697840
  H      -4.924369      8.259178      6.549924
  H      -3.066877      5.649497      5.504320
  H      -3.782411      5.316642      7.071063
  H      -7.123830      4.082510      4.099556
  H      -9.818983      6.289038      3.380702
  H     -12.288086      5.291599      4.970960
  H     -12.744485      4.576712      6.559666
  H     -13.129601      6.282962      6.167739
  H      -8.993944      6.535860      8.047487
  H      -6.102595      4.623259      8.830232
  H      -6.578364      1.460324      5.912619
  H      -6.670181      0.602645      7.450740
  H      -8.634361      1.932748      6.248056
  H     -11.477056      3.658113      5.362208
  N      -3.783772      2.088181      3.529068
  H      -3.335594      1.496853      2.833851
  H      -4.468571      2.713738      3.105801
95
Coordinates from ORCA-job orca E -6661.014746153668
  N      -2.529380      0.229383      4.901354
  Mo     -3.505208      1.925101      5.490536
  N      -4.714777      1.094990      6.814630
  C      -4.180466      0.500624      8.046841
  C      -2.702629      0.203141      7.876904
  N      -2.055075      1.332889      7.152669
  C      -0.813195      0.911080      6.464201
  C      -1.183637     -0.073187      5.358884
  C      -1.807586      2.500673      8.038738
  C      -1.717548      3.726337      7.152318
  N      -2.823997      3.640103      6.198794
  H      -0.434183     -0.000824      4.547256
  H      -1.135022     -1.111270      5.733152
  H      -0.347561      1.811715      6.044326
  H      -0.106551      0.463838      7.183207
  H      -1.804748      4.635541      7.767397
  H      -0.747767      3.789733      6.629895
  H      -2.676273      2.600242      8.702103
  H      -0.903374      2.337999      8.648715
  H      -4.717971     -0.434014      8.288179
  H      -4.347433      1.195150      8.887358
  H      -2.569139     -0.700015      7.272742
  H      -2.208721      0.040233      8.848713
  C      -0.743963     -0.320065     -2.478124
  C      -2.153526     -0.017589     -2.048570
  O      -2.974768      0.412372     -2.850849
  C      -2.591942     -0.257181     -0.618507
  C      -3.969065     -0.244161     -0.396049
  C      -4.524121     -0.454723      0.869764
  O      -5.860055     -0.440679      1.005261
  C      -3.654056     -0.657042      1.980082
  C      -4.227128     -0.816328      3.315169
  O      -5.460610     -0.890719      3.485957
  C      -3.324348     -0.942956      4.543430
  C      -2.261711     -0.667622      1.753786
  C      -1.724344     -0.483547      0.485646
  O      -0.370786     -0.494655      0.282087
  C      -9.275950      9.590839      4.938230
  C      -9.248404      8.202901      4.372684
  O     -10.201723      7.789067      3.684741
  C      -8.096561      7.312818      4.633409
  C      -6.967594      7.754220      5.339613
  C      -5.889764      6.912358      5.594595
  O      -4.787077      7.337946      6.272301
  C      -5.939791      5.560182      5.153686
  C      -4.905319      4.580751      5.452413
  O      -5.116951      3.362556      5.182529
  C      -3.592685      4.866661      6.085441
  C      -7.067743      5.117864      4.438643
  C      -8.136688      5.965970      4.160126
  O      -9.187324      5.489090      3.474123
  C     -12.388598      5.471635      6.039471
  C     -11.071420      5.958698      6.595727
  O     -10.913781      7.154124      6.827137
  C      -9.948183      4.998148      6.875256
  C      -8.914626      5.507984      7.669147
  C      -7.781150      4.763844      7.984559
  O      -6.824997      5.329106      8.748543
  C      -7.650392      3.446033      7.450361
  C      -6.393432      2.726564      7.648265
  O      -5.491996      3.206843      8.368871
  C      -6.129159      1.408728      6.909800
  C      -8.693131      2.929224      6.663312
  C      -9.837204      3.669434      6.376371
  O     -10.752776      3.039059      5.588063
  H      -0.047387      0.391999     -2.011647
  H      -0.684611     -0.237690     -3.568831
  H      -0.428975     -1.318958     -2.145006
  H      -4.627083     -0.066418     -1.247427
  H      -6.028626     -0.637703      1.980777
  H      -4.009847     -1.218986      5.367704
  H      -2.654960     -1.803679      4.367390
  H      -1.582446     -0.821079      2.594706
  H       0.070430     -0.676333      1.131502
  H      -9.221240      9.551292      6.036386
  H      -8.416540     10.178054      4.580817
  H     -10.206014     10.083349      4.637615
  H      -6.928103      8.782251      5.704868
  H      -4.922406      8.261005      6.557036
  H      -3.059875      5.653841      5.515523
  H      -3.779237      5.316975      7.079830
  H      -7.113320      4.084641      4.098087
  H      -9.809335      6.288627      3.376651
  H     -12.288527      5.281699      4.954565
  H     -12.745111      4.558099      6.539292
  H     -13.136059      6.264675      6.153702
  H      -9.004709      6.528729      8.040806
  H      -6.109886      4.622209      8.828217
  H      -6.571274      1.459933      5.907548
  H      -6.667089      0.603077      7.445887
  H      -8.626475      1.929988      6.233737
  H     -11.469806      3.649086      5.339491
  N      -3.769375      2.094325      3.531824
  H      -3.321852      1.503661      2.835698
  H      -4.453065      2.721724      3.109515
95
Coordinates from ORCA-job orca E -6661.014768020369
  N      -2.515122      0.238439      4.909031
  Mo     -3.490054      1.934328      5.497949
  N      -4.706151      1.098557      6.813816
  C      -4.178883      0.502777      8.048112
  C      -2.700105      0.205702      7.884976
  N      -2.049388      1.336444      7.164546
  C      -0.805099      0.914582      6.480151
  C      -1.172311     -0.068169      5.372559
  C      -1.804490      2.502052      8.054893
  C      -1.709971      3.729883      7.172112
  N      -2.813817      3.646766      6.214951
  H      -0.419699      0.002628      4.563848
  H      -1.128520     -1.106556      5.746804
  H      -0.337814      1.815158      6.061752
  H      -0.101440      0.466620      7.201552
  H      -1.797307      4.638256      7.788231
  H      -0.738697      3.792052      6.652245
  H      -2.676625      2.600564      8.713932
  H      -0.903217      2.336442      8.668255
  H      -4.717415     -0.432488      8.284934
  H      -4.350674      1.195690      8.889037
  H      -2.563933     -0.697129      7.280775
  H      -2.209873      0.042521      8.858523
  C      -0.799534     -0.385797     -2.504461
  C      -2.182219     -0.004398     -2.050198
  O      -2.990115      0.479535     -2.834874
  C      -2.613693     -0.240862     -0.618184
  C      -3.988802     -0.215454     -0.385738
  C      -4.535247     -0.424142      0.884596
  O      -5.869671     -0.398262      1.030966
  C      -3.658508     -0.636876      1.987123
  C      -4.221706     -0.794569      3.326086
  O      -5.454649     -0.856018      3.507651
  C      -3.309518     -0.933141      4.545780
  C      -2.267667     -0.656489      1.750611
  C      -1.738978     -0.474427      0.478493
  O      -0.387100     -0.490067      0.263521
  C      -9.274612      9.587479      4.947668
  C      -9.238799      8.202506      4.374769
  O     -10.186483      7.789469      3.678622
  C      -8.086289      7.314310      4.638398
  C      -6.962484      7.755762      5.353115
  C      -5.883458      6.915469      5.609249
  O      -4.785504      7.340431      6.294785
  C      -5.927402      5.565197      5.161215
  C      -4.891849      4.588070      5.462340
  O      -5.098015      3.370274      5.185585
  C      -3.583299      4.873631      6.104467
  C      -7.050215      5.123368      4.437993
  C      -8.119770      5.970191      4.157435
  O      -9.164694      5.494369      3.462357
  C     -12.396460      5.443068      6.012555
  C     -11.082821      5.936869      6.571531
  O     -10.933209      7.132377      6.807248
  C      -9.955367      4.981717      6.853219
  C      -8.929137      5.494525      7.654148
  C      -7.793482      4.755040      7.973527
  O      -6.844114      5.322443      8.743742
  C      -7.653677      3.439212      7.436771
  C      -6.394746      2.724409      7.639228
  O      -5.498255      3.207008      8.364729
  C      -6.121727      1.409520      6.899648
  C      -8.689498      2.919630      6.642008
  C      -9.834939      3.655357      6.350125
  O     -10.742435      3.023667      5.553483
  H      -0.062229      0.309639     -2.076543
  H      -0.762748     -0.334043     -3.598144
  H      -0.519073     -1.387258     -2.149851
  H      -4.652486     -0.029366     -1.230878
  H      -6.032239     -0.593241      2.007940
  H      -3.986862     -1.218125      5.373661
  H      -2.639181     -1.790143      4.356295
  H      -1.582894     -0.814375      2.586267
  H       0.060631     -0.672574      1.109322
  H      -9.218941      9.542071      6.045564
  H      -8.418690     10.181378      4.592664
  H     -10.207292     10.076729      4.650046
  H      -6.928014      8.782036      5.723772
  H      -4.922456      8.263363      6.579175
  H      -3.047901      5.664665      5.542709
  H      -3.776553      5.316886      7.100738
  H      -7.091143      4.091924      4.091438
  H      -9.787771      6.292668      3.364097
  H     -12.295323      5.263044      4.925948
  H     -12.745594      4.522531      6.504321
  H     -13.149946      6.229541      6.132863
  H      -9.026333      6.513705      8.028434
  H      -6.125516      4.619043      8.824890
  H      -6.556873      1.461028      5.894348
  H      -6.661702      0.601797      7.430753
  H      -8.614547      1.922847      6.208197
  H     -11.457030      3.632940      5.296294
  N      -3.739076      2.111415      3.537243
  H      -3.292314      1.522200      2.839546
  H      -4.419036      2.743765      3.116250
95
Coordinates from ORCA-job orca E -6661.014780201061
  N      -2.487041      0.259163      4.921418
  Mo     -3.462391      1.954423      5.510757
  N      -4.690396      1.106596      6.810291
  C      -4.175314      0.506926      8.047343
  C      -2.694772      0.211793      7.896283
  N      -2.038665      1.345813      7.185219
  C      -0.789214      0.925713      6.508561
  C      -1.149539     -0.053928      5.396183
  C      -1.799866      2.506374      8.084417
  C      -1.698303      3.739336      7.209779
  N      -2.796664      3.662127      6.245544
  H      -0.390426      0.014787      4.593528
  H      -1.113603     -1.093034      5.769562
  H      -0.319100      1.827087      6.094901
  H      -0.090986      0.475969      7.234072
  H      -1.787671      4.644889      7.829573
  H      -0.724202      3.801958      6.695333
  H      -2.677871      2.601064      8.736220
  H      -0.903777      2.335692      8.703804
  H      -4.715022     -0.430024      8.275043
  H      -4.355994      1.195807      8.889780
  H      -2.552613     -0.688973      7.290395
  H      -2.211634      0.046581      8.872952
  C      -0.908310     -0.518488     -2.552632
  C      -2.230202      0.003068     -2.057381
  O      -3.000175      0.587681     -2.810604
  C      -2.649498     -0.218890     -0.620510
  C      -4.020136     -0.165478     -0.369592
  C      -4.550962     -0.366440      0.909232
  O      -5.882140     -0.316435      1.076147
  C      -3.662251     -0.597868      1.997798
  C      -4.207908     -0.749358      3.343891
  O      -5.439292     -0.787390      3.544736
  C      -3.279395     -0.911177      4.547552
  C      -2.274646     -0.639120      1.742198
  C      -1.762404     -0.465851      0.462392
  O      -0.414496     -0.495798      0.224285
  C      -9.277297      9.579461      4.970206
  C      -9.226440      8.200792      4.382906
  O     -10.163886      7.789410      3.671973
  C      -8.071364      7.316964      4.649471
  C      -6.957873      7.758298      5.380370
  C      -5.876365      6.921718      5.638863
  O      -4.788163      7.345328      6.340364
  C      -5.907937      5.575551      5.177117
  C      -4.869586      4.602898      5.481167
  O      -5.065069      3.386171      5.190620
  C      -3.569369      4.888082      6.141110
  C      -7.020497      5.134321      4.437879
  C      -8.091817      5.977983      4.154023
  O      -9.126223      5.503526      3.442846
  C     -12.404484      5.398289      5.956791
  C     -11.101147      5.900870      6.532320
  O     -10.964676      7.095881      6.777037
  C      -9.966901      4.953997      6.816138
  C      -8.955856      5.467264      7.635229
  C      -7.817485      4.734169      7.960450
  O      -6.881567      5.301532      8.746280
  C      -7.660625      3.424753      7.413037
  C      -6.399087      2.717140      7.624382
  O      -5.515551      3.198992      8.366429
  C      -6.108170      1.410385      6.878624
  C      -8.681864      2.904853      6.599288
  C      -9.828490      3.634892      6.299150
  O     -10.720131      3.005908      5.482585
  H      -0.099424      0.136829     -2.195388
  H      -0.918032     -0.517089     -3.648242
  H      -0.690477     -1.520842     -2.160241
  H      -4.693429      0.034591     -1.203797
  H      -6.032955     -0.507045      2.056122
  H      -3.942972     -1.213778      5.380313
  H      -2.606848     -1.760418      4.333766
  H      -1.580343     -0.805699      2.568199
  H       0.045768     -0.680182      1.062892
  H      -9.220779      9.523463      6.067569
  H      -8.427701     10.185894      4.621036
  H     -10.214756     10.062307      4.677325
  H      -6.933921      8.780705      5.762351
  H      -4.929921      8.266889      6.626838
  H      -3.030301      5.687582      5.595594
  H      -3.776296      5.317161      7.140821
  H      -7.052228      4.106105      4.080839
  H      -9.753302      6.298643      3.346299
  H     -12.293950      5.238260      4.867834
  H     -12.744346      4.464572      6.429180
  H     -13.168883      6.173060      6.084364
  H      -9.066773      6.481352      8.019461
  H      -6.157416      4.603619      8.828223
  H      -6.529297      1.465711      5.867486
  H      -6.651722      0.596302      7.396572
  H      -8.592195      1.913911      6.155095
  H     -11.429640      3.615875      5.213296
  N      -3.682135      2.146814      3.547438
  H      -3.235947      1.559480      2.847959
  H      -4.354864      2.787510      3.127350
95
Coordinates from ORCA-job orca E -6661.014803105929
  N      -2.494742      0.253465      4.918842
  Mo     -3.471662      1.947824      5.507709
  N      -4.693807      1.102559      6.813093
  C      -4.173441      0.503065      8.048205
  C      -2.693083      0.209134      7.892166
  N      -2.040215      1.343403      7.179420
  C      -0.791917      0.925054      6.499991
  C      -1.153465     -0.053658      5.386623
  C      -1.801131      2.505231      8.075852
  C      -1.702099      3.736781      7.198805
  N      -2.801638      3.657379      6.236281
  H      -0.397869      0.020765      4.581077
  H      -1.110212     -1.093467      5.757012
  H      -0.322170      1.827291      6.088192
  H      -0.092202      0.473856      7.223272
  H      -1.792105      4.642700      7.818094
  H      -0.728799      3.800779      6.683185
  H      -2.677566      2.600330      8.729680
  H      -0.903751      2.337046      8.694260
  H      -4.711671     -0.434201      8.277908
  H      -4.351491      1.191885      8.891162
  H      -2.551579     -0.691206      7.285704
  H      -2.207230      0.043987      8.867579
  C      -0.877987     -0.464462     -2.532846
  C      -2.228098     -0.002952     -2.055029
  O      -3.017859      0.536344     -2.821534
  C      -2.648133     -0.226651     -0.618154
  C      -4.019720     -0.183598     -0.370099
  C      -4.552159     -0.386309      0.907418
  O      -5.884122     -0.345462      1.071759
  C      -3.663832     -0.610150      1.998570
  C      -4.211855     -0.764659      3.343517
  O      -5.443400     -0.811879      3.540990
  C      -3.285542     -0.919247      4.549870
  C      -2.275584     -0.643332      1.745577
  C      -1.761915     -0.467335      0.466937
  O      -0.413556     -0.492558      0.231192
  C      -9.276502      9.581072      4.964255
  C      -9.228565      8.202311      4.377572
  O     -10.168952      7.790776      3.670514
  C      -8.073998      7.317267      4.642718
  C      -6.958864      7.757531      5.371314
  C      -5.879016      6.919529      5.631078
  O      -4.788985      7.342851      6.330092
  C      -5.914417      5.572185      5.173689
  C      -4.877434      4.597572      5.477384
  O      -5.077063      3.380379      5.192430
  C      -3.574338      4.882894      6.131266
  C      -7.028703      5.131368      4.436647
  C      -8.098176      5.976690      4.151160
  O      -9.134323      5.502596      3.442112
  C     -12.395467      5.415960      5.961687
  C     -11.090074      5.913397      6.536938
  O     -10.949409      7.107690      6.782899
  C      -9.959660      4.962283      6.822013
  C      -8.945118      5.473949      7.638231
  C      -7.809062      4.737845      7.963664
  O      -6.869960      5.304828      8.746427
  C      -7.657611      3.426217      7.419867
  C      -6.398128      2.714929      7.631667
  O      -5.513036      3.194925      8.372839
  C      -6.111316      1.406364      6.887046
  C      -8.682171      2.907584      6.609830
  C      -9.826907      3.640921      6.309468
  O     -10.722206      3.012143      5.496908
  H      -0.098898      0.210318     -2.147348
  H      -0.867484     -0.445864     -3.628207
  H      -0.634113     -1.466178     -2.153710
  H      -4.692235      0.009245     -1.206665
  H      -6.035093     -0.538174      2.051497
  H      -3.951674     -1.218569      5.381861
  H      -2.611718     -1.768950      4.342203
  H      -1.582122     -0.806436      2.572863
  H       0.045751     -0.676759      1.070387
  H      -9.231529      9.523858      6.062172
  H      -8.420648     10.183825      4.624764
  H     -10.209163     10.068259      4.663086
  H      -6.932490      8.780638      5.751251
  H      -4.929831      8.264506      6.616693
  H      -3.037001      5.680983      5.581935
  H      -3.777928      5.314865      7.130504
  H      -7.063293      4.101922      4.083465
  H      -9.760593      6.298636      3.345774
  H     -12.284637      5.247613      4.874144
  H     -12.741656      4.487549      6.440254
  H     -13.155405      6.195940      6.083683
  H      -9.052003      6.489394      8.019886
  H      -6.149165      4.603907      8.831091
  H      -6.536558      1.460241      5.877593
  H      -6.652819      0.593137      7.408373
  H      -8.598094      1.913874      6.170685
  H     -11.433464      3.622028      5.232182
  N      -3.702770      2.135558      3.545553
  H      -3.258315      1.545360      2.847244
  H      -4.377869      2.773073      3.124468
95
Coordinates from ORCA-job orca E -6661.014820059238
  N      -2.487129      0.254284      4.923649
  Mo     -3.466801      1.947743      5.513481
  N      -4.689914      1.101761      6.816707
  C      -4.170297      0.502551      8.052284
  C      -2.689803      0.208454      7.897400
  N      -2.036286      1.343153      7.186369
  C      -0.787000      0.926066      6.507822
  C      -1.147116     -0.053454      5.394931
  C      -1.798326      2.504313      8.083563
  C      -1.700044      3.736835      7.207626
  N      -2.798650      3.657333      6.244262
  H      -0.389268      0.018653      4.591260
  H      -1.105338     -1.092756      5.766893
  H      -0.317736      1.828871      6.096859
  H      -0.087085      0.475489      7.231376
  H      -1.791979      4.641621      7.828408
  H      -0.726442      3.803321      6.693017
  H      -2.674273      2.598208      8.738203
  H      -0.900826      2.336642      8.702069
  H      -4.708735     -0.434540      8.282077
  H      -4.348661      1.191751      8.894814
  H      -2.547596     -0.691385      7.290522
  H      -2.205321      0.042498      8.873401
  C      -0.910991     -0.467653     -2.543059
  C      -2.249946      0.013865     -2.053595
  O      -3.039077      0.564077     -2.812885
  C      -2.663533     -0.213005     -0.615443
  C      -4.033902     -0.170832     -0.361109
  C      -4.560144     -0.377321      0.918277
  O      -5.891333     -0.337907      1.089509
  C      -3.666129     -0.603438      2.004759
  C      -4.207968     -0.762073      3.351713
  O      -5.438638     -0.809111      3.554951
  C      -3.275892     -0.919355      4.553155
  C      -2.278878     -0.634495      1.745306
  C      -1.771803     -0.455138      0.464797
  O      -0.424827     -0.476927      0.221159
  C      -9.273234      9.578429      4.957924
  C      -9.223000      8.200276      4.370374
  O     -10.160764      7.788903      3.659742
  C      -8.068898      7.315618      4.638949
  C      -6.956722      7.755516      5.372049
  C      -5.877686      6.917921      5.635798
  O      -4.790074      7.341507      6.338599
  C      -5.911229      5.570686      5.178435
  C      -4.874722      4.595944      5.483643
  O      -5.073496      3.378941      5.197251
  C      -3.573060      4.881591      6.140108
  C      -7.022638      5.129768      4.436908
  C      -8.090875      5.974974      4.147023
  O      -9.123737      5.501147      3.432834
  C     -12.391031      5.411384      5.940611
  C     -11.087368      5.908409      6.520125
  O     -10.946982      7.102690      6.766434
  C      -9.958111      4.957128      6.809175
  C      -8.946298      5.468987      7.628987
  C      -7.811448      4.733192      7.958611
  O      -6.875730      5.300855      8.745302
  C      -7.657537      3.421561      7.415412
  C      -6.398532      2.710819      7.632062
  O      -5.516349      3.191512      8.376101
  C      -6.108108      1.402628      6.887824
  C      -8.678975      2.902702      6.601825
  C      -9.823050      3.635716      6.297489
  O     -10.715448      3.006446      5.482132
  H      -0.119446      0.200081     -2.171110
  H      -0.912359     -0.456606     -3.638598
  H      -0.675899     -1.469819     -2.159645
  H      -4.710604      0.023852     -1.193879
  H      -6.036658     -0.534062      2.069695
  H      -3.938070     -1.225134      5.386149
  H      -2.600123     -1.765834      4.338928
  H      -1.581662     -0.797828      2.569379
  H       0.040096     -0.662482      1.056973
  H      -9.230772      9.522007      6.055907
  H      -8.417161     10.182067      4.620535
  H     -10.205765     10.064460      4.654325
  H      -6.931974      8.778560      5.752359
  H      -4.933070      8.262425      6.626473
  H      -3.036159      5.681471      5.592847
  H      -3.779050      5.311842      7.139655
  H      -7.055599      4.100249      4.083808
  H      -9.749953      6.297194      3.334851
  H     -12.276915      5.241474      4.853697
  H     -12.739095      4.483697      6.419366
  H     -13.150995      6.191802      6.059409
  H      -9.054920      6.484381      8.010226
  H      -6.155869      4.599624      8.834166
  H      -6.531141      1.456473      5.877443
  H      -6.649443      0.588042      7.407117
  H      -8.593681      1.908298      6.164423
  H     -11.427053      3.615717      5.216964
  N      -3.695295      2.137911      3.551397
  H      -3.248491      1.547926      2.854375
  H      -4.369971      2.774474      3.128186
95
Coordinates from ORCA-job orca E -6661.014837557419
  N      -2.465853      0.264693      4.933338
  Mo     -3.451662      1.954902      5.525331
  N      -4.679097      1.102002      6.819253
  C      -4.163916      0.500458      8.055446
  C      -2.682357      0.208578      7.906243
  N      -2.026954      1.346646      7.202859
  C      -0.773878      0.934179      6.528280
  C      -1.127830     -0.042523      5.410936
  C      -1.794762      2.504684      8.105088
  C      -1.695994      3.741165      7.234606
  N      -2.790245      3.663292      6.266539
  H      -0.365863      0.031623      4.611385
  H      -1.086262     -1.082655      5.780594
  H      -0.303742      1.839382      6.123879
  H      -0.076387      0.481694      7.253101
  H      -1.793235      4.642480      7.859777
  H      -0.720554      3.813401      6.724447
  H      -2.672432      2.594010      8.758062
  H      -0.899160      2.336883      8.726497
  H      -4.702126     -0.437707      8.281197
  H      -4.346313      1.187782      8.898619
  H      -2.535751     -0.688763      7.296904
  H      -2.202747      0.039646      8.884202
  C      -0.991908     -0.504663     -2.569148
  C      -2.302972      0.027057     -2.056028
  O      -3.080484      0.617070     -2.796917
  C      -2.701386     -0.196300     -0.613270
  C      -4.067834     -0.143516     -0.341965
  C      -4.578694     -0.349404      0.943808
  O      -5.907089     -0.300755      1.133298
  C      -3.671501     -0.584873      2.018060
  C      -4.196718     -0.744143      3.371357
  O      -5.424981     -0.780540      3.591847
  C      -3.248836     -0.911613      4.558574
  C      -2.287485     -0.623405      1.741044
  C      -1.796772     -0.444716      0.454662
  O      -0.453829     -0.469863      0.190188
  C      -9.275144      9.569172      4.957462
  C      -9.213314      8.195335      4.361427
  O     -10.142124      7.784432      3.638841
  C      -8.057929      7.313883      4.635231
  C      -6.954818      7.752768      5.382168
  C      -5.876099      6.917265      5.652881
  O      -4.796674      7.339930      6.368947
  C      -5.901399      5.572342      5.189083
  C      -4.865252      4.598574      5.498463
  O      -5.059759      3.382059      5.206488
  C      -3.569376      4.884514      6.165865
  C      -7.003497      5.131978      4.433137
  C      -8.070665      5.975723      4.135760
  O      -9.094243      5.503184      3.407180
  C     -12.380297      5.398294      5.887780
  C     -11.083555      5.894318      6.483223
  O     -10.948444      7.087100      6.739667
  C      -9.955870      4.943404      6.779600
  C      -8.953091      5.453163      7.612157
  C      -7.820254      4.718140      7.949542
  O      -6.893798      5.285091      8.748176
  C      -7.658306      3.409112      7.402104
  C      -6.400410      2.699295      7.629410
  O      -5.527483      3.177871      8.385433
  C      -6.099089      1.395557      6.881436
  C      -8.670472      2.892216      6.576095
  C      -9.813007      3.624659      6.263692
  O     -10.696305      2.997623      5.436747
  H      -0.171077      0.143427     -2.227312
  H      -1.018921     -0.509644     -3.664477
  H      -0.780692     -1.508023     -2.175435
  H      -4.754248      0.057865     -1.165145
  H      -6.039495     -0.499107      2.115495
  H      -3.898908     -1.234236      5.395070
  H      -2.568083     -1.748955      4.325711
  H      -1.581177     -0.789974      2.556709
  H       0.024074     -0.659091      1.017845
  H      -9.248956      9.506413      6.055628
  H      -8.416117     10.177812      4.637265
  H     -10.204954     10.053883      4.643289
  H      -6.937156      8.773791      5.768388
  H      -4.945959      8.258226      6.661938
  H      -3.032114      5.691106      5.628863
  H      -3.785307      5.306383      7.167072
  H      -7.029693      4.103946      4.075225
  H      -9.722393      6.297850      3.308579
  H     -12.255247      5.232145      4.801576
  H     -12.731499      4.468233      6.359833
  H     -13.142699      6.176966      6.002108
  H      -9.067658      6.466603      7.996753
  H      -6.173971      4.584606      8.842360
  H      -6.514785      1.452148      5.868169
  H      -6.640567      0.575900      7.392438
  H      -8.579819      1.898979      6.137089
  H     -11.407340      3.606858      5.169880
  N      -3.665811      2.156273      3.563036
  H      -3.214470      1.567674      2.867781
  H      -4.336563      2.794360      3.135857
95
Coordinates from ORCA-job orca E -6661.014847387760
  N      -2.455651      0.265989      4.939940
  Mo     -3.445788      1.953612      5.532477
  N      -4.674351      1.098596      6.823379
  C      -4.160898      0.496705      8.060077
  C      -2.678749      0.206624      7.913651
  N      -2.023267      1.346135      7.212820
  C      -0.768384      0.936184      6.540268
  C      -1.118479     -0.039714      5.421068
  C      -1.794874      2.503882      8.116364
  C      -1.695874      3.741279      7.247193
  N      -2.787253      3.662716      6.276105
  H      -0.354779      0.036137      4.623373
  H      -1.076287     -1.080167      5.789772
  H      -0.298694      1.842615      6.138080
  H      -0.071713      0.483873      7.265988
  H      -1.796224      4.641748      7.873112
  H      -0.719121      3.815700      6.739834
  H      -2.674041      2.591406      8.767565
  H      -0.900529      2.337077      8.739851
  H      -4.698592     -0.442076      8.284387
  H      -4.345572      1.183626      8.903103
  H      -2.529777     -0.690020      7.303783
  H      -2.201292      0.037163      8.892572
  C      -1.031786     -0.491670     -2.579328
  C      -2.336983      0.043402     -2.054577
  O      -3.118870      0.637138     -2.787720
  C      -2.725305     -0.183990     -0.609714
  C      -4.089925     -0.134679     -0.329024
  C      -4.591324     -0.343598      0.960074
  O      -5.918336     -0.297440      1.159140
  C      -3.676190     -0.579227      2.027376
  C      -4.191744     -0.741139      3.383955
  O      -5.418420     -0.779411      3.613019
  C      -3.234817     -0.912259      4.563333
  C      -2.293990     -0.614147      1.740891
  C      -1.812613     -0.431800      0.451590
  O      -0.471563     -0.452144      0.177494
  C      -9.273539      9.562783      4.946315
  C      -9.207624      8.189636      4.349226
  O     -10.132996      7.778539      3.622377
  C      -8.052659      7.308971      4.627376
  C      -6.952945      7.748517      5.378997
  C      -5.874664      6.913849      5.653962
  O      -4.798666      7.337006      6.374861
  C      -5.896787      5.569178      5.189387
  C      -4.861569      4.595774      5.503037
  O      -5.055392      3.378904      5.212127
  C      -3.568017      4.882653      6.174186
  C      -6.995328      5.128119      4.428725
  C      -8.062146      5.970915      4.127472
  O      -9.082598      5.497311      3.395131
  C     -12.366824      5.398780      5.857709
  C     -11.075941      5.891550      6.468054
  O     -10.940771      7.084193      6.725592
  C      -9.950574      4.939419      6.768555
  C      -8.951454      5.446929      7.606969
  C      -7.820566      4.710697      7.948113
  O      -6.897488      5.275581      8.752311
  C      -7.656554      3.402910      7.398610
  C      -6.399705      2.692652      7.630661
  O      -5.530722      3.169956      8.391872
  C      -6.095015      1.389678      6.882555
  C      -8.665057      2.888109      6.566976
  C      -9.805939      3.621611      6.250839
  O     -10.685375      2.996720      5.418138
  H      -0.206468      0.154918     -2.245896
  H      -1.069058     -0.497544     -3.674380
  H      -0.819478     -1.495316     -2.186912
  H      -4.782564      0.066984     -1.146863
  H      -6.043289     -0.497101      2.142101
  H      -3.877067     -1.244579      5.402169
  H      -2.551088     -1.744066      4.319722
  H      -1.581988     -0.779481      2.551876
  H       0.013204     -0.642181      1.000948
  H      -9.257833      9.498052      6.044588
  H      -8.411007     10.171180      4.635398
  H     -10.200057     10.048710      4.624433
  H      -6.937631      8.769470      5.765479
  H      -4.950432      8.254643      6.668623
  H      -3.030347      5.690918      5.640118
  H      -3.788105      5.303284      7.175112
  H      -7.018904      4.100216      4.070320
  H      -9.711217      6.291376      3.294316
  H     -12.229731      5.231399      4.773202
  H     -12.725806      4.470083      6.326728
  H     -13.128642      6.179262      5.963004
  H      -9.067222      6.459780      7.992685
  H      -6.178268      4.574832      8.848013
  H      -6.508585      1.446261      5.868481
  H      -6.636079      0.568794      7.391933
  H      -8.572563      1.895928      6.126075
  H     -11.396493      3.606061      5.151613
  N      -3.655692      2.158680      3.570216
  H      -3.202298      1.570293      2.876117
  H      -4.326211      2.795679      3.141050
95
Coordinates from ORCA-job orca E -6661.014868946097
  N      -2.432072      0.268447      4.956805
  Mo     -3.430600      1.951206      5.549899
  N      -4.662342      1.092195      6.833667
  C      -4.153379      0.489703      8.071863
  C      -2.669949      0.203056      7.932213
  N      -2.013553      1.345183      7.236466
  C      -0.754979      0.939502      6.568587
  C      -1.097028     -0.034860      5.445655
  C      -1.792640      2.502385      8.142798
  C      -1.693478      3.741624      7.276335
  N      -2.779127      3.661418      6.299282
  H      -0.329821      0.044049      4.651742
  H      -1.054430     -1.075910      5.812779
  H      -0.285977      1.848061      6.170162
  H      -0.060498      0.487761      7.296714
  H      -1.799852      4.640660      7.903318
  H      -0.714102      3.819880      6.774463
  H      -2.674775      2.586173      8.790496
  H      -0.900561      2.337541      8.769977
  H      -4.690275     -0.450232      8.293069
  H      -4.343233      1.175926      8.914360
  H      -2.516149     -0.692452      7.321608
  H      -2.197514      0.032621      8.913384
  C      -1.127695     -0.461187     -2.602220
  C      -2.418572      0.081485     -2.049951
  O      -3.207568      0.689594     -2.763249
  C      -2.783088     -0.155459     -0.600656
  C      -4.142778     -0.109810     -0.296645
  C      -4.621535     -0.325431      1.000198
  O      -5.944740     -0.280695      1.222493
  C      -3.688289     -0.565586      2.049956
  C      -4.180766     -0.733065      3.414208
  O      -5.403477     -0.770248      3.664068
  C      -3.202871     -0.913607      4.574728
  C      -2.311039     -0.596698      1.740073
  C      -1.851850     -0.406739      0.443783
  O      -0.515805     -0.422231      0.146534
  C      -9.269160      9.548534      4.924880
  C      -9.192881      8.177692      4.323761
  O     -10.110525      7.766393      3.587309
  C      -8.039128      7.298690      4.611888
  C      -6.947062      7.739703      5.374162
  C      -5.869617      6.906829      5.658146
  O      -4.801257      7.331209      6.389544
  C      -5.884317      5.562760      5.191373
  C      -4.851036      4.590340      5.514472
  O      -5.042814      3.372874      5.224935
  C      -3.562582      4.879224      6.193881
  C      -6.974957      5.120388      4.420384
  C      -8.040971      5.961127      4.110618
  O      -9.053721      5.485285      3.369025
  C     -12.339535      5.393862      5.785348
  C     -11.060025      5.881025      6.422882
  O     -10.929460      7.072112      6.691054
  C      -9.940182      4.926981      6.735956
  C      -8.950559      5.432376      7.586902
  C      -7.823505      4.695522      7.939188
  O      -6.909571      5.258628      8.755127
  C      -7.652968      3.389342      7.388293
  C      -6.397600      2.680011      7.631751
  O      -5.536554      3.157567      8.401579
  C      -6.084551      1.377983      6.885168
  C      -8.652229      2.876175      6.544782
  C      -9.789941      3.609824      6.217667
  O     -10.659152      2.985825      5.373569
  H      -0.292129      0.180389     -2.285361
  H      -1.187645     -0.464768     -3.696338
  H      -0.913475     -1.466975     -2.216339
  H      -4.849850      0.095925     -1.100936
  H      -6.052599     -0.482638      2.206865
  H      -3.825642     -1.268901      5.418953
  H      -2.513054     -1.732141      4.304819
  H      -1.585592     -0.763240      2.538923
  H      -0.015592     -0.617187      0.959505
  H      -9.278035      9.476924      6.022860
  H      -8.398872     10.156843      4.636485
  H     -10.187707     10.037852      4.585913
  H      -6.937067      8.760431      5.761365
  H      -4.958453      8.247420      6.684883
  H      -3.023465      5.690436      5.665818
  H      -3.791322      5.297826      7.193920
  H      -6.992350      4.093145      4.059779
  H      -9.682259      6.278405      3.260941
  H     -12.180142      5.226999      4.703895
  H     -12.711941      4.466490      6.246794
  H     -13.100849      6.176660      5.875838
  H      -9.070167      6.444832      7.972461
  H      -6.190609      4.558588      8.856142
  H      -6.492803      1.433661      5.869007
  H      -6.625006      0.554995      7.391593
  H      -8.553628      1.885898      6.101061
  H     -11.370409      3.593574      5.103719
  N      -3.628634      2.164952      3.587178
  H      -3.168565      1.578451      2.895883
  H      -4.299757      2.798217      3.153445
95
Coordinates from ORCA-job orca E -6661.014885780701
  N      -2.398638      0.275384      4.978971
  Mo     -3.408948      1.951037      5.573635
  N      -4.645730      1.085596      6.846638
  C      -4.143318      0.480547      8.086335
  C      -2.658186      0.199301      7.956178
  N      -2.000484      1.345845      7.268613
  C      -0.736556      0.946579      6.607488
  C      -1.067096     -0.025466      5.479407
  C      -1.790324      2.501496      8.179789
  C      -1.691002      3.743994      7.318288
  N      -2.768335      3.662131      6.332659
  H      -0.294669      0.056980      4.691114
  H      -1.025282     -1.067394      5.844532
  H      -0.268697      1.858118      6.214196
  H      -0.045373      0.495672      7.339219
  H      -1.805914      4.640774      7.946972
  H      -0.707877      3.827563      6.824301
  H      -2.676801      2.579066      8.822374
  H      -0.901340      2.338563      8.811779
  H      -4.678990     -0.461493      8.301307
  H      -4.341120      1.164202      8.929157
  H      -2.497103     -0.693834      7.343650
  H      -2.192517      0.026810      8.940218
  C      -1.258019     -0.429064     -2.634310
  C      -2.530004      0.121341     -2.046711
  O      -3.329836      0.743499     -2.735241
  C      -2.861984     -0.124591     -0.591211
  C      -4.213605     -0.075205     -0.254253
  C      -4.661410     -0.295543      1.053219
  O      -5.978328     -0.244202      1.307484
  C      -3.704381     -0.546170      2.078105
  C      -4.163570     -0.717310      3.453426
  O      -5.379881     -0.746143      3.734656
  C      -3.156253     -0.911755      4.585918
  C      -2.335046     -0.580665      1.734939
  C      -1.906571     -0.385667      0.428817
  O      -0.578417     -0.405798      0.098828
  C      -9.268225      9.528785      4.903035
  C      -9.174245      8.162502      4.294039
  O     -10.078142      7.750943      3.540842
  C      -8.021282      7.287009      4.595176
  C      -6.941396      7.729173      5.374412
  C      -5.864768      6.898720      5.669538
  O      -4.807829      7.323703      6.416879
  C      -5.868093      5.556524      5.196613
  C      -4.836628      4.585817      5.531425
  O      -5.024856      3.367957      5.241863
  C      -3.555141      4.877247      6.222272
  C      -6.946545      5.113572      4.409341
  C      -8.011303      5.951915      4.088543
  O      -9.012081      5.475284      3.331362
  C     -12.299972      5.383919      5.680655
  C     -11.041038      5.863842      6.362436
  O     -10.920491      7.052225      6.648005
  C      -9.927353      4.908605      6.692502
  C      -8.951786      5.412233      7.560405
  C      -7.828886      4.676076      7.927479
  O      -6.927939      5.238394      8.757998
  C      -7.648296      3.371743      7.375459
  C      -6.394659      2.663862      7.633766
  O      -5.544326      3.141137      8.415496
  C      -6.069854      1.364476      6.887816
  C      -8.634446      2.859626      6.516090
  C      -9.768011      3.592529      6.173372
  O     -10.622273      2.968514      5.314155
  H      -0.410292      0.205839     -2.336772
  H      -1.346234     -0.426966     -3.726591
  H      -1.040768     -1.438259     -2.259185
  H      -4.939376      0.139061     -1.039410
  H      -6.063707     -0.446285      2.293940
  H      -3.749284     -1.302001      5.436217
  H      -2.458050     -1.709167      4.276960
  H      -1.591357     -0.753632      2.515656
  H      -0.058704     -0.610624      0.897050
  H      -9.316551      9.443415      5.999213
  H      -8.387193     10.138134      4.652466
  H     -10.173690     10.023698      4.538193
  H      -6.940289      8.748389      5.765591
  H      -4.972944      8.237332      6.715928
  H      -3.013923      5.692329      5.702447
  H      -3.795687      5.293089      7.220966
  H      -6.954505      4.088212      4.043014
  H      -9.640182      6.267173      3.214382
  H     -12.103771      5.219567      4.604968
  H     -12.692135      4.457155      6.127232
  H     -13.061354      6.168967      5.747978
  H      -9.078135      6.423846      7.946098
  H      -6.207814      4.540515      8.865699
  H      -6.470365      1.420049      5.868714
  H      -6.609636      0.538021      7.389131
  H      -8.526744      1.871806      6.069039
  H     -11.333600      3.573226      5.037711
  N      -3.587417      2.178581      3.610351
  H      -3.117057      1.595437      2.923201
  H      -4.257657      2.808173      3.170027
95
Coordinates from ORCA-job orca E -6661.014904652732
  N      -2.403851      0.269238      4.978294
  Mo     -3.412055      1.947467      5.571119
  N      -4.649455      1.088862      6.848139
  C      -4.146964      0.486055      8.088992
  C      -2.662676      0.201445      7.957618
  N      -2.003696      1.344712      7.265621
  C      -0.741077      0.941297      6.604338
  C      -1.074654     -0.036032      5.482528
  C      -1.789983      2.502329      8.173606
  C      -1.690462      3.742532      7.308894
  N      -2.769467      3.659305      6.325212
  H      -0.300663      0.036764      4.694828
  H      -1.039556     -1.075794      5.854711
  H      -0.273902      1.850428      6.204577
  H      -0.048686      0.494110      7.337184
  H      -1.803223      4.641329      7.935020
  H      -0.707903      3.823033      6.813161
  H      -2.675105      2.582702      8.817699
  H      -0.899724      2.339244      8.803702
  H      -4.684309     -0.454466      8.306440
  H      -4.342840      1.171830      8.930551
  H      -2.504513     -0.693710      7.347340
  H      -2.195580      0.030916      8.941307
  C      -1.233911     -0.414088     -2.631646
  C      -2.513760      0.121690     -2.048187
  O      -3.315895      0.738162     -2.739378
  C      -2.849662     -0.127842     -0.594090
  C      -4.202403     -0.079453     -0.261214
  C      -4.654556     -0.301614      1.044350
  O      -5.972496     -0.251160      1.293917
  C      -3.701174     -0.552464      2.072326
  C      -4.165132     -0.723268      3.446217
  O      -5.382533     -0.753361      3.722397
  C      -3.162563     -0.916557      4.583195
  C      -2.330848     -0.586732      1.733528
  C      -1.897877     -0.391071      0.428742
  O      -0.568363     -0.413001      0.104373
  C      -9.266580      9.530186      4.906601
  C      -9.176082      8.163544      4.297769
  O     -10.083419      7.752100      3.548597
  C      -8.023034      7.287079      4.595788
  C      -6.939993      7.729304      5.370599
  C      -5.862836      6.898232      5.662354
  O      -4.802611      7.323486      6.404849
  C      -5.869124      5.555405      5.191023
  C      -4.837158      4.584360      5.523908
  O      -5.026992      3.366541      5.235947
  C      -3.553421      4.875955      6.210886
  C      -6.950815      5.112615      4.408270
  C      -8.016004      5.951618      4.090371
  O      -9.019697      5.475007      3.337226
  C     -12.309502      5.383676      5.698212
  C     -11.047833      5.866351      6.373221
  O     -10.928422      7.054928      6.658157
  C      -9.932246      4.912520      6.701633
  C      -8.953077      5.419506      7.563319
  C      -7.828032      4.685174      7.927696
  O      -6.923428      5.250333      8.751926
  C      -7.649480      3.378950      7.379500
  C      -6.394432      2.672296      7.634022
  O      -5.540571      3.152234      8.410370
  C      -6.072923      1.370685      6.890865
  C      -8.639639      2.863255      6.526756
  C      -9.774936      3.594495      6.186481
  O     -10.632829      2.966382      5.334022
  H      -0.393325      0.225073     -2.322675
  H      -1.314662     -0.403274     -3.724401
  H      -1.010095     -1.424426     -2.263607
  H      -4.925488      0.135737     -1.048610
  H      -6.061675     -0.453608      2.279730
  H      -3.758550     -1.304664      5.432283
  H      -2.464893     -1.716022      4.277840
  H      -1.589264     -0.761911      2.515706
  H      -0.052807     -0.619084      0.904986
  H      -9.304652      9.445339      6.003231
  H      -8.388447     10.140066      4.647146
  H     -10.175578     10.024202      4.549484
  H      -6.936843      8.748801      5.760950
  H      -4.965762      8.237643      6.703342
  H      -3.011603      5.686924      5.685201
  H      -3.789846      5.297436      7.208077
  H      -6.961296      4.086875      4.043039
  H      -9.647328      6.267179      3.220877
  H     -12.116841      5.216583      4.622326
  H     -12.699859      4.457986      6.148541
  H     -13.070929      6.168625      5.766233
  H      -9.078309      6.432179      7.946630
  H      -6.202416      4.553093      8.858512
  H      -6.474775      1.424406      5.872177
  H      -6.613430      0.546564      7.395277
  H      -8.533967      1.873749      6.082930
  H     -11.345431      3.569210      5.056973
  N      -3.591288      2.169884      3.606896
  H      -3.121672      1.584137      2.921470
  H      -4.262217      2.797852      3.165334
95
Coordinates from ORCA-job orca E -6661.014930379207
  N      -2.392161      0.269361      4.987273
  Mo     -3.401541      1.948909      5.576513
  N      -4.645234      1.093667      6.850610
  C      -4.148029      0.491599      8.093851
  C      -2.663865      0.204986      7.967074
  N      -2.001363      1.346601      7.275353
  C      -0.736574      0.940889      6.618994
  C      -1.068209     -0.041899      5.502353
  C      -1.788735      2.504286      8.183475
  C      -1.686204      3.744000      7.318541
  N      -2.762890      3.660340      6.332417
  H      -0.288775      0.019179      4.719119
  H      -1.043443     -1.079185      5.882541
  H      -0.269451      1.848094      6.214861
  H      -0.045475      0.497923      7.355637
  H      -1.800073      4.643524      7.943373
  H      -0.702384      3.823066      6.825130
  H      -2.675339      2.585113      8.825417
  H      -0.899698      2.340021      8.814993
  H      -4.687141     -0.448340      8.309578
  H      -4.346362      1.177531      8.934721
  H      -2.505381     -0.690889      7.358243
  H      -2.198863      0.035389      8.951930
  C      -1.268963     -0.406628     -2.644529
  C      -2.543802      0.128538     -2.050532
  O      -3.350363      0.746812     -2.735237
  C      -2.869397     -0.122254     -0.594332
  C      -4.218924     -0.064315     -0.250157
  C      -4.661907     -0.287230      1.058194
  O      -5.977613     -0.228114      1.318776
  C      -3.702072     -0.547487      2.077930
  C      -4.156421     -0.716681      3.455353
  O      -5.371949     -0.738674      3.740646
  C      -3.146593     -0.916750      4.584208
  C      -2.334767     -0.590664      1.727815
  C      -1.911361     -0.396025      0.419631
  O      -0.584810     -0.429038      0.084264
  C      -9.264214      9.525046      4.914071
  C      -9.170128      8.161363      4.299305
  O     -10.076554      7.750274      3.548612
  C      -8.015845      7.285937      4.596040
  C      -6.934486      7.727966      5.373122
  C      -5.856813      6.897563      5.664687
  O      -4.797535      7.323070      6.408431
  C      -5.861682      5.555130      5.192137
  C      -4.828174      4.585177      5.524466
  O      -5.015271      3.367997      5.232482
  C      -3.545855      4.877317      6.214563
  C      -6.941783      5.112535      4.407246
  C      -8.006931      5.951351      4.088381
  O      -9.008469      5.475143      3.332291
  C     -12.310413      5.371184      5.671369
  C     -11.055136      5.855818      6.357247
  O     -10.943646      7.042928      6.650647
  C      -9.937223      4.904919      6.688199
  C      -8.961444      5.415046      7.551787
  C      -7.834602      4.684635      7.918448
  O      -6.932899      5.252908      8.743267
  C      -7.651276      3.378395      7.371735
  C      -6.394950      2.675067      7.628649
  O      -5.543794      3.157378      8.406713
  C      -6.068721      1.374556      6.886529
  C      -8.638347      2.859195      6.517458
  C      -9.774818      3.587086      6.173772
  O     -10.628770      2.954872      5.320748
  H      -0.426000      0.230707     -2.337320
  H      -1.355985     -0.389836     -3.736671
  H      -1.042540     -1.418449     -2.282658
  H      -4.946801      0.158301     -1.031090
  H      -6.060124     -0.432232      2.304728
  H      -3.734374     -1.316098      5.433834
  H      -2.446294     -1.709682      4.267829
  H      -1.587101     -0.774495      2.502129
  H      -0.065159     -0.641316      0.880656
  H      -9.304975      9.433173      6.010131
  H      -8.386847     10.138182      4.660236
  H     -10.173407     10.019282      4.557674
  H      -6.933475      8.746410      5.766139
  H      -4.960990      8.237232      6.706680
  H      -3.002633      5.686931      5.688134
  H      -3.783580      5.300469      7.210569
  H      -6.951793      4.087039      4.041207
  H      -9.636937      6.266669      3.216210
  H     -12.106635      5.203991      4.597563
  H     -12.704291      4.445025      6.117633
  H     -13.073344      6.155230      5.732178
  H      -9.091039      6.427078      7.935347
  H      -6.210026      4.557635      8.851689
  H      -6.465272      1.427838      5.865664
  H      -6.611510      0.550047      7.388035
  H      -8.530044      1.868825      6.076084
  H     -11.340551      3.555366      5.036890
  N      -3.567462      2.172684      3.610914
  H      -3.097171      1.584469      2.928153
  H      -4.237616      2.799620      3.166681
95
Coordinates from ORCA-job orca E -6661.014949683736
  N      -2.373680      0.267838      5.000325
  Mo     -3.386927      1.947888      5.585282
  N      -4.638773      1.096673      6.855245
  C      -4.148631      0.496697      8.102109
  C      -2.664656      0.207682      7.982157
  N      -1.997965      1.347401      7.290992
  C      -0.729715      0.939692      6.641672
  C      -1.057688     -0.050991      5.532375
  C      -1.788118      2.505728      8.199091
  C      -1.681344      3.744604      7.333437
  N      -2.754000      3.659730      6.343008
  H      -0.269862     -0.006614      4.756564
  H      -1.046932     -1.084408      5.923984
  H      -0.263524      1.844907      6.232054
  H      -0.039787      0.503401      7.383417
  H      -1.798112      4.644772      7.956813
  H      -0.695447      3.823127      6.844235
  H      -2.676950      2.587477      8.837782
  H      -0.901414      2.340901      8.833787
  H      -4.689973     -0.442255      8.316628
  H      -4.350171      1.183916      8.941130
  H      -2.505415     -0.689447      7.375690
  H      -2.203124      0.039662      8.968922
  C      -1.326390     -0.380905     -2.662144
  C      -2.595458      0.147822     -2.050952
  O      -3.411372      0.766665     -2.724269
  C      -2.903641     -0.108168     -0.591693
  C      -4.248568     -0.044655     -0.230825
  C      -4.676832     -0.271524      1.081406
  O      -5.989157     -0.206453      1.358139
  C      -3.705859     -0.541317      2.088807
  C      -4.143927     -0.712133      3.471471
  O      -5.355929     -0.729017      3.772039
  C      -3.120923     -0.919602      4.586520
  C      -2.343153     -0.589784      1.721863
  C      -1.934864     -0.391645      0.409385
  O      -0.612630     -0.430304      0.057951
  C      -9.260048      9.515827      4.911460
  C      -9.161359      8.153534      4.294330
  O     -10.063955      7.741862      3.539300
  C      -8.005415      7.280521      4.591805
  C      -6.927083      7.722680      5.372725
  C      -5.849077      6.893485      5.665979
  O      -4.791950      7.319832      6.412439
  C      -5.851312      5.551427      5.192559
  C      -4.816764      4.582544      5.525694
  O      -5.000140      3.365872      5.229206
  C      -3.537310      4.875976      6.220959
  C      -6.928272      5.108609      4.403468
  C      -7.992926      5.946929      4.081608
  O      -8.990797      5.471569      3.320076
  C     -12.303530      5.359253      5.628919
  C     -11.058688      5.843927      6.333718
  O     -10.955807      7.029106      6.637137
  C      -9.939546      4.895519      6.669422
  C      -8.968691      5.408442      7.537099
  C      -7.840791      4.681965      7.907953
  O      -6.943682      5.253562      8.735444
  C      -7.651397      3.375987      7.362368
  C      -6.394149      2.676115      7.623532
  O      -5.547053      3.160547      8.404890
  C      -6.062237      1.376722      6.882465
  C      -8.633747      2.853545      6.504747
  C      -9.771082      3.578022      6.156075
  O     -10.620058      2.941595      5.301571
  H      -0.481311      0.255275     -2.357891
  H      -1.424067     -0.355066     -3.753166
  H      -1.093952     -1.394882     -2.310465
  H      -4.984535      0.185421     -1.001976
  H      -6.060619     -0.414842      2.344269
  H      -3.695882     -1.336791      5.436638
  H      -2.416176     -1.701490      4.253045
  H      -1.586014     -0.781667      2.485054
  H      -0.084955     -0.648424      0.847548
  H      -9.305834      9.421051      6.007155
  H      -8.383011     10.131706      4.663562
  H     -10.168809     10.008894      4.552209
  H      -6.928954      8.740269      5.767997
  H      -4.956761      8.233917      6.710134
  H      -2.993087      5.684712      5.693935
  H      -3.777732      5.300880      7.215376
  H      -6.936815      4.083298      4.036821
  H      -9.620357      6.262323      3.204690
  H     -12.082213      5.190501      4.558839
  H     -12.704933      4.433539      6.069510
  H     -13.067010      6.143561      5.677255
  H      -9.103251      6.419907      7.920462
  H      -6.219406      4.560189      8.847237
  H      -6.452210      1.430230      5.859051
  H      -6.608216      0.551509      7.379495
  H      -8.522167      1.862193      6.066292
  H     -11.330660      3.539879      5.010290
  N      -3.536516      2.172882      3.618230
  H      -3.063548      1.583323      2.938549
  H      -4.203106      2.800969      3.170190
95
Coordinates from ORCA-job orca E -6661.014958758324
  N      -2.364444      0.272016      5.004717
  Mo     -3.378408      1.952447      5.587307
  N      -4.635401      1.100980      6.853340
  C      -4.149945      0.501044      8.101701
  C      -2.665869      0.210789      7.986239
  N      -1.996380      1.350135      7.296949
  C      -0.725894      0.941467      6.651959
  C      -1.051230     -0.049347      5.542157
  C      -1.788392      2.507772      8.206540
  C      -1.678078      3.747014      7.341825
  N      -2.748667      3.663133      6.348918
  H      -0.260510     -0.007782      4.769216
  H      -1.043960     -1.082442      5.934834
  H      -0.257967      1.846380      6.243685
  H      -0.038605      0.505131      7.396107
  H      -1.795966      4.646787      7.965560
  H      -0.691113      3.825483      6.854961
  H      -2.679216      2.590139      8.842370
  H      -0.904026      2.341781      8.844181
  H      -4.692457     -0.437635      8.314663
  H      -4.353521      1.188224      8.940255
  H      -2.505990     -0.686619      7.380452
  H      -2.206953      0.042778      8.974209
  C      -1.347974     -0.390370     -2.672301
  C      -2.614622      0.138850     -2.056549
  O      -3.435723      0.752152     -2.728687
  C      -2.915132     -0.111958     -0.594667
  C      -4.257272     -0.035862     -0.225447
  C      -4.679590     -0.257750      1.089336
  O      -5.989478     -0.179712      1.374658
  C      -3.704995     -0.536607      2.091075
  C      -4.136366     -0.702826      3.476296
  O      -5.346655     -0.708112      3.784206
  C      -3.108169     -0.915960      4.585263
  C      -2.345229     -0.598364      1.715746
  C      -1.943020     -0.403807      0.400876
  O      -0.623389     -0.455416      0.041524
  C      -9.262915      9.511027      4.923105
  C      -9.159646      8.151837      4.299999
  O     -10.061669      7.740265      3.544214
  C      -8.001988      7.280439      4.595667
  C      -6.925699      7.722107      5.379638
  C      -5.846483      6.894429      5.672196
  O      -4.791225      7.320894      6.421329
  C      -5.845413      5.553640      5.195477
  C      -4.810040      4.585519      5.527743
  O      -4.989880      3.369471      5.225795
  C      -3.533350      4.878740      6.228268
  C      -6.920255      5.110876      4.403327
  C      -7.985794      5.948040      4.081595
  O      -8.981193      5.472701      3.316783
  C     -12.304389      5.352951      5.610810
  C     -11.065772      5.837042      6.326777
  O     -10.968645      7.020509      6.638534
  C      -9.944349      4.890593      6.660949
  C      -8.976144      5.403748      7.531714
  C      -7.846920      4.679546      7.902466
  O      -6.952578      5.251644      8.732882
  C      -7.653169      3.375377      7.354099
  C      -6.395078      2.677830      7.616687
  O      -5.550613      3.163160      8.400367
  C      -6.058884      1.380140      6.874447
  C      -8.632503      2.852600      6.493410
  C      -9.771239      3.574997      6.144523
  O     -10.617854      2.937631      5.288375
  H      -0.500224      0.242106     -2.367982
  H      -1.448159     -0.361635     -3.762991
  H      -1.117923     -1.406002     -2.323619
  H      -4.995672      0.200116     -0.992484
  H      -6.056457     -0.388252      2.361162
  H      -3.678931     -1.340139      5.434918
  H      -2.401079     -1.692836      4.245533
  H      -1.584908     -0.798196      2.473779
  H      -0.093093     -0.677837      0.828187
  H      -9.316523      9.410636      6.018013
  H      -8.385108     10.129508      4.685135
  H     -10.170144     10.004564      4.560499
  H      -6.930153      8.738514      5.778021
  H      -4.957692      8.234405      6.719874
  H      -2.988720      5.689388      5.704550
  H      -3.776872      5.300427      7.223198
  H      -6.926746      4.086306      4.034592
  H      -9.613641      6.261910      3.204993
  H     -12.074695      5.186594      4.542122
  H     -12.707736      4.425540      6.046094
  H     -13.069151      6.136183      5.655426
  H      -9.114245      6.413781      7.917552
  H      -6.227185      4.559555      8.844642
  H      -6.444370      1.435229      5.849378
  H      -6.607161      0.553657      7.366941
  H      -8.517922      1.862190      6.053591
  H     -11.327552      3.535607      4.994256
  N      -3.517137      2.180719      3.619877
  H      -3.044201      1.591438      2.939984
  H      -4.182193      2.810448      3.171784
95
Coordinates from ORCA-job orca E -6661.014966832916
  N      -2.349344      0.272453      5.014860
  Mo     -3.366996      1.951796      5.595240
  N      -4.628896      1.100498      6.856965
  C      -4.149147      0.501744      8.107751
  C      -2.664863      0.210540      7.998251
  N      -1.992730      1.349449      7.310709
  C      -0.719506      0.940525      6.670970
  C      -1.040657     -0.051743      5.561831
  C      -1.788325      2.507453      8.220949
  C      -1.673845      3.746407      7.356322
  N      -2.740737      3.662522      6.359252
  H      -0.245221     -0.015278      4.793532
  H      -1.038659     -1.083797      5.957556
  H      -0.251020      1.845395      6.263089
  H      -0.034453      0.505978      7.418180
  H      -1.794104      4.646198      7.979576
  H      -0.685075      3.824904      6.873228
  H      -2.681955      2.590956      8.852685
  H      -0.907240      2.341379      8.863069
  H      -4.693076     -0.436323      8.319811
  H      -4.355383      1.190132      8.944688
  H      -2.503700     -0.687576      7.393724
  H      -2.209638      0.043040      8.987970
  C      -1.400483     -0.370365     -2.684038
  C      -2.661872      0.155904     -2.054798
  O      -3.490524      0.769272     -2.717438
  C      -2.947099     -0.097757     -0.590230
  C      -4.285598     -0.023172     -0.207346
  C      -4.694709     -0.247533      1.111158
  O      -6.001390     -0.168764      1.410265
  C      -3.710232     -0.529404      2.102407
  C      -4.127598     -0.698132      3.491401
  O      -5.334737     -0.702605      3.811775
  C      -3.088230     -0.916616      4.588881
  C      -2.354422     -0.590289      1.713294
  C      -1.965098     -0.391154      0.395244
  O      -0.648983     -0.440214      0.023057
  C      -9.258721      9.502639      4.915393
  C      -9.150557      8.144125      4.291554
  O     -10.048825      7.732086      3.531655
  C      -7.992230      7.274794      4.589895
  C      -6.919916      7.716898      5.379156
  C      -5.840281      6.890864      5.674699
  O      -4.789081      7.318006      6.429163
  C      -5.834554      5.550977      5.195534
  C      -4.800031      4.583442      5.531284
  O      -4.977099      3.367413      5.226936
  C      -3.527023      4.877166      6.238027
  C      -6.905341      5.107657      4.398032
  C      -7.970915      5.943401      4.073072
  O      -8.961935      5.467814      3.302638
  C     -12.296588      5.344252      5.577034
  C     -11.064873      5.827775      6.304856
  O     -10.973140      7.010059      6.622920
  C      -9.943316      4.882721      6.642424
  C      -8.979417      5.396847      7.517633
  C      -7.850394      4.674567      7.892352
  O      -6.960436      5.247931      8.726980
  C      -7.651845      3.371320      7.343686
  C      -6.393754      2.675845      7.611629
  O      -5.553217      3.162930      8.398342
  C      -6.052626      1.378494      6.870751
  C      -8.626459      2.847597      6.478406
  C      -9.765387      3.567941      6.125709
  O     -10.607330      2.929196      5.265835
  H      -0.549548      0.260141     -2.385057
  H      -1.510750     -0.337994     -3.773641
  H      -1.168463     -1.387590     -2.340957
  H      -5.031554      0.214386     -0.966522
  H      -6.058293     -0.379536      2.397036
  H      -3.649167     -1.353328      5.438928
  H      -2.378056     -1.684690      4.236302
  H      -1.586525     -0.792281      2.463120
  H      -0.110443     -0.663200      0.803920
  H      -9.319737      9.401920      6.009880
  H      -8.379908     10.122282      4.684254
  H     -10.164137      9.995420      4.547250
  H      -6.927776      8.732664      5.779210
  H      -4.958400      8.230946      6.727882
  H      -2.981484      5.689488      5.717828
  H      -3.775129      5.296497      7.232787
  H      -6.908244      4.083748      4.027453
  H      -9.595842      6.255894      3.190578
  H     -12.057472      5.176159      4.510736
  H     -12.704216      4.417573      6.010139
  H     -13.061407      6.127784      5.614149
  H      -9.120906      6.406492      7.903228
  H      -6.234123      4.557409      8.840820
  H      -6.433194      1.433799      5.843875
  H      -6.602871      0.551266      7.359763
  H      -8.507570      1.858152      6.037614
  H     -11.316702      3.526178      4.968848
  N      -3.495904      2.181442      3.627172
  H      -3.021733      1.592307      2.948038
  H      -4.159492      2.811701      3.177609
95
Coordinates from ORCA-job orca E -6661.014971962601
  N      -2.340461      0.273099      5.020806
  Mo     -3.359651      1.952543      5.599476
  N      -4.625055      1.102887      6.858780
  C      -4.149565      0.505199      8.111427
  C      -2.665416      0.211855      8.005858
  N      -1.990473      1.349537      7.318950
  C      -0.715928      0.938872      6.682812
  C      -1.035160     -0.053814      5.573936
  C      -1.787248      2.508154      8.228919
  C      -1.669540      3.746427      7.363768
  N      -2.734630      3.663012      6.364636
  H      -0.236762     -0.020964      4.808569
  H      -1.037187     -1.085306      5.971424
  H      -0.245965      1.843232      6.275318
  H      -0.033168      0.504700      7.432283
  H      -1.790194      4.646662      7.986293
  H      -0.679825      3.823806      6.882447
  H      -2.682478      2.593581      8.858158
  H      -0.908307      2.341732      8.873844
  H      -4.695411     -0.431681      8.323752
  H      -4.356613      1.195330      8.946797
  H      -2.504456     -0.687058      7.402278
  H      -2.212847      0.044401      8.996763
  C      -1.427242     -0.361039     -2.692619
  C      -2.687122      0.160784     -2.056456
  O      -3.521393      0.771430     -2.714414
  C      -2.963718     -0.094061     -0.590270
  C      -4.299790     -0.016614     -0.199229
  C      -4.701986     -0.240088      1.121607
  O      -6.006468     -0.156121      1.428380
  C      -3.712760     -0.526087      2.106841
  C      -4.122068     -0.693640      3.498278
  O      -5.327182     -0.692911      3.826420
  C      -3.076673     -0.915943      4.589475
  C      -2.359664     -0.591080      1.709446
  C      -1.977011     -0.391106      0.389510
  O      -0.663087     -0.443899      0.010497
  C      -9.258515      9.496373      4.915724
  C      -9.146370      8.138585      4.290909
  O     -10.042346      7.725911      3.528671
  C      -7.986841      7.271328      4.589575
  C      -6.916973      7.713795      5.382130
  C      -5.836184      6.889299      5.678002
  O      -4.787690      7.316613      6.436121
  C      -5.826432      5.550693      5.195223
  C      -4.792275      4.583654      5.532525
  O      -4.967535      3.367745      5.226013
  C      -3.521775      4.877301      6.243536
  C      -6.894707      5.107181      4.394308
  C      -7.961384      5.941369      4.069327
  O      -8.949841      5.465650      3.295664
  C     -12.294733      5.337566      5.557581
  C     -11.068471      5.821503      6.294000
  O     -10.982066      7.002740      6.617742
  C      -9.945401      4.878597      6.632299
  C      -8.984272      5.393927      7.509923
  C      -7.854504      4.673754      7.886328
  O      -6.967949      5.248256      8.723991
  C      -7.651784      3.371599      7.336663
  C      -6.392731      2.678498      7.606781
  O      -5.554468      3.166975      8.394945
  C      -6.048798      1.380913      6.867337
  C      -8.623550      2.846620      6.469006
  C      -9.763555      3.564586      6.115030
  O     -10.603059      2.923902      5.253944
  H      -0.574637      0.266144     -2.392017
  H      -1.541122     -0.322459     -3.781645
  H      -1.195933     -1.380949     -2.356588
  H      -5.049307      0.223727     -0.954023
  H      -6.058654     -0.366555      2.415467
  H      -3.632094     -1.360144      5.439303
  H      -2.364504     -1.678689      4.229525
  H      -1.588153     -0.797307      2.454423
  H      -0.120844     -0.668323      0.788367
  H      -9.323483      9.395350      6.009948
  H      -8.379532     10.117228      4.688350
  H     -10.163249      9.988237      4.544712
  H      -6.927643      8.728678      5.784364
  H      -4.959787      8.228368      6.736901
  H      -2.975408      5.690876      5.726166
  H      -3.772793      5.294549      7.238427
  H      -6.894334      4.084302      4.020900
  H      -9.585377      6.252523      3.184644
  H     -12.049661      5.169872      4.492623
  H     -12.703621      4.410347      5.988548
  H     -13.060795      6.120039      5.590901
  H      -9.128845      6.402979      7.895938
  H      -6.240222      4.559480      8.838473
  H      -6.425779      1.436715      5.839157
  H      -6.600815      0.553496      7.353948
  H      -8.500840      1.858417      6.026499
  H     -11.313887      3.519213      4.957033
  N      -3.481948      2.182024      3.630876
  H      -3.005600      1.593974      2.952341
  H      -4.144314      2.812731      3.180058
95
Coordinates from ORCA-job orca E -6661.014975940406
  N      -2.326767      0.275290      5.029778
  Mo     -3.349085      1.954007      5.606880
  N      -4.619012      1.104895      6.861804
  C      -4.149066      0.507656      8.116535
  C      -2.664912      0.212732      8.016176
  N      -1.986752      1.349825      7.331509
  C      -0.710050      0.938320      6.700130
  C      -1.025942     -0.054856      5.591297
  C      -1.786252      2.508526      8.242043
  C      -1.664736      3.746685      7.377312
  N      -2.726788      3.664113      6.374890
  H      -0.223376     -0.026182      4.830171
  H      -1.033336     -1.085722      5.990686
  H      -0.238689      1.842355      6.293437
  H      -0.030117      0.504759      7.452495
  H      -1.786534      4.647081      7.999358
  H      -0.673559      3.823171      6.898861
  H      -2.683910      2.594906      8.867712
  H      -0.910082      2.341534      8.890573
  H      -4.696842     -0.428298      8.327828
  H      -4.358095      1.198925      8.950536
  H      -2.503084     -0.686275      7.412883
  H      -2.215900      0.044672      9.008571
  C      -1.472904     -0.348591     -2.704740
  C      -2.727630      0.171301     -2.056862
  O      -3.567915      0.782701     -2.706296
  C      -2.991133     -0.085886     -0.588540
  C      -4.323449     -0.007059     -0.185157
  C      -4.714146     -0.231053      1.139118
  O      -6.015529     -0.144081      1.457741
  C      -3.716723     -0.520222      2.114920
  C      -4.113501     -0.687033      3.509964
  O      -5.315572     -0.682582      3.849336
  C      -3.058883     -0.913935      4.591427
  C      -2.367480     -0.587231      1.704969
  C      -1.996206     -0.385995      0.381942
  O      -0.685843     -0.441063     -0.008579
  C      -9.255031      9.489416      4.913073
  C      -9.137592      8.133449      4.285319
  O     -10.030227      7.721007      3.518922
  C      -7.977986      7.267419      4.586729
  C      -6.912722      7.709881      5.385597
  C      -5.831462      6.886840      5.684006
  O      -4.787400      7.313947      6.448306
  C      -5.816462      5.549768      5.197002
  C      -4.782415      4.583817      5.537015
  O      -4.954566      3.368159      5.227083
  C      -3.515439      4.877606      6.254053
  C      -6.880119      5.106376      4.389822
  C      -7.947197      5.939087      4.062534
  O      -8.930849      5.463280      3.282955
  C     -12.290156      5.327210      5.527212
  C     -11.070331      5.811735      6.273726
  O     -10.990136      6.991757      6.603571
  C      -9.946329      4.871006      6.615170
  C      -8.989270      5.388081      7.496179
  C      -7.859065      4.670381      7.875985
  O      -6.976569      5.246759      8.716665
  C      -7.651548      3.368932      7.326615
  C      -6.392073      2.678238      7.601507
  O      -5.557268      3.168976      8.391853
  C      -6.043003      1.381486      6.863136
  C      -8.619172      2.842160      6.455412
  C      -9.759707      3.557536      6.098049
  O     -10.594889      2.914593      5.234263
  H      -0.616706      0.274861     -2.406953
  H      -1.594977     -0.304693     -3.792676
  H      -1.241825     -1.370952     -2.375757
  H      -5.079239      0.235658     -0.932919
  H      -6.059425     -0.354324      2.445190
  H      -3.605178     -1.369379      5.441259
  H      -2.344184     -1.668794      4.220015
  H      -1.589685     -0.796908      2.442423
  H      -0.137040     -0.666301      0.764436
  H      -9.324674      9.386116      6.006796
  H      -8.375926     10.112047      4.690980
  H     -10.158871      9.980737      4.539213
  H      -6.927430      8.723570      5.790682
  H      -4.962962      8.224267      6.751434
  H      -2.968105      5.693437      5.741306
  H      -3.771074      5.291458      7.249193
  H      -6.875397      4.084736      4.013077
  H      -9.567976      6.248799      3.171486
  H     -12.037374      5.158820      4.464247
  H     -12.701709      4.400140      5.956200
  H     -13.057156      6.108983      5.554729
  H      -9.137543      6.396717      7.881890
  H      -6.246851      4.560318      8.832113
  H      -6.414607      1.438011      5.833025
  H      -6.596620      0.553002      7.346016
  H      -8.492260      1.854763      6.012291
  H     -11.307218      3.507642      4.936430
  N      -3.462222      2.184400      3.637723
  H      -2.983945      1.596652      2.960330
  H      -4.122926      2.815529      3.185030
95
Coordinates from ORCA-job orca E -6661.014982492588
  N      -2.298473      0.279740      5.048474
  Mo     -3.326146      1.957868      5.621313
  N      -4.605969      1.111011      6.867203
  C      -4.147395      0.514698      8.126179
  C      -2.663331      0.216016      8.036358
  N      -1.977952      1.351341      7.356108
  C      -0.696974      0.937340      6.734597
  C      -1.006454     -0.057006      5.625896
  C      -1.782267      2.510032      8.267703
  C      -1.653240      3.747934      7.403758
  N      -2.709594      3.667017      6.395314
  H      -0.195908     -0.036566      4.873118
  H      -1.024675     -1.086602      6.028791
  H      -0.222085      1.840195      6.329340
  H      -0.023132      0.504626      7.492882
  H      -1.776814      4.648772      8.024759
  H      -0.659324      3.822174      6.930714
  H      -2.684368      2.598173      8.886736
  H      -0.911175      2.341677      8.922683
  H      -4.699188     -0.419382      8.335096
  H      -4.360496      1.207947      8.957606
  H      -2.499972     -0.683266      7.433898
  H      -2.221472      0.046839      9.031747
  C      -1.570385     -0.326099     -2.727991
  C      -2.812194      0.192923     -2.055101
  O      -3.663600      0.807871     -2.686362
  C      -3.048561     -0.069056     -0.582897
  C      -4.372228      0.016075     -0.153276
  C      -4.738696     -0.209382      1.177696
  O      -6.033037     -0.113868      1.521702
  C      -3.724698     -0.507884      2.133108
  C      -4.095437     -0.673277      3.535299
  O      -5.290789     -0.659285      3.897891
  C      -3.022175     -0.909762      4.596173
  C      -2.384146     -0.581983      1.696469
  C      -2.037046     -0.378836      0.367121
  O      -0.734947     -0.442237     -0.048350
  C      -9.249812      9.473875      4.911807
  C      -9.120350      8.122212      4.277167
  O     -10.004964      7.710004      3.501143
  C      -7.959307      7.259993      4.582736
  C      -6.903520      7.702210      5.394371
  C      -5.821122      6.882220      5.697163
  O      -4.786067      7.308604      6.473992
  C      -5.795418      5.548468      5.201333
  C      -4.760825      4.585013      5.545653
  O      -4.926171      3.370127      5.227955
  C      -3.500930      4.879014      6.274869
  C      -6.849489      5.105693      4.381297
  C      -7.917334      5.935585      4.049690
  O      -8.891105      5.460410      3.257625
  C     -12.279911      5.305107      5.459177
  C     -11.075179      5.790430      6.229248
  O     -11.009297      6.967290      6.573216
  C      -9.949337      4.854372      6.577986
  C      -9.002835      5.374117      7.468737
  C      -7.871845      4.661849      7.856315
  O      -7.000319      5.240755      8.706549
  C      -7.652069      3.363219      7.305266
  C      -6.390972      2.678837      7.589125
  O      -5.565302      3.172699      8.387045
  C      -6.030364      1.384178      6.852982
  C      -8.609492      2.833221      6.424762
  C      -9.751025      3.542989      6.059528
  O     -10.575347      2.896092      5.188149
  H      -0.705784      0.289165     -2.437938
  H      -1.710241     -0.271916     -3.813305
  H      -1.340486     -1.353131     -2.412675
  H      -5.140705      0.266217     -0.885518
  H      -6.059353     -0.324358      2.509521
  H      -3.549295     -1.387953      5.445735
  H      -2.303013     -1.648380      4.201383
  H      -1.593447     -0.800804      2.417355
  H      -0.172971     -0.671541      0.713924
  H      -9.329243      9.364151      6.004252
  H      -8.371200     10.101258      4.701422
  H     -10.152156      9.963664      4.532436
  H      -6.927041      8.712907      5.806348
  H      -4.968817      8.215631      6.782667
  H      -2.951688      5.699397      5.771610
  H      -3.765921      5.285960      7.270415
  H      -6.836248      4.086671      3.997713
  H      -9.531403      6.243106      3.145748
  H     -12.008459      5.137664      4.400826
  H     -12.697503      4.377223      5.880901
  H     -13.049143      6.085001      5.474489
  H      -9.160575      6.380705      7.856011
  H      -6.267385      4.558492      8.826068
  H      -6.389935      1.441949      5.818646
  H      -6.587448      0.553345      7.327694
  H      -8.473130      1.847775      5.980084
  H     -11.290797      3.484025      4.887762
  N      -3.418994      2.190657      3.650971
  H      -2.936805      1.602584      2.976713
  H      -4.076646      2.821782      3.193777
95
Coordinates from ORCA-job orca E -6661.014982755835
  N      -2.232834      0.291193      5.091262
  Mo     -3.273704      1.966973      5.655241
  N      -4.575772      1.123072      6.878635
  C      -4.142787      0.527820      8.146385
  C      -2.659135      0.221996      8.080798
  N      -1.957914      1.354542      7.412438
  C      -0.667108      0.936377      6.813379
  C      -0.961015     -0.059748      5.703794
  C      -1.774170      2.512351      8.327684
  C      -1.628843      3.750644      7.467010
  N      -2.671563      3.673759      6.444381
  H      -0.132715     -0.055927      4.970615
  H      -1.002910     -1.086894      6.112407
  H      -0.184583      1.837168      6.412538
  H      -0.007063      0.505153      7.584518
  H      -1.757301      4.651780      8.086479
  H      -0.628586      3.820901      7.007027
  H      -2.686078      2.602801      8.931916
  H      -0.914440      2.340907      8.996756
  H      -4.702837     -0.402834      8.348135
  H      -4.366258      1.224092      8.972725
  H      -2.491029     -0.677124      7.479489
  H      -2.233836      0.049711      9.082829
  C      -1.804804     -0.269582     -2.774876
  C      -3.014408      0.245617     -2.043277
  O      -3.891412      0.868076     -2.630525
  C      -3.186080     -0.028316     -0.564070
  C      -4.487631      0.066644     -0.073709
  C      -4.795960     -0.164450      1.271003
  O      -6.072273     -0.055171      1.673685
  C      -3.743464     -0.480579      2.177662
  C      -4.051627     -0.644865      3.594810
  O      -5.229186     -0.614382      4.011837
  C      -2.935083     -0.898638      4.605628
  C      -2.425092     -0.565832      1.678990
  C      -2.136158     -0.356875      0.336578
  O      -0.855251     -0.434147     -0.137147
  C      -9.236458      9.439157      4.905703
  C      -9.078766      8.098346      4.254659
  O      -9.943253      7.688079      3.454786
  C      -7.915533      7.243974      4.571972
  C      -6.882835      7.684872      5.413730
  C      -5.798823      6.871473      5.728326
  O      -4.785332      7.295906      6.534112
  C      -5.748555      5.545399      5.213702
  C      -4.712785      4.587581      5.568256
  O      -4.861978      3.374831      5.232572
  C      -3.469476      4.881890      6.325109
  C      -6.779386      5.104475      4.363755
  C      -7.847718      5.928570      4.019926
  O      -8.797228      5.455512      3.198167
  C     -12.249598      5.254871      5.297881
  C     -11.081162      5.740692      6.121642
  O     -11.047945      6.909774      6.495256
  C      -9.951951      4.814894      6.488183
  C      -9.030164      5.340376      7.401162
  C      -7.898358      4.640032      7.807626
  O      -7.051677      5.224818      8.678388
  C      -7.651477      3.347235      7.254551
  C      -6.388480      2.675730      7.561073
  O      -5.584012      3.176323      8.376345
  C      -6.000647      1.387131      6.829172
  C      -8.584843      2.810435      6.352516
  C      -9.727419      3.508204      5.967728
  O     -10.526479      2.852724      5.079315
  H      -0.923019      0.331573     -2.508472
  H      -1.988439     -0.195394     -3.852426
  H      -1.573162     -1.304727     -2.488117
  H      -5.285560      0.331445     -0.768370
  H      -6.056212     -0.267555      2.661069
  H      -3.415267     -1.430683      5.451401
  H      -2.206581     -1.596181      4.156803
  H      -1.604385     -0.801415      2.359998
  H      -0.262600     -0.671676      0.598896
  H      -9.339298      9.312915      5.994435
  H      -8.359403     10.077560      4.723957
  H     -10.134758      9.926024      4.513315
  H      -6.926807      8.688572      5.840658
  H      -4.984759      8.195222      6.854755
  H      -2.916785      5.713008      5.843912
  H      -3.756068      5.272742      7.321180
  H      -6.746893      4.091344      3.965926
  H      -9.444186      6.232020      3.083801
  H     -11.934503      5.090732      4.251455
  H     -12.681620      4.324837      5.700751
  H     -13.022606      6.031019      5.285085
  H      -9.208882      6.342477      7.790894
  H      -6.311709      4.551951      8.807383
  H      -6.332463      1.447896      5.785712
  H      -6.564480      0.550094      7.284480
  H      -8.428246      1.828517      5.906600
  H     -11.248795      3.428641      4.772352
  N      -3.321026      2.206604      3.683312
  H      -2.827993      1.619332      3.016415
  H      -3.970132      2.839191      3.215877
95
Coordinates from ORCA-job orca E -6661.014995564389
  N      -2.266357      0.282307      5.073670
  Mo     -3.300435      1.960032      5.640707
  N      -4.590528      1.117126      6.877195
  C      -4.143894      0.522818      8.141150
  C      -2.660250      0.219805      8.062718
  N      -1.966687      1.352436      7.386703
  C      -0.681289      0.935099      6.776227
  C      -0.983624     -0.060876      5.667618
  C      -1.775892      2.511885      8.298185
  C      -1.638742      3.748546      7.433741
  N      -2.689298      3.668953      6.419283
  H      -0.164428     -0.048219      4.924208
  H      -1.012970     -1.089346      6.073339
  H      -0.201961      1.836121      6.372299
  H      -0.014295      0.503066      7.540967
  H      -1.763199      4.650725      8.052553
  H      -0.642008      3.818931      6.966189
  H      -2.682362      2.602184      8.910512
  H      -0.909794      2.342661      8.959607
  H      -4.700090     -0.409114      8.347781
  H      -4.361602      1.218472      8.969414
  H      -2.495010     -0.679978      7.461722
  H      -2.226001      0.049997      9.061380
  C      -1.692378     -0.284132     -2.752508
  C      -2.919047      0.228634     -2.048231
  O      -3.785526      0.846197     -2.656096
  C      -3.121532     -0.042321     -0.572521
  C      -4.434065      0.045633     -0.111044
  C      -4.770126     -0.186266      1.226770
  O      -6.055923     -0.087615      1.601105
  C      -3.735267     -0.493520      2.156921
  C      -4.073984     -0.661681      3.566886
  O      -5.260829     -0.643040      3.956901
  C      -2.978894     -0.906828      4.602873
  C      -2.405611     -0.570579      1.687559
  C      -2.089257     -0.362399      0.351282
  O      -0.797833     -0.431353     -0.094916
  C      -9.238311      9.457089      4.901946
  C      -9.096061      8.109853      4.260662
  O      -9.969779      7.698871      3.471485
  C      -7.934916      7.250781      4.574192
  C      -6.891015      7.692533      5.401301
  C      -5.808852      6.875268      5.711839
  O      -4.784688      7.300736      6.503484
  C      -5.771921      5.544582      5.208334
  C      -4.736438      4.584312      5.558266
  O      -4.893995      3.370210      5.232558
  C      -3.483907      4.878950      6.299751
  C      -6.814118      5.102444      4.373126
  C      -7.881106      5.930107      4.033329
  O      -8.842451      5.455973      3.225934
  C     -12.264735      5.276247      5.374707
  C     -11.077296      5.764160      6.169841
  O     -11.027054      6.938207      6.525274
  C      -9.949871      4.833801      6.529875
  C      -9.016206      5.357794      7.431539
  C      -7.885138      4.651876      7.830521
  O      -7.026199      5.235001      8.690265
  C      -7.651868      3.354960      7.280861
  C      -6.390338      2.676908      7.578015
  O      -5.575729      3.174791      8.384950
  C      -6.015459      1.384843      6.845325
  C      -8.596944      2.820202      6.389812
  C      -9.738525      3.523787      6.012683
  O     -10.549790      2.871513      5.133297
  H      -0.820756      0.326471     -2.473828
  H      -1.855117     -0.218569     -3.833971
  H      -1.457529     -1.314900     -2.453430
  H      -5.218510      0.303683     -0.823357
  H      -6.059384     -0.301410      2.588480
  H      -3.482496     -1.413481      5.450495
  H      -2.254895     -1.625111      4.180229
  H      -1.598365     -0.796978      2.387462
  H      -0.220019     -0.665555      0.653862
  H      -9.324797      9.340995      5.993162
  H      -8.361561     10.090130      4.700811
  H     -10.140291      9.944314      4.518494
  H      -6.924488      8.700165      5.819884
  H      -4.975600      8.203974      6.818237
  H      -2.933448      5.704771      5.806993
  H      -3.758939      5.278053      7.295828
  H      -6.792246      4.085620      3.984097
  H      -9.485234      6.235974      3.111218
  H     -11.971881      5.108104      4.322320
  H     -12.689567      4.348264      5.789281
  H     -13.036108      6.054163      5.374675
  H      -9.184530      6.362710      7.818648
  H      -6.290038      4.557216      8.816058
  H      -6.360822      1.442242      5.806139
  H      -6.575409      0.551129      7.311472
  H      -8.451546      1.834868      5.947647
  H     -11.270634      3.451738      4.830933
  N      -3.375524      2.191277      3.669044
  H      -2.887178      1.603244      2.999305
  H      -4.029273      2.822344      3.206172
95
Coordinates from ORCA-job orca E -6661.015003679977
  N      -2.249964      0.285077      5.085255
  Mo     -3.288804      1.960747      5.650932
  N      -4.582952      1.117807      6.882406
  C      -4.141180      0.523178      8.147842
  C      -2.657388      0.220002      8.074675
  N      -1.961393      1.352936      7.401756
  C      -0.673497      0.936311      6.796177
  C      -0.971050     -0.059688      5.686590
  C      -1.774405      2.512134      8.314413
  C      -1.634354      3.749098      7.450839
  N      -2.681440      3.669767      6.432805
  H      -0.147906     -0.048606      4.947575
  H      -1.003993     -1.088100      6.092416
  H      -0.193234      1.837513      6.393778
  H      -0.009073      0.504759      7.563420
  H      -1.760745      4.651146      8.069427
  H      -0.636017      3.819391      6.986729
  H      -2.683126      2.601901      8.923471
  H      -0.910676      2.342937      8.978944
  H      -4.698289     -0.408757      8.351991
  H      -4.362090      1.218532      8.975500
  H      -2.490000     -0.679526      7.473849
  H      -2.226686      0.049705      9.074799
  C      -1.756239     -0.262774     -2.764061
  C      -2.975565      0.245222     -2.043860
  O      -3.850623      0.862322     -2.639856
  C      -3.159844     -0.029591     -0.566515
  C      -4.466754      0.055694     -0.088924
  C      -4.786310     -0.179849      1.252238
  O      -6.067648     -0.083677      1.642361
  C      -3.739989     -0.487738      2.169362
  C      -4.062046     -0.658393      3.582874
  O      -5.244480     -0.641605      3.986422
  C      -2.955254     -0.904900      4.605789
  C      -2.415969     -0.561944      1.683642
  C      -2.116080     -0.350527      0.344050
  O      -0.830082     -0.417216     -0.117786
  C      -9.232194      9.450275      4.894303
  C      -9.083074      8.105689      4.248964
  O      -9.950686      7.695776      3.452562
  C      -7.922759      7.247478      4.567988
  C      -6.885202      7.688487      5.403453
  C      -5.803893      6.872086      5.718977
  O      -4.785688      7.296776      6.518728
  C      -5.761593      5.542844      5.212123
  C      -4.726629      4.583478      5.565863
  O      -4.881049      3.369613      5.237512
  C      -3.477909      4.878499      6.313434
  C      -6.797440      5.101329      4.368814
  C      -7.863219      5.928424      4.023810
  O      -8.818089      5.455073      3.208333
  C     -12.251993      5.266024      5.329947
  C     -11.073689      5.753040      6.139101
  O     -11.029733      6.925700      6.499861
  C      -9.947513      4.823833      6.506112
  C      -9.020727      5.348428      7.414565
  C      -7.890843      4.644329      7.820004
  O      -7.038502      5.227979      8.685928
  C      -7.651399      3.348563      7.270257
  C      -6.390234      2.672985      7.574329
  O      -5.581853      3.171752      8.387028
  C      -6.008314      1.382231      6.843085
  C      -8.589946      2.812804      6.372971
  C      -9.730605      3.514522      5.989322
  O     -10.534892      2.861093      5.104571
  H      -0.883170      0.350068     -2.494871
  H      -1.932248     -0.195478     -3.843329
  H      -1.514352     -1.293334     -2.469997
  H      -5.260116      0.314724     -0.790920
  H      -6.058263     -0.299640      2.629315
  H      -3.445931     -1.426657      5.452010
  H      -2.228277     -1.611520      4.168800
  H      -1.599644     -0.787778      2.373232
  H      -0.243310     -0.652519      0.623647
  H      -9.324349      9.329955      5.984592
  H      -8.355874     10.086106      4.700201
  H     -10.133139      9.936788      4.507542
  H      -6.923236      8.694838      5.824705
  H      -4.980556      8.198301      6.835948
  H      -2.927103      5.707019      5.825639
  H      -3.758152      5.274165      7.309496
  H      -6.771573      4.085528      3.977371
  H      -9.461406      6.234226      3.091326
  H     -11.946840      5.097839      4.281115
  H     -12.682462      4.338337      5.739527
  H     -13.023051      6.044192      5.321449
  H      -9.193433      6.352575      7.801729
  H      -6.302038      4.551252      8.815623
  H      -6.347893      1.438961      5.802018
  H      -6.568730      0.546893      7.305754
  H      -8.440357      1.827852      5.931344
  H     -11.257892      3.438091      4.801227
  N      -3.356788      2.193336      3.679007
  H      -2.864598      1.606318      3.011294
  H      -4.010288      2.822776      3.213612
95
Coordinates from ORCA-job orca E -6661.015015631566
  N      -2.178351      0.299032      5.135279
  Mo     -3.238719      1.964186      5.695417
  N      -4.550228      1.117986      6.903575
  C      -4.129659      0.520443      8.174343
  C      -2.645102      0.218382      8.124457
  N      -1.939639      1.354296      7.466593
  C      -0.640311      0.942480      6.882821
  C      -0.915357     -0.051307      5.766551
  C      -1.770658      2.511435      8.385886
  C      -1.617689      3.750536      7.527450
  N      -2.649201      3.673132      6.493370
  H      -0.075783     -0.043154      5.046376
  H      -0.961280     -1.080715      6.169651
  H      -0.155978      1.845511      6.489545
  H       0.012314      0.511667      7.660520
  H      -1.752934      4.651397      8.145804
  H      -0.612379      3.821166      7.078919
  H      -2.689735      2.598073      8.979663
  H      -0.918112      2.341964      9.064682
  H      -4.689517     -0.412558      8.365858
  H      -4.365817      1.212759      9.000360
  H      -2.467136     -0.679305      7.523707
  H      -2.229969      0.045543      9.130747
  C      -2.041513     -0.158279     -2.804992
  C      -3.230798      0.317512     -2.016188
  O      -4.147613      0.922916     -2.559376
  C      -3.332101      0.026208     -0.534184
  C      -4.611965      0.093839      0.014203
  C      -4.856894     -0.158741      1.367635
  O      -6.116470     -0.078459      1.826942
  C      -3.760159     -0.465064      2.225442
  C      -4.006487     -0.648479      3.652320
  O      -5.167316     -0.646236      4.115824
  C      -2.848315     -0.894270      4.615829
  C      -2.463618     -0.521270      1.667675
  C      -2.238117     -0.293740      0.316034
  O      -0.978136     -0.344540     -0.214149
  C      -9.201812      9.424130      4.851975
  C      -9.024958      8.088422      4.194979
  O      -9.864641      7.683033      3.367224
  C      -7.869507      7.233569      4.540069
  C      -6.860306      7.671427      5.411216
  C      -5.783935      6.858403      5.750425
  O      -4.792850      7.279909      6.585400
  C      -5.718185      5.535063      5.230885
  C      -4.686027      4.579525      5.601636
  O      -4.825479      3.366923      5.260617
  C      -3.454813      4.875881      6.376516
  C      -6.725888      5.095888      4.353203
  C      -7.785380      5.920764      3.984129
  O      -8.711263      5.450717      3.134031
  C     -12.190430      5.222454      5.134955
  C     -11.051610      5.705027      6.001356
  O     -11.032797      6.872399      6.380821
  C      -9.932371      4.779812      6.399193
  C      -9.035721      5.306488      7.336619
  C      -7.912601      4.609230      7.771179
  O      -7.088792      5.195066      8.662960
  C      -7.647584      3.317750      7.222626
  C      -6.389992      2.651011      7.558351
  O      -5.608657      3.152593      8.395715
  C      -5.976918      1.367578      6.831838
  C      -8.557135      2.778577      6.298173
  C      -9.692377      3.473226      5.885365
  O     -10.466230      2.815458      4.977725
  H      -1.169403      0.472827     -2.577283
  H      -2.275846     -0.085479     -3.872718
  H      -1.759725     -1.184930     -2.534076
  H      -5.444386      0.353183     -0.640877
  H      -6.049389     -0.305017      2.809972
  H      -3.279818     -1.481499      5.452153
  H      -2.108502     -1.545213      4.118003
  H      -1.607546     -0.741602      2.309723
  H      -0.351849     -0.582685      0.493284
  H      -9.317987      9.290503      5.938339
  H      -8.327259     10.070183      4.685309
  H     -10.097742      9.906966      4.449245
  H      -6.917847      8.672792      5.842025
  H      -5.004790      8.174589      6.910966
  H      -2.903449      5.717022      5.911529
  H      -3.758016      5.254721      7.372627
  H      -6.682961      4.084182      3.952734
  H      -9.355841      6.226784      3.005175
  H     -11.834255      5.051881      4.102882
  H     -12.645461      4.297290      5.523949
  H     -12.957710      6.003023      5.089797
  H      -9.226237      6.307824      7.722687
  H      -6.351493      4.522544      8.809304
  H      -6.291469      1.422632      5.783030
  H      -6.538893      0.524409      7.278151
  H      -8.389980      1.795109      5.859436
  H     -11.197487      3.378963      4.668973
  N      -3.277488      2.202175      3.722797
  H      -2.768642      1.621425      3.062530
  H      -3.929413      2.826335      3.248243
95
Coordinates from ORCA-job orca E -6661.015018276084
  N      -2.192773      0.290522      5.131422
  Mo     -3.249812      1.957733      5.689949
  N      -4.557988      1.115182      6.904633
  C      -4.132896      0.518790      8.174537
  C      -2.648574      0.216540      8.120251
  N      -1.945187      1.351344      7.458120
  C      -0.647693      0.938094      6.871584
  C      -0.926036     -0.056721      5.756783
  C      -1.773138      2.510374      8.374601
  C      -1.621928      3.747493      7.512875
  N      -2.656221      3.668397      6.481551
  H      -0.089596     -0.046767      5.032926
  H      -0.968018     -1.086094      6.160222
  H      -0.163511      1.840377      6.476404
  H       0.006601      0.507487      7.647993
  H      -1.755190      4.649775      8.129612
  H      -0.617717      3.816780      7.061669
  H      -2.690437      2.598680      8.970881
  H      -0.918709      2.342085      9.051319
  H      -4.692114     -0.414043      8.368826
  H      -4.366320      1.211853      9.000683
  H      -2.472519     -0.682289      7.520562
  H      -2.230194      0.045553      9.125513
  C      -1.991027     -0.146844     -2.797324
  C      -3.189823      0.322191     -2.018855
  O      -4.103901      0.924832     -2.569729
  C      -3.303993      0.027888     -0.538358
  C      -4.589243      0.090137     -0.001936
  C      -4.845995     -0.166007      1.348595
  O      -6.110237     -0.091472      1.795915
  C      -3.756089     -0.470390      2.216000
  C      -4.014607     -0.657877      3.640210
  O      -5.179511     -0.659394      4.093304
  C      -2.864575     -0.902572      4.614019
  C      -2.454375     -0.521507      1.670438
  C      -2.216946     -0.289989      0.321533
  O      -0.951724     -0.334143     -0.197048
  C      -9.196335      9.430965      4.829499
  C      -9.024986      8.091723      4.178248
  O      -9.867082      7.685456      3.353510
  C      -7.872057      7.234359      4.526019
  C      -6.859567      7.673150      5.392825
  C      -5.785117      6.858321      5.733875
  O      -4.791072      7.280798      6.564853
  C      -5.724575      5.532324      5.220576
  C      -4.693964      4.575558      5.592622
  O      -4.837178      3.361888      5.257263
  C      -3.459814      4.872304      6.362683
  C      -6.735818      5.091900      4.347547
  C      -7.793572      5.918310      3.976833
  O      -8.723289      5.446851      3.131637
  C     -12.206749      5.229171      5.187377
  C     -11.057683      5.713336      6.039326
  O     -11.030747      6.883089      6.410956
  C      -9.937142      4.786975      6.430511
  C      -9.032791      5.313463      7.360643
  C      -7.907978      4.614633      7.788176
  O      -7.076836      5.199858      8.673634
  C      -7.649201      3.321997      7.239258
  C      -6.390763      2.653317      7.567462
  O      -5.603672      3.153689      8.400138
  C      -5.984543      1.368079      6.840107
  C      -8.566212      2.783254      6.321972
  C      -9.703237      3.479382      5.916663
  O     -10.484933      2.822508      5.015113
  H      -1.124522      0.488929     -2.561053
  H      -2.215827     -0.073699     -3.867095
  H      -1.705785     -1.172096     -2.524872
  H      -5.416351      0.347660     -0.664452
  H      -6.052236     -0.321563      2.778906
  H      -3.306110     -1.482279      5.450185
  H      -2.124309     -1.560373      4.125790
  H      -1.603887     -0.740110      2.320349
  H      -0.330748     -0.572334      0.515107
  H      -9.308390      9.303267      5.916983
  H      -8.321067     10.074325      4.656013
  H     -10.092794      9.913697      4.427766
  H      -6.912658      8.677039      5.818388
  H      -4.999596      8.177793      6.886294
  H      -2.908263      5.710463      5.892505
  H      -3.759141      5.255733      7.358192
  H      -6.697098      4.078139      3.951880
  H      -9.365442      6.224606      3.000226
  H     -11.862188      5.056449      4.151672
  H     -12.657357      4.304770      5.583129
  H     -12.974040      6.010118      5.149069
  H      -9.218546      6.315692      7.746749
  H      -6.340186      4.525725      8.816023
  H      -6.305280      1.422037      5.793105
  H      -6.545834      0.526935      7.291148
  H      -8.403831      1.799046      5.883083
  H     -11.217287      3.387425      4.711439
  N      -3.298401      2.188230      3.716817
  H      -2.793012      1.604784      3.056230
  H      -3.950772      2.812545      3.243098
95
Coordinates from ORCA-job orca E -6661.014678408800
  N      -2.249289      0.251055      5.127147
  Mo     -3.289680      1.928630      5.681118
  N      -4.577502      1.109870      6.933558
  C      -4.128731      0.526507      8.201742
  C      -2.646822      0.218187      8.121971
  N      -1.952794      1.342081      7.431478
  C      -0.667331      0.916772      6.828760
  C      -0.967433     -0.086151      5.726401
  C      -1.759570      2.512918      8.329160
  C      -1.620353      3.737780      7.447588
  N      -2.673515      3.648882      6.435923
  H      -0.146395     -0.076513      4.984872
  H      -0.996814     -1.113256      6.136124
  H      -0.183715      1.812858      6.418996
  H      -0.003280      0.489006      7.598400
  H      -1.739911      4.648651      8.054544
  H      -0.623986      3.798038      6.977890
  H      -2.664666      2.612463      8.942119
  H      -0.892796      2.351064      8.991578
  H      -4.686459     -0.402730      8.416792
  H      -4.344520      1.228975      9.024580
  H      -2.485266     -0.689237      7.530764
  H      -2.209518      0.059123      9.121124
  C      -1.847536     -0.082432     -2.762300
  C      -3.079302      0.352023     -2.015540
  O      -3.988127      0.942429     -2.588163
  C      -3.232231      0.040446     -0.541868
  C      -4.534283      0.071422     -0.044241
  C      -4.825627     -0.202993      1.295477
  O      -6.104329     -0.160505      1.704197
  C      -3.755233     -0.493920      2.191792
  C      -4.050539     -0.700106      3.606173
  O      -5.227887     -0.721011      4.025101
  C      -2.926340     -0.940508      4.612475
  C      -2.437771     -0.514988      1.686121
  C      -2.164866     -0.263165      0.347655
  O      -0.883530     -0.269494     -0.133870
  C      -9.201635      9.437578      4.841714
  C      -9.063932      8.083055      4.214375
  O      -9.937629      7.665906      3.429345
  C      -7.909314      7.220972      4.546628
  C      -6.865906      7.668929      5.370873
  C      -5.788554      6.851497      5.696695
  O      -4.766860      7.281951      6.489273
  C      -5.754493      5.514878      5.209469
  C      -4.722584      4.555882      5.572671
  O      -4.882420      3.337670      5.263591
  C      -3.470620      4.856525      6.311836
  C      -6.796792      5.064669      4.378782
  C      -7.860015      5.891948      4.025478
  O      -8.822836      5.409351      3.224616
  C     -12.204243      5.254889      5.230149
  C     -11.026224      5.755893      6.031713
  O     -10.963850      6.942567      6.340628
  C      -9.917034      4.825074      6.442847
  C      -8.992093      5.367407      7.343264
  C      -7.873967      4.663775      7.780241
  O      -7.022508      5.262265      8.637456
  C      -7.642628      3.350452      7.269254
  C      -6.388002      2.675710      7.598090
  O      -5.582618      3.189729      8.404447
  C      -6.004347      1.369440      6.895701
  C      -8.580650      2.796535      6.382847
  C      -9.712505      3.497174      5.971122
  O     -10.518296      2.825804      5.101895
  H      -1.005500      0.574872     -2.497087
  H      -2.042720     -0.005455     -3.837712
  H      -1.541783     -1.101180     -2.488338
  H      -5.346261      0.317643     -0.729506
  H      -6.073640     -0.404568      2.685726
  H      -3.399623     -1.498024      5.445490
  H      -2.184578     -1.618634      4.154155
  H      -1.604461     -0.721826      2.361060
  H      -0.275607     -0.504579      0.590859
  H      -9.262430      9.337627      5.936093
  H      -8.333725     10.073319      4.611284
  H     -10.114423      9.913875      4.470014
  H      -6.896208      8.682874      5.774642
  H      -4.959176      8.186750      6.799034
  H      -2.923294      5.681998      5.814821
  H      -3.746647      5.260208      7.306076
  H      -6.779997      4.042203      4.004663
  H      -9.461859      6.190565      3.096602
  H     -11.888146      5.040211      4.193094
  H     -12.653926      4.350585      5.670478
  H     -12.962468      6.044197      5.181864
  H      -9.155539      6.385057      7.698030
  H      -6.297946      4.578521      8.796034
  H      -6.350306      1.398023      5.855811
  H      -6.559173      0.543371      7.381599
  H      -8.438904      1.796882      5.972616
  H     -11.248550      3.392392      4.795627
  N      -3.390440      2.122092      3.706413
  H      -2.904061      1.523274      3.045200
  H      -4.047987      2.743641      3.236396
95
Coordinates from ORCA-job orca E -6661.015016507174
  N      -2.209598      0.291638      5.121848
  Mo     -3.267643      1.955760      5.684809
  N      -4.569178      1.109721      6.904539
  C      -4.136304      0.509617      8.170217
  C      -2.651169      0.212116      8.108748
  N      -1.954249      1.351006      7.446325
  C      -0.657316      0.943767      6.854864
  C      -0.935660     -0.047578      5.736723
  C      -1.782767      2.508842      8.364639
  C      -1.637613      3.747821      7.504433
  N      -2.674278      3.667506      6.475419
  H      -0.103996     -0.027567      5.007414
  H      -0.967067     -1.079117      6.135418
  H      -0.176252      1.848901      6.462378
  H       0.000236      0.511715      7.627699
  H      -1.772402      4.648531      8.123184
  H      -0.634654      3.821378      7.051090
  H      -2.698312      2.593416      8.964133
  H      -0.925711      2.341964      9.038361
  H      -4.691732     -0.425761      8.363307
  H      -4.368398      1.198731      9.000037
  H      -2.474669     -0.684855      7.506331
  H      -2.228067      0.040326      9.111895
  C      -1.919510     -0.175620     -2.801054
  C      -3.132523      0.286283     -2.040390
  O      -4.046338      0.874558     -2.607046
  C      -3.261610      0.001628     -0.559252
  C      -4.553954      0.054057     -0.038751
  C      -4.824014     -0.195354      1.310385
  O      -6.093768     -0.129007      1.742762
  C      -3.741342     -0.484002      2.192241
  C      -4.015565     -0.669415      3.613883
  O      -5.186475     -0.689545      4.050537
  C      -2.876761     -0.904001      4.603938
  C      -2.432832     -0.525212      1.663079
  C      -2.181645     -0.298457      0.315882
  O      -0.909815     -0.329756     -0.187818
  C      -9.210626      9.437173      4.832030
  C      -9.049341      8.091927      4.190526
  O      -9.896058      7.684275      3.371485
  C      -7.897041      7.232980      4.537016
  C      -6.877802      7.673973      5.394638
  C      -5.802993      6.858530      5.733290
  O      -4.803456      7.282992      6.556670
  C      -5.747775      5.530312      5.225359
  C      -4.716276      4.573232      5.594287
  O      -4.861759      3.359080      5.262545
  C      -3.478599      4.871104      6.358306
  C      -6.766188      5.087223      4.361898
  C      -7.825446      5.913485      3.995117
  O      -8.763065      5.439009      3.160170
  C     -12.203618      5.266616      5.232762
  C     -11.038897      5.748338      6.064774
  O     -10.996777      6.921042      6.425735
  C      -9.924266      4.814324      6.453867
  C      -9.011630      5.335991      7.378655
  C      -7.891033      4.628866      7.803475
  O      -7.051261      5.209656      8.683891
  C      -7.645286      3.332550      7.256739
  C      -6.391312      2.654000      7.581707
  O      -5.597663      3.148138      8.411804
  C      -5.995600      1.366792      6.851782
  C      -8.570189      2.799379      6.344181
  C      -9.703243      3.503806      5.942225
  O     -10.494329      2.852341      5.044895
  H      -1.064811      0.475535     -2.563078
  H      -2.133657     -0.116461     -3.873898
  H      -1.621977     -1.193276     -2.514075
  H      -5.375568      0.298387     -0.713017
  H      -6.044707     -0.350290      2.728453
  H      -3.331181     -1.475666      5.438440
  H      -2.131374     -1.567186      4.130920
  H      -1.588738     -0.731079      2.325189
  H      -0.293518     -0.558980      0.531347
  H      -9.310660      9.320087      5.921826
  H      -8.336019     10.077157      4.642894
  H     -10.110427      9.918157      4.435625
  H      -6.925424      8.680573      5.814522
  H      -5.008747      8.181850      6.875092
  H      -2.929413      5.708455      5.883844
  H      -3.773444      5.256370      7.354410
  H      -6.732150      4.071609      3.970592
  H      -9.403671      6.218016      3.028072
  H     -11.875246      5.089702      4.192433
  H     -12.651725      4.344997      5.637527
  H     -12.967580      6.051223      5.203428
  H      -9.186993      6.340884      7.762740
  H      -6.319557      4.529714      8.824763
  H      -6.325995      1.420856      5.807799
  H      -6.555559      0.527977      7.308879
  H      -8.417210      1.813294      5.906115
  H     -11.224135      3.422885      4.745427
  N      -3.332409      2.184907      3.712343
  H      -2.824438      1.607255      3.048719
  H      -3.989069      2.807487      3.242308
95
Coordinates from ORCA-job orca E -6661.014968467621
  N      -2.154729      0.283850      5.162933
  Mo     -3.219913      1.950035      5.712127
  N      -4.540082      1.113858      6.917776
  C      -4.129098      0.519759      8.192895
  C      -2.645032      0.213930      8.152148
  N      -1.933756      1.345784      7.493561
  C      -0.630603      0.929209      6.921021
  C      -0.900097     -0.069535      5.808834
  C      -1.769227      2.506711      8.408991
  C      -1.608855      3.741972      7.546439
  N      -2.634061      3.661980      6.506383
  H      -0.054536     -0.071950      5.095746
  H      -0.955749     -1.096137      6.218629
  H      -0.142464      1.829596      6.526343
  H       0.015576      0.501766      7.705893
  H      -1.746410      4.645776      8.159937
  H      -0.600823      3.808871      7.103513
  H      -2.692164      2.597818      8.996115
  H      -0.921796      2.338505      9.094459
  H      -4.692531     -0.410991      8.384619
  H      -4.368114      1.215763      9.015087
  H      -2.466524     -0.686000      7.555023
  H      -2.235485      0.043661      9.161118
  C      -2.159248     -0.038208     -2.798730
  C      -3.339112      0.406255     -1.978139
  O      -4.274648      1.008652     -2.491750
  C      -3.406711      0.087006     -0.499851
  C      -4.675731      0.129507      0.075591
  C      -4.890098     -0.149135      1.429197
  O      -6.140784     -0.092336      1.914929
  C      -3.772980     -0.458350      2.258751
  C      -3.987788     -0.663976      3.687581
  O      -5.137506     -0.656636      4.178424
  C      -2.809034     -0.910387      4.625830
  C      -2.487574     -0.489689      1.673709
  C      -2.292168     -0.235216      0.322179
  O      -1.042969     -0.261673     -0.234008
  C      -9.176885      9.403833      4.793786
  C      -8.992200      8.066781      4.141870
  O      -9.827708      7.655500      3.312522
  C      -7.838251      7.214895      4.497866
  C      -6.837716      7.655907      5.377470
  C      -5.764140      6.844381      5.729393
  O      -4.782106      7.267845      6.573968
  C      -5.692281      5.519898      5.213413
  C      -4.663761      4.565826      5.596837
  O      -4.800704      3.351894      5.258984
  C      -3.438964      4.864525      6.380824
  C      -6.690795      5.078257      4.326396
  C      -7.747397      5.901195      3.945466
  O      -8.663980      5.428346      3.086959
  C     -12.175978      5.199447      5.083607
  C     -11.046421      5.684739      5.960490
  O     -11.033016      6.852896      6.338108
  C      -9.928425      4.762609      6.368842
  C      -9.038510      5.294466      7.309691
  C      -7.916106      4.601643      7.752956
  O      -7.099972      5.192463      8.648460
  C      -7.643960      3.309462      7.209583
  C      -6.385814      2.647364      7.553784
  O      -5.610123      3.153582      8.393477
  C      -5.966184      1.362272      6.834213
  C      -8.547459      2.764525      6.282582
  C      -9.682476      3.454467      5.861525
  O     -10.449206      2.790804      4.951886
  H      -1.290361      0.598540     -2.574680
  H      -2.415315      0.053112     -3.860012
  H      -1.860561     -1.066769     -2.554396
  H      -5.524093      0.389889     -0.558290
  H      -6.051451     -0.337094      2.891514
  H      -3.216373     -1.522508      5.456521
  H      -2.063529     -1.536070      4.105032
  H      -1.616479     -0.713792      2.293821
  H      -0.398978     -0.504559      0.455556
  H      -9.298129      9.273866      5.880045
  H      -8.303361     10.051827      4.629098
  H     -10.072263      9.882567      4.385036
  H      -6.900606      8.658013      5.805663
  H      -4.998434      8.162532      6.896628
  H      -2.883908      5.704593      5.918392
  H      -3.749854      5.245133      7.373871
  H      -6.642235      4.066248      3.927364
  H      -9.305989      6.204256      2.946600
  H     -11.809363      5.020795      4.056703
  H     -12.636983      4.278000      5.474780
  H     -12.941489      5.980828      5.025381
  H      -9.234137      6.296484      7.691352
  H      -6.361690      4.522580      8.801848
  H      -6.273131      1.414399      5.782971
  H      -6.530601      0.519884      7.278859
  H      -8.374394      1.780744      5.846846
  H     -11.182368      3.349937      4.639832
  N      -3.244527      2.178191      3.737781
  H      -2.732239      1.594175      3.083062
  H      -3.893682      2.799940      3.256236
95
Coordinates from ORCA-job orca E -6661.015072716044
  N      -2.147897      0.291991      5.172942
  Mo     -3.219330      1.952913      5.726150
  N      -4.539343      1.116276      6.930710
  C      -4.128722      0.519270      8.204495
  C      -2.644759      0.213951      8.163718
  N      -1.933938      1.347708      7.507727
  C      -0.629164      0.934125      6.937579
  C      -0.894044     -0.060562      5.820834
  C      -1.771853      2.507474      8.425477
  C      -1.610863      3.743841      7.564414
  N      -2.635094      3.665088      6.523057
  H      -0.046547     -0.057692      5.109955
  H      -0.948275     -1.089436      6.225297
  H      -0.140426      1.836109      6.547340
  H       0.015413      0.504464      7.722555
  H      -1.749052      4.646917      8.178849
  H      -0.602259      3.811312      7.122906
  H      -2.695562      2.596980      9.011630
  H      -0.925219      2.339122      9.111918
  H      -4.691721     -0.412479      8.392858
  H      -4.369312      1.212533      9.028515
  H      -2.465458     -0.684944      7.565044
  H      -2.235364      0.042226      9.172529
  C      -2.190106     -0.047850     -2.823630
  C      -3.370795      0.384388     -1.997723
  O      -4.317754      0.970783     -2.509197
  C      -3.424709      0.073778     -0.517060
  C      -4.689915      0.107819      0.067348
  C      -4.891706     -0.164316      1.424010
  O      -6.139292     -0.112965      1.918612
  C      -3.765357     -0.458538      2.247501
  C      -3.968419     -0.660384      3.678532
  O      -5.116679     -0.683936      4.172589
  C      -2.783356     -0.901081      4.610617
  C      -2.484275     -0.481564      1.653279
  C      -2.301091     -0.232190      0.299062
  O      -1.055565     -0.247428     -0.266430
  C      -9.164280      9.416827      4.794175
  C      -8.981517      8.078842      4.143384
  O      -9.809759      7.673591      3.304166
  C      -7.833241      7.222307      4.507609
  C      -6.834780      7.661329      5.390469
  C      -5.764247      6.847820      5.746660
  O      -4.784431      7.269543      6.594847
  C      -5.692730      5.523392      5.230664
  C      -4.665594      4.568422      5.615491
  O      -4.801489      3.354731      5.276266
  C      -3.442337      4.866374      6.401857
  C      -6.690019      5.082592      4.341863
  C      -7.744302      5.907259      3.957818
  O      -8.661278      5.434351      3.099668
  C     -12.166371      5.191221      5.051681
  C     -11.040067      5.680771      5.930638
  O     -11.025898      6.851688      6.299594
  C      -9.925822      4.759277      6.350264
  C      -9.038596      5.295317      7.291536
  C      -7.919145      4.603308      7.743252
  O      -7.104965      5.197397      8.638581
  C      -7.646559      3.307848      7.207641
  C      -6.390614      2.646540      7.560140
  O      -5.619816      3.154382      8.403432
  C      -5.966102      1.360813      6.844667
  C      -8.547532      2.758737      6.280759
  C      -9.680753      3.447455      5.852492
  O     -10.446619      2.779082      4.945837
  H      -1.331235      0.606744     -2.611680
  H      -2.455120      0.031198     -3.883733
  H      -1.870053     -1.068327     -2.573129
  H      -5.545196      0.357101     -0.561743
  H      -6.039932     -0.346552      2.897677
  H      -3.180207     -1.535330      5.429648
  H      -2.027920     -1.506057      4.079079
  H      -1.606652     -0.691788      2.268941
  H      -0.403277     -0.481735      0.418487
  H      -9.285927      9.288917      5.880550
  H      -8.289509     10.063125      4.628725
  H     -10.058378      9.896749      4.383910
  H      -6.896372      8.664377      5.816792
  H      -5.001536      8.163599      6.918894
  H      -2.888947      5.709777      5.943442
  H      -3.755325      5.242375      7.396097
  H      -6.643345      4.069895      3.944367
  H      -9.303459      6.210284      2.959701
  H     -11.793526      5.002712      4.028801
  H     -12.632407      4.274342      5.447696
  H     -12.929202      5.974356      4.982538
  H      -9.233610      6.299938      7.666676
  H      -6.368579      4.526621      8.797460
  H      -6.271988      1.408339      5.793033
  H      -6.528677      0.518027      7.291025
  H      -8.375290      1.771623      5.852218
  H     -11.185293      3.332867      4.636960
  N      -3.251378      2.179956      3.751839
  H      -2.738409      1.597215      3.096716
  H      -3.902464      2.800339      3.271231
95
Coordinates from ORCA-job orca E -6661.015136192263
  N      -2.099815      0.303894      5.210497
  Mo     -3.197647      1.949575      5.760904
  N      -4.527514      1.110821      6.950943
  C      -4.129649      0.508349      8.225651
  C      -2.644810      0.207442      8.199345
  N      -1.931593      1.347349      7.556290
  C      -0.615875      0.944081      7.004882
  C      -0.857054     -0.046371      5.880354
  C      -1.788598      2.505862      8.479548
  C      -1.621338      3.744665      7.622736
  N      -2.632413      3.664551      6.568341
  H       0.002824     -0.038127      5.184430
  H      -0.915020     -1.078001      6.278464
  H      -0.126733      1.850384      6.625318
  H       0.019531      0.515266      7.797731
  H      -1.769886      4.646219      8.236952
  H      -0.607490      3.816013      7.194193
  H      -2.720635      2.589603      9.053218
  H      -0.950837      2.340141      9.177450
  H      -4.692253     -0.425977      8.402223
  H      -4.382221      1.196125      9.050846
  H      -2.456307     -0.688116      7.598098
  H      -2.245057      0.032763      9.211545
  C      -2.372402      0.025094     -2.862440
  C      -3.538956      0.407426     -1.993105
  O      -4.525811      0.957101     -2.469103
  C      -3.529491      0.090214     -0.512884
  C      -4.773153      0.082501      0.116963
  C      -4.917218     -0.201229      1.478275
  O      -6.147876     -0.191716      2.016522
  C      -3.752839     -0.462652      2.260239
  C      -3.899304     -0.672849      3.696886
  O      -5.029883     -0.735637      4.227880
  C      -2.680022     -0.889114      4.590327
  C      -2.494419     -0.444498      1.619732
  C      -2.368118     -0.183366      0.261167
  O      -1.144017     -0.154796     -0.349398
  C      -9.156229      9.391043      4.736149
  C      -8.960827      8.051040      4.092624
  O      -9.769295      7.644726      3.235319
  C      -7.819077      7.196582      4.482137
  C      -6.841594      7.636965      5.387448
  C      -5.775683      6.827146      5.764604
  O      -4.816900      7.249955      6.636227
  C      -5.686384      5.505235      5.245040
  C      -4.659952      4.555620      5.643818
  O      -4.781289      3.342258      5.297107
  C      -3.451099      4.858315      6.449911
  C      -6.663874      5.061623      4.335803
  C      -7.713534      5.882911      3.931981
  O      -8.609348      5.409098      3.052126
  C     -12.089817      5.229159      4.942814
  C     -10.990382      5.699198      5.865815
  O     -10.987880      6.861862      6.260088
  C      -9.892016      4.766808      6.303035
  C      -9.026687      5.286566      7.273784
  C      -7.920894      4.584871      7.743356
  O      -7.126881      5.162789      8.667207
  C      -7.638384      3.296263      7.195773
  C      -6.393036      2.627097      7.569128
  O      -5.641493      3.121531      8.437514
  C      -5.954044      1.349709      6.848052
  C      -8.518531      2.762513      6.240544
  C      -9.639970      3.460199      5.795270
  O     -10.387180      2.804906      4.864267
  H      -1.535525      0.716494     -2.680049
  H      -2.678254      0.095700     -3.912122
  H      -1.998314     -0.980246     -2.626844
  H      -5.657922      0.307244     -0.479833
  H      -6.005764     -0.428203      2.990581
  H      -3.023656     -1.585731      5.382465
  H      -1.902179     -1.425565      4.018092
  H      -1.588854     -0.625756      2.203139
  H      -0.458864     -0.372909      0.308448
  H      -9.284860      9.269093      5.822261
  H      -8.283721     10.041332      4.573447
  H     -10.049355      9.864167      4.315871
  H      -6.916442      8.638895      5.814373
  H      -5.047930      8.139475      6.963318
  H      -2.901366      5.713210      6.008717
  H      -3.782136      5.219654      7.443918
  H      -6.605047      4.050329      3.936348
  H      -9.249180      6.184127      2.897187
  H     -11.681741      5.043773      3.933030
  H     -12.579967      4.314598      5.315040
  H     -12.841837      6.020709      4.853911
  H      -9.227390      6.286608      7.658101
  H      -6.396830      4.486537      8.832696
  H      -6.246507      1.403028      5.793024
  H      -6.518491      0.501002      7.280700
  H      -8.340508      1.779756      5.804243
  H     -11.131717      3.354850      4.562323
  N      -3.217970      2.175444      3.785988
  H      -2.687125      1.603539      3.136032
  H      -3.874254      2.785480      3.299313
95
Coordinates from ORCA-job orca E -6661.015270797047
  N      -2.061008      0.318729      5.242309
  Mo     -3.179829      1.951852      5.792486
  N      -4.521892      1.114834      6.968898
  C      -4.138044      0.503698      8.243183
  C      -2.653401      0.201521      8.229001
  N      -1.934713      1.345692      7.599501
  C      -0.609673      0.948870      7.065882
  C      -0.831540     -0.035438      5.933830
  C      -1.806595      2.501168      8.529309
  C      -1.629723      3.743172      7.678922
  N      -2.627907      3.666233      6.611928
  H       0.040087     -0.026359      5.252501
  H      -0.898082     -1.069483      6.325839
  H      -0.117894      1.858402      6.697593
  H       0.015227      0.518318      7.866053
  H      -1.786301      4.642567      8.294278
  H      -0.610821      3.816483      7.262981
  H      -2.746333      2.581754      9.090723
  H      -0.978286      2.334001      9.238053
  H      -4.703298     -0.431276      8.407369
  H      -4.398836      1.185877      9.070593
  H      -2.460221     -0.690070      7.622981
  H      -2.262672      0.020545      9.243607
  C      -2.517231      0.039953     -2.908702
  C      -3.661055      0.407778     -2.003643
  O      -4.670513      0.941172     -2.449998
  C      -3.601497      0.093704     -0.523679
  C      -4.824892      0.070253      0.144255
  C      -4.923102     -0.213293      1.509583
  O      -6.137230     -0.219423      2.084210
  C      -3.731521     -0.458027      2.255690
  C      -3.831237     -0.669324      3.696181
  O      -4.945197     -0.748225      4.259873
  C      -2.585551     -0.865597      4.557885
  C      -2.494098     -0.423954      1.576644
  C      -2.413138     -0.162454      0.214772
  O      -1.209381     -0.116016     -0.434111
  C      -9.137729      9.385928      4.711925
  C      -8.934337      8.045569      4.071276
  O      -9.731386      7.639234      3.203471
  C      -7.797490      7.191473      4.475233
  C      -6.833741      7.630610      5.395772
  C      -5.772028      6.821490      5.785701
  O      -4.827381      7.242577      6.673559
  C      -5.671998      5.501935      5.261922
  C      -4.648562      4.553789      5.670657
  O      -4.760215      3.341549      5.315754
  C      -3.452356      4.856248      6.495100
  C      -6.636015      5.059229      4.337818
  C      -7.681886      5.879710      3.922702
  O      -8.564588      5.407246      3.028891
  C     -12.060917      5.223891      4.866829
  C     -10.976843      5.692963      5.808700
  O     -10.980734      6.855341      6.203844
  C      -9.885492      4.760079      6.262329
  C      -9.031060      5.281131      7.242246
  C      -7.930508      4.580448      7.725184
  O      -7.146994      5.159380      8.657481
  C      -7.640497      3.291751      7.181143
  C      -6.399439      2.623192      7.569480
  O      -5.660482      3.115491      8.449738
  C      -5.947724      1.349967      6.849249
  C      -8.510004      2.756544      6.217118
  C      -9.628053      3.452342      5.760288
  O     -10.365448      2.794720      4.823217
  H      -1.684760      0.743206     -2.753119
  H      -2.856628      0.105725     -3.948374
  H      -2.121620     -0.959545     -2.684084
  H      -5.730446      0.281651     -0.425659
  H      -5.963418     -0.450811      3.054742
  H      -2.880214     -1.619762      5.316184
  H      -1.786802     -1.331069      3.952391
  H      -1.569248     -0.592173      2.132568
  H      -0.498934     -0.324030      0.199826
  H      -9.271391      9.266903      5.797676
  H      -8.266242     10.038466      4.552084
  H     -10.029823      9.855599      4.285568
  H      -6.916469      8.631151      5.824488
  H      -5.067139      8.128653      7.003811
  H      -2.902493      5.718964      6.069682
  H      -3.798537      5.205119      7.488479
  H      -6.569615      4.049693      3.935168
  H      -9.201926      6.182473      2.865364
  H     -11.633279      5.021199      3.868742
  H     -12.568111      4.319046      5.240707
  H     -12.803402      6.021295      4.753669
  H      -9.236114      6.281687      7.622964
  H      -6.417106      4.484327      8.828868
  H      -6.228296      1.405849      5.791189
  H      -6.514434      0.497975      7.272425
  H      -8.327195      1.773293      5.783835
  H     -11.116989      3.337310      4.524986
  N      -3.184586      2.180502      3.817366
  H      -2.638019      1.619840      3.171037
  H      -3.845345      2.781604      3.325684
95
Coordinates from ORCA-job orca E -6661.015261956951
  N      -2.075983      0.311783      5.251018
  Mo     -3.199993      1.943483      5.796382
  N      -4.549772      1.121553      6.979489
  C      -4.169365      0.500312      8.249430
  C      -2.685035      0.192060      8.232198
  N      -1.964582      1.336764      7.605294
  C      -0.634583      0.941241      7.080617
  C      -0.849985     -0.040746      5.947943
  C      -1.841830      2.492686      8.535222
  C      -1.657580      3.734350      7.686529
  N      -2.647404      3.657768      6.612072
  H       0.023540     -0.033695      5.268289
  H      -0.918748     -1.074891      6.341161
  H      -0.141920      1.852509      6.717719
  H      -0.016019      0.510575      7.885500
  H      -1.820595      4.633316      8.300906
  H      -0.635859      3.809297      7.277713
  H      -2.785787      2.576395      9.089014
  H      -1.019805      2.323489      9.250594
  H      -4.738429     -0.433107      8.408386
  H      -4.425705      1.178752      9.081449
  H      -2.497581     -0.696035      7.619041
  H      -2.293537      0.004959      9.245224
  C      -2.420092     -0.092999     -2.974467
  C      -3.530259      0.385190     -2.078508
  O      -4.492965      0.990730     -2.535012
  C      -3.497385      0.089656     -0.592950
  C      -4.724154      0.146636      0.066630
  C      -4.847149     -0.113806      1.435305
  O      -6.062967     -0.042377      1.999788
  C      -3.676810     -0.421229      2.189213
  C      -3.794824     -0.627793      3.629752
  O      -4.911971     -0.634168      4.192135
  C      -2.563994     -0.853074      4.507639
  C      -2.435068     -0.465364      1.519537
  C      -2.330346     -0.225588      0.155982
  O      -1.123804     -0.256453     -0.487727
  C      -9.144646      9.393352      4.718265
  C      -8.959706      8.040926      4.098224
  O      -9.781430      7.621523      3.259247
  C      -7.815960      7.190063      4.485448
  C      -6.828669      7.639139      5.375984
  C      -5.762273      6.829957      5.753813
  O      -4.796598      7.260089      6.613779
  C      -5.679694      5.502054      5.247221
  C      -4.658825      4.551694      5.656120
  O      -4.777010      3.337830      5.308374
  C      -3.461849      4.853744      6.480212
  C      -6.665086      5.052418      4.348596
  C      -7.718489      5.870316      3.949109
  O      -8.628454      5.387532      3.088577
  C     -12.140297      5.212982      4.998627
  C     -11.019304      5.704434      5.884452
  O     -10.993901      6.881710      6.232461
  C      -9.919955      4.777131      6.329864
  C      -9.036450      5.316371      7.273040
  C      -7.926377      4.620891      7.741820
  O      -7.118043      5.217463      8.641193
  C      -7.654955      3.320231      7.216908
  C      -6.407196      2.652228      7.587154
  O      -5.643766      3.154738      8.439519
  C      -5.973910      1.371104      6.868566
  C      -8.551578      2.768902      6.287157
  C      -9.679867      3.458436      5.848578
  O     -10.443643      2.787837      4.940911
  H      -1.524741      0.527296     -2.820233
  H      -2.749152     -0.007349     -4.016073
  H      -2.126300     -1.124475     -2.737206
  H      -5.611950      0.400414     -0.513642
  H      -5.916498     -0.264773      2.975184
  H      -2.876413     -1.628708      5.234810
  H      -1.741752     -1.292879      3.914482
  H      -1.529515     -0.694711      2.083299
  H      -0.424483     -0.495043      0.147375
  H      -9.264611      9.296390      5.807881
  H      -8.270338     10.035916      4.535184
  H     -10.039598      9.861881      4.296762
  H      -6.895939      8.646434      5.791133
  H      -5.023235      8.154598      6.930008
  H      -2.902804      5.705960      6.046089
  H      -3.806164      5.214094      7.469649
  H      -6.610387      4.037834      3.957177
  H      -9.266588      6.163313      2.930796
  H     -11.753868      4.965659      3.993970
  H     -12.638117      4.328273      5.429129
  H     -12.879520      6.012756      4.881546
  H      -9.227736      6.326231      7.636043
  H      -6.383070      4.546630      8.806595
  H      -6.266580      1.430261      5.813465
  H      -6.545248      0.526676      7.300504
  H      -8.379279      1.779523      5.863839
  H     -11.188317      3.340169      4.642861
  N      -3.196020      2.164592      3.820197
  H      -2.641732      1.614003      3.171579
  H      -3.863660      2.757370      3.327550
95
Coordinates from ORCA-job orca E -6661.015675436021
  N      -2.002362      0.337109      5.291949
  Mo     -3.150622      1.954211      5.832958
  N      -4.521390      1.122518      6.982747
  C      -4.166702      0.489235      8.253769
  C      -2.682246      0.182863      8.262687
  N      -1.951934      1.334853      7.661573
  C      -0.609009      0.948567      7.162499
  C      -0.795961     -0.024000      6.017628
  C      -1.853254      2.483008      8.604217
  C      -1.653338      3.732240      7.770367
  N      -2.620547      3.663369      6.674935
  H       0.094028     -0.014610      5.360027
  H      -0.876925     -1.061620      6.400451
  H      -0.112613      1.864438      6.816932
  H      -0.006239      0.513935      7.977161
  H      -1.829828      4.625954      8.388561
  H      -0.623516      3.811303      7.383458
  H      -2.809603      2.559828      9.137396
  H      -1.046979      2.309352      9.336343
  H      -4.737660     -0.446478      8.390967
  H      -4.441504      1.158252      9.087575
  H      -2.481643     -0.698250      7.643752
  H      -2.309727     -0.014032      9.281007
  C      -2.716681      0.011691     -2.976347
  C      -3.805651      0.415578     -2.020097
  O      -4.822626      0.970502     -2.419892
  C      -3.678432      0.113022     -0.541282
  C      -4.869319      0.103368      0.183103
  C      -4.905851     -0.171618      1.553754
  O      -6.091969     -0.166367      2.182770
  C      -3.683159     -0.421595      2.243584
  C      -3.718372     -0.632021      3.687844
  O      -4.805794     -0.699115      4.302915
  C      -2.439961     -0.817544      4.503885
  C      -2.478242     -0.398485      1.507566
  C      -2.458853     -0.146962      0.142116
  O      -1.288323     -0.114569     -0.564311
  C      -9.108007      9.377353      4.685313
  C      -8.892962      8.037785      4.047481
  O      -9.682397      7.629330      3.172659
  C      -7.758008      7.186991      4.460108
  C      -6.802501      7.629686      5.387860
  C      -5.742936      6.822468      5.788018
  O      -4.808227      7.246037      6.684835
  C      -5.634693      5.502694      5.265213
  C      -4.617617      4.555177      5.688904
  O      -4.718804      3.344469      5.323729
  C      -3.442030      4.854727      6.543882
  C      -6.588994      5.058637      4.331214
  C      -7.635461      5.874680      3.910303
  O      -8.515801      5.395405      3.017831
  C     -12.067752      5.187423      4.807389
  C     -10.992240      5.666521      5.754305
  O     -10.998282      6.833383      6.136389
  C      -9.901484      4.740023      6.222829
  C      -9.051719      5.273600      7.199798
  C      -7.950393      4.581394      7.693126
  O      -7.174820      5.171732      8.624824
  C      -7.651779      3.290295      7.159993
  C      -6.407414      2.630968      7.555674
  O      -5.672563      3.132116      8.433829
  C      -5.944041      1.360359      6.837685
  C      -8.516952      2.742219      6.199182
  C      -9.637605      3.427964      5.735088
  O     -10.370052      2.758952      4.801232
  H      -1.851691      0.681311     -2.858920
  H      -3.102247      0.088438     -3.999017
  H      -2.352140     -1.003301     -2.767628
  H      -5.798607      0.315654     -0.346705
  H      -5.880268     -0.390521      3.145833
  H      -2.671953     -1.647290      5.202181
  H      -1.612059     -1.173125      3.864906
  H      -1.532015     -0.581763      2.019291
  H      -0.546273     -0.320505      0.032541
  H      -9.260941      9.259994      5.768719
  H      -8.233294     10.029140      4.540591
  H      -9.992763      9.847116      4.244149
  H      -6.890253      8.630488      5.814649
  H      -5.052602      8.132746      7.009749
  H      -2.881051      5.718679      6.136479
  H      -3.811697      5.196095      7.531073
  H      -6.515769      4.049509      3.928831
  H      -9.158941      6.165802      2.854425
  H     -11.633988      4.958057      3.818081
  H     -12.582717      4.294584      5.199831
  H     -12.804361      5.986365      4.670427
  H      -9.262359      6.277110      7.569551
  H      -6.442006      4.502656      8.806026
  H      -6.208720      1.425606      5.775757
  H      -6.518382      0.506644      7.246826
  H      -8.325523      1.758284      5.771321
  H     -11.119447      3.301111      4.496710
  N      -3.106421      2.191474      3.858488
  H      -2.535643      1.650066      3.216603
  H      -3.767412      2.784862      3.357648
95
Coordinates from ORCA-job orca E -6661.016126706283
  N      -1.936231      0.359509      5.333623
  Mo     -3.112706      1.958275      5.865950
  N      -4.502928      1.114987      6.981793
  C      -4.172519      0.466361      8.251479
  C      -2.687427      0.167350      8.287766
  N      -1.951180      1.329505      7.714693
  C      -0.594141      0.956830      7.244501
  C      -0.746053     -0.004028      6.084591
  C      -1.882699      2.470242      8.669345
  C      -1.669200      3.727870      7.851343
  N      -2.609229      3.663774      6.732079
  H       0.159862      0.018582      5.449686
  H      -0.829949     -1.047182      6.451622
  H      -0.095880      1.879240      6.920170
  H      -0.008431      0.517606      8.069052
  H      -1.865123      4.615190      8.472791
  H      -0.630596      3.815451      7.490701
  H      -2.852442      2.536961      9.179150
  H      -1.093682      2.294613      9.419673
  H      -4.741149     -0.474294      8.362238
  H      -4.469943      1.121132      9.088963
  H      -2.469639     -0.704888      7.662419
  H      -2.334277     -0.039354      9.311051
  C      -2.972001      0.082085     -2.981059
  C      -4.028381      0.439093     -1.971343
  O      -5.085842      0.952321     -2.318681
  C      -3.818350      0.134936     -0.502839
  C      -4.970952      0.081573      0.279090
  C      -4.930524     -0.199048      1.648210
  O      -6.083321     -0.236850      2.335821
  C      -3.667725     -0.405873      2.278721
  C      -3.632914     -0.617052      3.723019
  O      -4.690724     -0.740533      4.380035
  C      -2.319975     -0.771225      4.487281
  C      -2.501845     -0.339056      1.483140
  C      -2.558644     -0.085367      0.118866
  O      -1.425631     -0.013918     -0.643223
  C      -9.082676      9.353672      4.634382
  C      -8.848600      8.018283      3.994569
  O      -9.623492      7.605959      3.108556
  C      -7.717671      7.171672      4.426791
  C      -6.789473      7.611910      5.383009
  C      -5.736425      6.807330      5.804534
  O      -4.828398      7.228207      6.729712
  C      -5.606990      5.492466      5.274433
  C      -4.592104      4.549623      5.713135
  O      -4.675612      3.341328      5.334873
  C      -3.437587      4.849906      6.596060
  C      -6.534261      5.050353      4.312897
  C      -7.572537      5.864857      3.869128
  O      -8.419925      5.391414      2.942412
  C     -12.002705      5.192000      4.682011
  C     -10.960007      5.654293      5.672810
  O     -10.990955      6.808905      6.088913
  C      -9.877413      4.723501      6.152230
  C      -9.052980      5.244170      7.157649
  C      -7.959946      4.548644      7.664519
  O      -7.205863      5.126806      8.621127
  C      -7.644560      3.267317      7.118659
  C      -6.405664      2.608968      7.530984
  O      -5.697331      3.097243      8.438068
  C      -5.922673      1.347867      6.809140
  C      -8.486007      2.730229      6.131097
  C      -9.598197      3.419424      5.651310
  O     -10.309274      2.759599      4.695153
  H      -2.130160      0.785930     -2.901751
  H      -3.408963      0.145791     -3.983667
  H      -2.556643     -0.917854     -2.795094
  H      -5.932188      0.264699     -0.202378
  H      -5.811529     -0.460097      3.284232
  H      -2.482765     -1.653340      5.141083
  H      -1.488142     -1.039452      3.813390
  H      -1.523743     -0.488025      1.944784
  H      -0.651000     -0.195745     -0.080946
  H      -9.246650      9.230781      5.715490
  H      -8.212025     10.013435      4.501467
  H      -9.966096      9.817555      4.184430
  H      -6.895324      8.608052      5.816613
  H      -5.086690      8.110283      7.056441
  H      -2.875570      5.723344      6.211040
  H      -3.832132      5.176755      7.578651
  H      -6.444296      4.045221      3.903922
  H      -9.055905      6.163302      2.759321
  H     -11.537859      4.989957      3.700878
  H     -12.523663      4.286817      5.036716
  H     -12.740669      5.989287      4.542871
  H      -9.275621      6.241018      7.538134
  H      -6.475109      4.457085      8.807165
  H      -6.163613      1.423304      5.742340
  H      -6.502063      0.487267      7.196170
  H      -8.283666      1.751656      5.695963
  H     -11.060160      3.298184      4.388191
  N      -3.032011      2.207000      3.893446
  H      -2.444803      1.675072      3.258627
  H      -3.689107      2.797560      3.384274
95
Coordinates from ORCA-job orca E -6661.016639562303
  N      -1.851001      0.383087      5.386020
  Mo     -3.063277      1.956559      5.902269
  N      -4.474500      1.089647      6.970890
  C      -4.171627      0.419719      8.236683
  C      -2.684724      0.139121      8.310032
  N      -1.947143      1.318286      7.775650
  C      -0.572188      0.970307      7.341769
  C      -0.672977      0.027359      6.160023
  C      -1.922991      2.448135      8.745419
  C      -1.697002      3.718159      7.949892
  N      -2.598759      3.657253      6.799335
  H       0.249894      0.081809      5.552331
  H      -0.745605     -1.024583      6.501921
  H      -0.076944      1.904118      7.047702
  H      -0.006055      0.525082      8.176670
  H      -1.923881      4.595090      8.575456
  H      -0.647791      3.822417      7.626139
  H      -2.909519      2.496921      9.223982
  H      -1.156229      2.272286      9.518543
  H      -4.729754     -0.530976      8.309431
  H      -4.504074      1.050693      9.079411
  H      -2.438407     -0.719212      7.676667
  H      -2.356935     -0.079841      9.339235
  C      -3.319224      0.226158     -2.935104
  C      -4.327516      0.515291     -1.857050
  O      -5.428261      0.980876     -2.129621
  C      -4.013335      0.196240     -0.411462
  C      -5.110686      0.081328      0.439902
  C      -4.971925     -0.218057      1.798147
  O      -6.076415     -0.321037      2.555902
  C      -3.663782     -0.374411      2.349190
  C      -3.539609     -0.599750      3.786768
  O      -4.553062     -0.788399      4.496450
  C      -2.187444     -0.716114      4.483167
  C      -2.554567     -0.247398      1.480906
  C      -2.709037      0.019600      0.126277
  O      -1.629032      0.145637     -0.702560
  C      -9.031689      9.328507      4.538743
  C      -8.777325      7.995342      3.902103
  O      -9.518961      7.587799      2.985883
  C      -7.659778      7.148639      4.368358
  C      -6.765203      7.585732      5.357428
  C      -5.723785      6.782104      5.807698
  O      -4.845901      7.201230      6.762360
  C      -5.572974      5.470723      5.275191
  C      -4.561948      4.533592      5.734866
  O      -4.623268      3.327767      5.344026
  C      -3.434205      4.836831      6.650754
  C      -6.468376      5.030207      4.283522
  C      -7.492896      5.845049      3.808850
  O      -8.303981      5.377013      2.847616
  C     -11.916646      5.176333      4.525242
  C     -10.906576      5.624515      5.554921
  O     -10.958668      6.769367      5.994432
  C      -9.833878      4.689763      6.049253
  C      -9.039522      5.197546      7.085128
  C      -7.958702      4.497332      7.611682
  O      -7.230519      5.062908      8.595326
  C      -7.626384      3.224327      7.057597
  C      -6.396685      2.564963      7.492751
  O      -5.716493      3.041535      8.427776
  C      -5.890541      1.315044      6.767009
  C      -8.438745      2.698960      6.039915
  C      -9.538019      3.393376      5.537580
  O     -10.223036      2.744039      4.556219
  H      -2.510841      0.971284     -2.894206
  H      -3.818656      0.280369     -3.908519
  H      -2.842714     -0.753545     -2.791477
  H      -6.107952      0.231077      0.024820
  H      -5.728109     -0.561319      3.475938
  H      -2.273055     -1.647231      5.083652
  H      -1.365042     -0.891517      3.770468
  H      -1.540476     -0.356203      1.873906
  H      -0.818152     -0.009860     -0.185242
  H      -9.229722      9.199798      5.613400
  H      -8.157480      9.988977      4.435971
  H      -9.900097      9.794377      4.062436
  H      -6.888189      8.579147      5.792984
  H      -5.115340      8.081938      7.083537
  H      -2.870651      5.719473      6.289732
  H      -3.859799      5.150711      7.624681
  H      -6.362440      4.027303      3.872807
  H      -8.934589      6.148825      2.646880
  H     -11.422748      5.005267      3.552264
  H     -12.438679      4.257448      4.840686
  H     -12.658534      5.969920      4.385524
  H      -9.274837      6.188221      7.473869
  H      -6.505391      4.390595      8.792467
  H      -6.104245      1.402280      5.695382
  H      -6.474367      0.446432      7.128501
  H      -8.225328      1.724378      5.601100
  H     -10.967853      3.283004      4.235773
  N      -2.937035      2.221165      3.933575
  H      -2.327167      1.704315      3.307876
  H      -3.590306      2.807039      3.414280
95
Coordinates from ORCA-job orca E -6661.017270142786
  N      -1.795373      0.411266      5.416799
  Mo     -3.033283      1.965092      5.924559
  N      -4.461509      1.084476      6.958371
  C      -4.180276      0.392705      8.217132
  C      -2.693349      0.121634      8.316960
  N      -1.953302      1.312698      7.813510
  C      -0.566217      0.980367      7.408147
  C      -0.629942      0.056100      6.209129
  C      -1.959527      2.432008      8.795774
  C      -1.720892      3.711869      8.019841
  N      -2.593609      3.658971      6.846744
  H       0.305594      0.132825      5.623467
  H      -0.697479     -1.002850      6.529498
  H      -0.070748      1.921890      7.140475
  H      -0.017253      0.526283      8.249653
  H      -1.968672      4.580102      8.649621
  H      -0.664490      3.826311      7.724082
  H      -2.957644      2.470082      9.250541
  H      -1.210748      2.251752      9.585369
  H      -4.731730     -0.563852      8.257977
  H      -4.536988      1.003281      9.065112
  H      -2.428703     -0.725288      7.675797
  H      -2.384380     -0.109877      9.349231
  C      -3.537942      0.250621     -2.919145
  C      -4.511690      0.500384     -1.800205
  O      -5.637470      0.929915     -2.025830
  C      -4.127036      0.191651     -0.369790
  C      -5.183453      0.041597      0.526598
  C      -4.979190     -0.253064      1.877484
  O      -6.048983     -0.389304      2.679469
  C      -3.643969     -0.366302      2.374992
  C      -3.454256     -0.590247      3.805521
  O      -4.430221     -0.827500      4.552870
  C      -2.075633     -0.651780      4.454975
  C      -2.577569     -0.202598      1.460400
  C      -2.796761      0.057372      0.113391
  O      -1.755420      0.216032     -0.758407
  C      -9.005267      9.326597      4.527468
  C      -8.734459      8.002134      3.879401
  O      -9.463862      7.598619      2.951624
  C      -7.621348      7.154830      4.355101
  C      -6.746649      7.583994      5.365189
  C      -5.711002      6.778951      5.825409
  O      -4.854110      7.189887      6.802332
  C      -5.545339      5.473943      5.281763
  C      -4.538777      4.536832      5.750787
  O      -4.586743      3.334087      5.347814
  C      -3.431364      4.836106      6.692253
  C      -6.421186      5.040927      4.269522
  C      -7.439350      5.857790      3.784524
  O      -8.230096      5.398144      2.802486
  C     -11.867305      5.168057      4.419037
  C     -10.881815      5.607451      5.475678
  O     -10.946725      6.747422      5.925952
  C      -9.816362      4.670798      5.982015
  C      -9.045074      5.170006      7.039324
  C      -7.972610      4.467774      7.580268
  O      -7.267941      5.023995      8.586173
  C      -7.623849      3.202635      7.018143
  C      -6.398313      2.544245      7.465906
  O      -5.735077      3.012157      8.417459
  C      -5.874511      1.305882      6.732877
  C      -8.414218      2.685073      5.979385
  C      -9.505949      3.380852      5.462705
  O     -10.169010      2.739944      4.461117
  H      -2.756259      1.024734     -2.907807
  H      -4.077463      0.288018     -3.871702
  H      -3.020560     -0.711266     -2.797958
  H      -6.201743      0.160018      0.154630
  H      -5.654316     -0.619146      3.584713
  H      -2.087080     -1.619234      5.001774
  H      -1.258199     -0.733731      3.720077
  H      -1.543783     -0.278677      1.807674
  H      -0.921090      0.087676     -0.271601
  H      -9.216145      9.184410      5.598009
  H      -8.134080      9.993590      4.443174
  H      -9.870345      9.792533      4.045142
  H      -6.881874      8.571559      5.810377
  H      -5.131626      8.067210      7.125713
  H      -2.864800      5.724963      6.351924
  H      -3.878973      5.137923      7.660060
  H      -6.304742      4.042546      3.850704
  H      -8.857812      6.171137      2.596761
  H     -11.351640      5.010563      3.455026
  H     -12.393669      4.243970      4.711221
  H     -12.608445      5.961105      4.272231
  H      -9.292084      6.155296      7.434403
  H      -6.548413      4.349123      8.795079
  H      -6.070766      1.405738      5.658974
  H      -6.460288      0.430302      7.073619
  H      -8.188317      1.716030      5.534494
  H     -10.909237      3.279593      4.131411
  N      -2.873472      2.242997      3.959314
  H      -2.250040      1.736569      3.338449
  H      -3.524207      2.826305      3.433969
95
Coordinates from ORCA-job orca E -6661.017896505190
  N      -1.742856      0.442490      5.443547
  Mo     -3.005674      1.975735      5.942899
  N      -4.449772      1.079061      6.940015
  C      -4.189129      0.362645      8.189168
  C      -2.702450      0.102721      8.315960
  N      -1.961778      1.306819      7.845743
  C      -0.563262      0.991701      7.469039
  C      -0.588123      0.089564      6.251529
  C      -1.999568      2.413758      8.841190
  C      -1.749042      3.704523      8.087272
  N      -2.591228      3.661164      6.891739
  H       0.358634      0.193478      5.688314
  H      -0.646100     -0.976841      6.547383
  H      -0.068894      1.941504      7.230406
  H      -0.031344      0.526907      8.315562
  H      -2.019115      4.562625      8.721809
  H      -0.686072      3.830331      7.821035
  H      -3.008789      2.440073      9.271426
  H      -1.269305      2.228083      9.646742
  H      -4.731361     -0.600117      8.195141
  H      -4.571701      0.949470      9.042795
  H      -2.417979     -0.731185      7.666417
  H      -2.412486     -0.142770      9.350511
  C      -3.745875      0.259835     -2.895241
  C      -4.685315      0.469007     -1.739142
  O      -5.833172      0.859809     -1.919547
  C      -4.233439      0.175498     -0.325628
  C      -5.247455     -0.010169      0.612026
  C      -4.980466     -0.296071      1.953733
  O      -6.014696     -0.466102      2.796061
  C      -3.622230     -0.361427      2.399612
  C      -3.368590     -0.581435      3.820681
  O      -4.303192     -0.869131      4.603091
  C      -1.968550     -0.578661      4.425288
  C      -2.600538     -0.160358      1.442570
  C      -2.881579      0.088465      0.105050
  O      -1.879777      0.280372     -0.805852
  C      -8.979051      9.332054      4.527625
  C      -8.692504      8.017917      3.865268
  O      -9.410947      7.620423      2.926404
  C      -7.583809      7.168508      4.347553
  C      -6.727462      7.587470      5.377423
  C      -5.697597      6.779531      5.844666
  O      -4.860569      7.180038      6.842747
  C      -5.518684      5.481598      5.288446
  C      -4.517021      4.543106      5.764879
  O      -4.552629      3.343836      5.349538
  C      -3.429869      4.836743      6.731223
  C      -6.376549      5.058283      4.256852
  C      -7.388360      5.878716      3.764329
  O      -8.160936      5.429386      2.763176
  C     -11.820856      5.159536      4.318878
  C     -10.857484      5.590991      5.398552
  O     -10.931821      6.727620      5.855702
  C      -9.799205      4.652286      5.915965
  C      -9.050865      5.142357      6.993868
  C      -7.987156      4.437446      7.548720
  O      -7.306762      4.983360      8.576799
  C      -7.622154      3.180418      6.978378
  C      -6.400563      2.522433      7.437059
  O      -5.752133      2.981373      8.403191
  C      -5.859679      1.296886      6.694854
  C      -8.390545      2.671465      5.919080
  C      -9.474416      3.369143      5.388720
  O     -10.115015      2.738114      4.366626
  H      -2.995704      1.064491     -2.910991
  H      -4.321852      0.276469     -3.826781
  H      -3.186379     -0.680816     -2.796243
  H      -6.283503      0.073247      0.281882
  H      -5.576339     -0.682410      3.686191
  H      -1.903638     -1.573746      4.915796
  H      -1.162498     -0.566146      3.673412
  H      -1.550562     -0.200245      1.745138
  H      -1.025160      0.182696     -0.347636
  H      -9.202688      9.173690      5.593356
  H      -8.110915     10.005145      4.463530
  H      -9.840575      9.799730      4.040564
  H      -6.873670      8.568480      5.833581
  H      -5.144313      8.054396      7.168520
  H      -2.859787      5.730922      6.411467
  H      -3.898855      5.127139      7.692293
  H      -6.251102      4.064823      3.829023
  H      -8.786028      6.204141      2.555382
  H     -11.286272      5.015943      3.362904
  H     -12.349688      4.230211      4.588929
  H     -12.561811      5.951801      4.166637
  H      -9.309457      6.122032      7.395406
  H      -6.594537      4.304665      8.798512
  H      -6.040083      1.410868      5.619510
  H      -6.446503      0.414150      7.014408
  H      -8.151920      1.708449      5.467683
  H     -10.848059      3.280583      4.025786
  N      -2.812978      2.268858      3.981944
  H      -2.176866      1.773293      3.365098
  H      -3.461231      2.850344      3.451514
95
Coordinates from ORCA-job orca E -6661.017709901646
  N      -1.714382      0.401168      5.490992
  Mo     -2.976778      1.940364      5.944246
  N      -4.433401      1.048043      6.929711
  C      -4.186265      0.331396      8.181587
  C      -2.699360      0.087341      8.337507
  N      -1.958178      1.291960      7.869727
  C      -0.554626      0.978816      7.517918
  C      -0.551930      0.076873      6.297529
  C      -2.015594      2.408208      8.852391
  C      -1.753401      3.692323      8.090961
  N      -2.569072      3.634066      6.877971
  H       0.396432      0.213698      5.743239
  H      -0.583269     -0.991519      6.585439
  H      -0.057108      1.929629      7.289370
  H      -0.036395      0.514614      8.373150
  H      -2.043734      4.553233      8.713035
  H      -0.685273      3.824375      7.848847
  H      -3.032200      2.435813      9.264370
  H      -1.298848      2.232468      9.672146
  H      -4.715628     -0.638738      8.173037
  H      -4.592865      0.910316      9.029553
  H      -2.396838     -0.749048      7.699303
  H      -2.426565     -0.148368      9.378984
  C      -3.898966      0.470881     -2.783994
  C      -4.802548      0.678513     -1.598762
  O      -5.934512      1.128131     -1.736585
  C      -4.325761      0.328726     -0.206548
  C      -5.321541      0.154745      0.752925
  C      -5.032207     -0.177242      2.079516
  O      -6.055042     -0.330595      2.941123
  C      -3.664178     -0.305614      2.486182
  C      -3.371850     -0.586342      3.887424
  O      -4.287098     -0.863872      4.696435
  C      -1.955462     -0.597654      4.455827
  C      -2.663094     -0.114212      1.508765
  C      -2.968134      0.180092      0.186120
  O      -1.979177      0.358098     -0.743170
  C      -8.942584      9.297609      4.475635
  C      -8.651494      7.986207      3.809387
  O      -9.368917      7.589296      2.869540
  C      -7.540356      7.138320      4.288462
  C      -6.673508      7.563085      5.307001
  C      -5.639975      6.756603      5.768072
  O      -4.795522      7.163500      6.756727
  C      -5.468591      5.453463      5.221106
  C      -4.472355      4.514082      5.707974
  O      -4.515102      3.308458      5.312081
  C      -3.390600      4.815341      6.678232
  C      -6.337591      5.024372      4.200978
  C      -7.353279      5.843202      3.713413
  O      -8.146187      5.384295      2.732497
  C     -11.835444      5.040733      4.269620
  C     -10.845204      5.516868      5.304262
  O     -10.892145      6.679276      5.696094
  C      -9.781826      4.596351      5.842188
  C      -9.029143      5.118052      6.901634
  C      -7.965144      4.427651      7.474823
  O      -7.285527      5.002505      8.487691
  C      -7.602700      3.154479      6.938740
  C      -6.379995      2.504438      7.407221
  O      -5.718084      2.984830      8.353120
  C      -5.842207      1.268486      6.679613
  C      -8.372835      2.617683      5.894142
  C      -9.456969      3.300795      5.347109
  O     -10.095410      2.648361      4.336677
  H      -3.120298      1.248119     -2.795307
  H      -4.495556      0.533666     -3.700581
  H      -3.373241     -0.492202     -2.724834
  H      -6.362481      0.284917      0.454666
  H      -5.607896     -0.594251      3.817088
  H      -1.892133     -1.603486      4.919501
  H      -1.162613     -0.574658      3.687560
  H      -1.607229     -0.207135      1.777312
  H      -1.120846      0.219645     -0.301896
  H      -9.186730      9.130337      5.535839
  H      -8.071170      9.967715      4.433535
  H      -9.793887      9.772665      3.977700
  H      -6.812975      8.547152      5.758771
  H      -5.066072      8.048645      7.063632
  H      -2.804789      5.693289      6.342195
  H      -3.865804      5.136011      7.626068
  H      -6.221319      4.025206      3.783836
  H      -8.782147      6.154300      2.538651
  H     -11.326431      4.876785      3.302493
  H     -12.347403      4.114230      4.577061
  H     -12.586606      5.822559      4.111920
  H      -9.286730      6.108646      7.276169
  H      -6.580536      4.326256      8.738574
  H      -6.023595      1.372549      5.603086
  H      -6.433022      0.392348      7.009039
  H      -8.130515      1.645571      5.464729
  H     -10.800333      3.200926      3.955303
  N      -2.758418      2.202882      3.980423
  H      -2.125825      1.692932      3.370979
  H      -3.399746      2.780965      3.437853
95
Coordinates from ORCA-job orca E -6661.018228115617
  N      -1.682042      0.441809      5.500435
  Mo     -2.960538      1.965567      5.955370
  N      -4.431011      1.062154      6.909756
  C      -4.200638      0.317763      8.148075
  C      -2.715585      0.075096      8.320688
  N      -1.972262      1.290681      7.886206
  C      -0.561245      0.989287      7.556312
  C      -0.531211      0.110770      6.319961
  C      -2.052611      2.391410      8.884693
  C      -1.777423      3.687468      8.148490
  N      -2.567809      3.646669      6.917991
  H       0.425412      0.265554      5.784617
  H      -0.559375     -0.963614      6.585573
  H      -0.063255      1.945820      7.354275
  H      -0.057573      0.511576      8.412764
  H      -2.083125      4.537641      8.777987
  H      -0.704831      3.826274      7.931261
  H      -3.077592      2.410936      9.275798
  H      -1.352483      2.204315      9.716228
  H      -4.725404     -0.654138      8.107481
  H      -4.623655      0.874075      9.003281
  H      -2.402043     -0.747105      7.669122
  H      -2.456113     -0.180155      9.360944
  C      -4.019682      0.374784     -2.797802
  C      -4.908248      0.544924     -1.595206
  O      -6.063795      0.936815     -1.712140
  C      -4.383131      0.238124     -0.210262
  C      -5.346854      0.029319      0.774727
  C      -5.011588     -0.267976      2.098662
  O      -6.007245     -0.455818      2.985470
  C      -3.629493     -0.323737      2.475274
  C      -3.292429     -0.574230      3.871801
  O      -4.173948     -0.893741      4.703119
  C      -1.866318     -0.511318      4.413022
  C      -2.662362     -0.098317      1.471750
  C      -3.011475      0.161583      0.152767
  O      -2.053187      0.373020     -0.801638
  C      -8.931547      9.325881      4.535481
  C      -8.627078      8.028549      3.847851
  O      -9.343304      7.637893      2.904468
  C      -7.514606      7.178977      4.320506
  C      -6.660115      7.589490      5.355192
  C      -5.628728      6.778894      5.813495
  O      -4.799791      7.170667      6.821192
  C      -5.446210      5.485703      5.246427
  C      -4.454209      4.541057      5.731215
  O      -4.489655      3.340604      5.318261
  C      -3.388000      4.829587      6.722188
  C      -6.302705      5.070990      4.209770
  C      -7.315819      5.894704      3.725098
  O      -8.096087      5.450351      2.727444
  C     -11.809511      5.052676      4.197874
  C     -10.839787      5.518993      5.256115
  O     -10.897325      6.676535      5.660970
  C      -9.781918      4.595701      5.800082
  C      -9.049993      5.105929      6.879552
  C      -7.993001      4.412223      7.461649
  O      -7.337196      4.973575      8.497695
  C      -7.613048      3.150063      6.911626
  C      -6.391525      2.501635      7.385503
  O      -5.743479      2.971309      8.346137
  C      -5.837001      1.281256      6.644295
  C      -8.363755      2.623710      5.847751
  C      -9.443175      3.308253      5.293406
  O     -10.062583      2.666350      4.264532
  H      -3.284830      1.192961     -2.832712
  H      -4.637730      0.395646     -3.702015
  H      -3.441267     -0.557745     -2.741162
  H      -6.399569      0.104649      0.499942
  H      -5.528258     -0.683687      3.855565
  H      -1.729746     -1.532267      4.824235
  H      -1.084356     -0.398459      3.641026
  H      -1.596928     -0.138968      1.714478
  H      -1.179658      0.284791     -0.377475
  H      -9.176495      9.138654      5.592181
  H      -8.066357     10.004672      4.506700
  H      -9.786150      9.801420      4.043613
  H      -6.809486      8.564147      5.823883
  H      -5.076739      8.050237      7.138228
  H      -2.798424      5.713068      6.408114
  H      -3.878708      5.135469      7.666919
  H      -6.179063      4.079079      3.777663
  H      -8.729577      6.223431      2.536928
  H     -11.282752      4.902135      3.238033
  H     -12.324106      4.120977      4.484497
  H     -12.560135      5.834217      4.036095
  H      -9.319574      6.089372      7.264351
  H      -6.639015      4.293513      8.756977
  H      -6.005536      1.402634      5.567477
  H      -6.427700      0.396968      6.951225
  H      -8.108370      1.659594      5.407919
  H     -10.764540      3.220499      3.879981
  N      -2.717298      2.248275      3.996434
  H      -2.076780      1.748425      3.386803
  H      -3.357421      2.827063      3.453151
95
Coordinates from ORCA-job orca E -6661.018674441456
  N      -1.645146      0.506750      5.482947
  Mo     -2.943902      2.010149      5.955501
  N      -4.423351      1.086277      6.872311
  C      -4.205377      0.304493      8.089395
  C      -2.721413      0.059816      8.268657
  N      -1.980224      1.292286      7.880964
  C      -0.559960      1.011832      7.566348
  C      -0.506207      0.160878      6.312935
  C      -2.088350      2.365623      8.906496
  C      -1.806140      3.681983      8.209905
  N      -2.571535      3.671096      6.962228
  H       0.456665      0.327168      5.792516
  H      -0.534551     -0.919154      6.557262
  H      -0.068250      1.976651      7.390400
  H      -0.064288      0.520511      8.419841
  H      -2.128556      4.514102      8.854855
  H      -0.730161      3.830866      8.018211
  H      -3.121785      2.369806      9.275619
  H      -1.404673      2.160649      9.747462
  H      -4.726745     -0.666935      8.012094
  H      -4.640502      0.831447      8.957080
  H      -2.400327     -0.738792      7.591455
  H      -2.469536     -0.228462      9.302115
  C      -4.116457      0.200270     -2.813759
  C      -4.992829      0.326353     -1.597008
  O      -6.178930      0.618368     -1.700328
  C      -4.423475      0.085302     -0.215922
  C      -5.353628     -0.169920      0.790533
  C      -4.976400     -0.410065      2.114654
  O      -5.940951     -0.639557      3.025102
  C      -3.589458     -0.363840      2.465843
  C      -3.213368     -0.564221      3.859678
  O      -4.057072     -0.928382      4.711222
  C      -1.781056     -0.416441      4.366048
  C      -2.655904     -0.093963      1.441710
  C      -3.043829      0.114980      0.124088
  O      -2.120499      0.374068     -0.852844
  C      -8.950606      9.351033      4.610711
  C      -8.621585      8.073099      3.898524
  O      -9.327795      7.689573      2.944698
  C      -7.508561      7.224106      4.370719
  C      -6.680625      7.616350      5.433756
  C      -5.650737      6.804679      5.894344
  O      -4.846566      7.179592      6.928847
  C      -5.443967      5.527623      5.298974
  C      -4.451843      4.579545      5.776173
  O      -4.470156      3.390442      5.330348
  C      -3.402618      4.850443      6.789750
  C      -6.273674      5.131571      4.233747
  C      -7.282999      5.958297      3.746822
  O      -8.030550      5.535407      2.715468
  C     -11.753261      5.143949      4.124214
  C     -10.828373      5.562988      5.241344
  O     -10.920051      6.694041      5.709836
  C      -9.777452      4.624144      5.772281
  C      -9.081525      5.089708      6.895101
  C      -8.034213      4.379565      7.474047
  O      -7.415122      4.895594      8.555617
  C      -7.623862      3.149596      6.876836
  C      -6.406349      2.496695      7.354898
  O      -5.791958      2.934198      8.351556
  C      -5.825726      1.304941      6.587673
  C      -8.340980      2.664409      5.771077
  C      -9.412833      3.363169      5.218976
  O      -9.999939      2.759213      4.149140
  H      -3.455156      1.076853     -2.884192
  H      -4.752103      0.147437     -3.704409
  H      -3.459471     -0.677989     -2.749289
  H      -6.413263     -0.173122      0.533081
  H      -5.435094     -0.796721      3.893543
  H      -1.558489     -1.437417      4.741528
  H      -1.026352     -0.226357      3.582036
  H      -1.586887     -0.058226      1.668808
  H      -1.234195      0.363840     -0.446871
  H      -9.200429      9.138191      5.661213
  H      -8.095461     10.043133      4.602895
  H      -9.808601      9.823992      4.122377
  H      -6.850967      8.576882      5.923866
  H      -5.141306      8.046327      7.264988
  H      -2.819209      5.749686      6.510676
  H      -3.910032      5.122548      7.736119
  H      -6.130111      4.153042      3.777988
  H      -8.660523      6.311025      2.522749
  H     -11.189172      5.042787      3.179407
  H     -12.269983      4.196143      4.347526
  H     -12.504719      5.926737      3.973181
  H      -9.372606      6.051250      7.317790
  H      -6.720309      4.210030      8.804680
  H      -5.974029      1.457735      5.511999
  H      -6.414691      0.406563      6.855133
  H      -8.066085      1.722317      5.296904
  H     -10.706289      3.316725      3.777687
  N      -2.681243      2.332506      4.004531
  H      -2.045628      1.833236      3.389320
  H      -3.325393      2.910492      3.465320
95
Coordinates from ORCA-job orca E -6661.018756613722
  N      -1.626887      0.542796      5.478289
  Mo     -2.937931      2.034074      5.954358
  N      -4.422038      1.097642      6.846870
  C      -4.208950      0.286475      8.045633
  C      -2.725032      0.046486      8.231193
  N      -1.989715      1.292536      7.877610
  C      -0.562944      1.032430      7.577023
  C      -0.485618      0.204433      6.308976
  C      -2.122518      2.346932      8.919425
  C      -1.832714      3.675212      8.249384
  N      -2.574919      3.683472      6.986727
  H       0.476946      0.396976      5.797036
  H      -0.495437     -0.879791      6.534771
  H      -0.078359      2.004487      7.423357
  H      -0.072723      0.530913      8.427696
  H      -2.170035      4.495405      8.901893
  H      -0.753830      3.830719      8.081211
  H      -3.162784      2.340290      9.268831
  H      -1.453002      2.131654      9.769179
  H      -4.721807     -0.686500      7.936884
  H      -4.657804      0.785760      8.922605
  H      -2.394827     -0.733126      7.536664
  H      -2.478294     -0.264271      9.259406
  C      -4.177226      0.134745     -2.807008
  C      -5.050866      0.185080     -1.582956
  O      -6.254730      0.397460     -1.676707
  C      -4.454839     -0.010875     -0.205961
  C      -5.356724     -0.331145      0.807802
  C      -4.952571     -0.545144      2.128155
  O      -5.889411     -0.852324      3.044667
  C      -3.570703     -0.399222      2.468322
  C      -3.170422     -0.573362      3.859298
  O      -3.982486     -0.987698      4.717749
  C      -1.738865     -0.362843      4.346217
  C      -2.665442     -0.066873      1.437014
  C      -3.077848      0.115827      0.122796
  O      -2.184699      0.441447     -0.862427
  C      -8.928516      9.400068      4.662208
  C      -8.595129      8.132976      3.932805
  O      -9.296182      7.762203      2.970431
  C      -7.485714      7.276567      4.401384
  C      -6.667680      7.651374      5.478180
  C      -5.643392      6.831535      5.936784
  O      -4.849117      7.189532      6.985141
  C      -5.433509      5.562787      5.325349
  C      -4.446604      4.606378      5.797236
  O      -4.463122      3.422634      5.337601
  C      -3.406015      4.863886      6.822726
  C      -6.252892      5.183874      4.246168
  C      -7.254717      6.020431      3.760320
  O      -7.989022      5.616511      2.711843
  C     -11.742148      5.151559      4.080438
  C     -10.819095      5.569209      5.200019
  O     -10.906308      6.702130      5.664895
  C      -9.777153      4.625514      5.739378
  C      -9.090697      5.085674      6.870378
  C      -8.049590      4.372018      7.455915
  O      -7.441395      4.882792      8.546382
  C      -7.632497      3.145705      6.855152
  C      -6.416901      2.491384      7.336753
  O      -5.814879      2.914638      8.346714
  C      -5.823437      1.315843      6.555442
  C      -8.342068      2.665078      5.742512
  C      -9.410694      3.365441      5.185851
  O      -9.991332      2.764641      4.111072
  H      -3.601191      1.069438     -2.884593
  H      -4.813852      0.025511     -3.691830
  H      -3.440523     -0.677945     -2.750170
  H      -6.415109     -0.412046      0.558186
  H      -5.365820     -0.986799      3.904872
  H      -1.462545     -1.379055      4.698951
  H      -1.007180     -0.130025      3.552504
  H      -1.600407      0.043722      1.657435
  H      -1.296053      0.499087     -0.465787
  H      -9.176297      9.171735      5.709821
  H      -8.076406     10.096069      4.662877
  H      -9.788765      9.875919      4.180659
  H      -6.842279      8.604330      5.981563
  H      -5.146767      8.050944      7.332235
  H      -2.822020      5.768024      6.561110
  H      -3.922540      5.123104      7.767958
  H      -6.106734      4.212264      3.776772
  H      -8.610518      6.399144      2.520007
  H     -11.173917      5.053442      3.137686
  H     -12.258634      4.202657      4.299318
  H     -12.493282      5.934532      3.928954
  H      -9.383744      6.046008      7.294486
  H      -6.750293      4.196246      8.800607
  H      -5.965204      1.483568      5.481334
  H      -6.409844      0.410562      6.805326
  H      -8.065937      1.723590      5.267937
  H     -10.700873      3.319063      3.741106
  N      -2.676948      2.370510      4.005350
  H      -2.043573      1.872453      3.386936
  H      -3.324764      2.947097      3.469011
95
Coordinates from ORCA-job orca E -6661.018874489027
  N      -1.614813      0.549393      5.477394
  Mo     -2.932577      2.036263      5.950999
  N      -4.415574      1.090548      6.833510
  C      -4.203754      0.273033      8.028243
  C      -2.719344      0.040189      8.219778
  N      -1.989189      1.291820      7.875944
  C      -0.559653      1.041831      7.580663
  C      -0.471989      0.218660      6.309494
  C      -2.133783      2.341032      8.921148
  C      -1.845281      3.673257      8.258526
  N      -2.578840      3.683969      6.990399
  H       0.489693      0.421239      5.800146
  H      -0.472763     -0.866077      6.532259
  H      -0.080704      2.017406      7.432317
  H      -0.069989      0.540478      8.431702
  H      -2.190563      4.489365      8.911960
  H      -0.765949      3.834022      8.098532
  H      -3.176486      2.328591      9.263028
  H      -1.469075      2.125541      9.774631
  H      -4.710209     -0.702196      7.910504
  H      -4.660546      0.763829      8.905941
  H      -2.382495     -0.733283      7.522067
  H      -2.475375     -0.274913      9.247310
  C      -4.207628      0.138889     -2.788637
  C      -5.072470      0.196030     -1.558748
  O      -6.277611      0.403829     -1.645870
  C      -4.469295     -0.002985     -0.185325
  C      -5.365891     -0.328033      0.831420
  C      -4.955125     -0.545088      2.149242
  O      -5.887430     -0.851259      3.070462
  C      -3.572107     -0.399844      2.482946
  C      -3.164118     -0.582843      3.871343
  O      -3.973640     -0.995396      4.732586
  C      -1.731007     -0.365234      4.352360
  C      -2.672072     -0.061100      1.448721
  C      -3.091133      0.126199      0.137376
  O      -2.204357      0.459184     -0.850747
  C      -8.933390      9.395008      4.648203
  C      -8.596649      8.127765      3.920648
  O      -9.290838      7.758738      2.952654
  C      -7.489301      7.271224      4.394228
  C      -6.675017      7.646567      5.473677
  C      -5.650567      6.828126      5.934781
  O      -4.859657      7.186760      6.985421
  C      -5.436438      5.560511      5.322668
  C      -4.448643      4.605249      5.795634
  O      -4.460686      3.422869      5.332934
  C      -3.411688      4.863095      6.824728
  C      -6.252696      5.180716      4.241486
  C      -7.255340      6.015303      3.754013
  O      -7.988258      5.608935      2.705466
  C     -11.719362      5.170785      4.070977
  C     -10.800916      5.577722      5.198324
  O     -10.886758      6.707703      5.670517
  C      -9.762994      4.627973      5.734484
  C      -9.081362      5.077163      6.872779
  C      -8.044638      4.356397      7.457303
  O      -7.441847      4.855900      8.556020
  C      -7.626188      3.135113      6.847906
  C      -6.413259      2.475844      7.329864
  O      -5.814684      2.891622      8.344753
  C      -5.816524      1.308084      6.540066
  C      -8.330781      2.665470      5.727458
  C      -9.395556      3.372317      5.171642
  O      -9.972175      2.781038      4.089319
  H      -3.635703      1.075195     -2.877299
  H      -4.850971      0.022391     -3.667709
  H      -3.467815     -0.670890     -2.732756
  H      -6.425338     -0.409120      0.586202
  H      -5.361635     -0.978932      3.929292
  H      -1.448312     -1.377932      4.709068
  H      -1.006312     -0.135839      3.551679
  H      -1.606501      0.049356      1.664849
  H      -1.314423      0.523031     -0.458145
  H      -9.189867      9.166036      5.693600
  H      -8.080144     10.089493      4.656241
  H      -9.789111      9.872667      4.160436
  H      -6.852352      8.599084      5.976931
  H      -5.160070      8.047122      7.332743
  H      -2.828579      5.768653      6.566160
  H      -3.931748      5.120706      7.768464
  H      -6.103901      4.209491      3.772137
  H      -8.613896      6.388269      2.515140
  H     -11.146572      5.081858      3.130032
  H     -12.236700      4.219793      4.278317
  H     -12.469648      5.955319      3.923523
  H      -9.375115      6.034118      7.303939
  H      -6.754052      4.165898      8.808665
  H      -5.955715      1.484666      5.467172
  H      -6.401886      0.399727      6.781087
  H      -8.053649      1.727793      5.245923
  H     -10.678451      3.339842      3.719717
  N      -2.668814      2.376546      4.003120
  H      -2.037883      1.875845      3.384340
  H      -3.315371      2.955077      3.467235
95
Coordinates from ORCA-job orca E -6661.019002094367
  N      -1.568088      0.583007      5.478040
  Mo     -2.910322      2.050578      5.944381
  N      -4.397036      1.074089      6.780899
  C      -4.197554      0.225950      7.956344
  C      -2.713482      0.013401      8.175717
  N      -1.996842      1.283394      7.875164
  C      -0.557364      1.064755      7.606216
  C      -0.426786      0.269563      6.319323
  C      -2.185034      2.309655      8.935419
  C      -1.895245      3.658230      8.307481
  N      -2.590702      3.685280      7.017384
  H       0.535262      0.510208      5.828165
  H      -0.399467     -0.818405      6.521505
  H      -0.093521      2.051438      7.487956
  H      -0.077288      0.554946      8.457559
  H      -2.271644      4.456485      8.965727
  H      -0.814021      3.837199      8.183734
  H      -3.237283      2.278065      9.245333
  H      -1.542408      2.086731      9.803825
  H      -4.682146     -0.754472      7.797320
  H      -4.685378      0.681300      8.836467
  H      -2.351189     -0.736282      7.465606
  H      -2.485325     -0.322055      9.200350
  C      -4.336643      0.138686     -2.720987
  C      -5.173225      0.175234     -1.470945
  O      -6.383534      0.361706     -1.528969
  C      -4.533808     -0.015948     -0.113099
  C      -5.396033     -0.379345      0.919639
  C      -4.948497     -0.594296      2.226070
  O      -5.852101     -0.931695      3.164673
  C      -3.562664     -0.411425      2.529160
  C      -3.111789     -0.600713      3.905172
  O      -3.886040     -1.040391      4.784511
  C      -1.675461     -0.330752      4.351374
  C      -2.698462     -0.031395      1.477897
  C      -3.154143      0.157144      0.179470
  O      -2.304520      0.533277     -0.824880
  C      -8.932135      9.396386      4.626219
  C      -8.581939      8.134091      3.896770
  O      -9.260630      7.769657      2.915960
  C      -7.480210      7.276369      4.381307
  C      -6.680675      7.647050      5.473340
  C      -5.658369      6.829279      5.940965
  O      -4.880917      7.184358      7.002569
  C      -5.430891      5.567420      5.321902
  C      -4.443824      4.612203      5.798087
  O      -4.440664      3.436596      5.319536
  C      -3.424479      4.863463      6.846333
  C      -6.233530      5.192040      4.229128
  C      -7.234995      6.025009      3.736737
  O      -7.957268      5.620248      2.680099
  C     -11.677298      5.207698      4.037542
  C     -10.759775      5.594210      5.172642
  O     -10.840412      6.718207      5.659908
  C      -9.729368      4.631511      5.699340
  C      -9.059185      5.055145      6.854032
  C      -8.032183      4.318247      7.435568
  O      -7.442066      4.791969      8.552586
  C      -7.609475      3.109648      6.805472
  C      -6.402487      2.438808      7.287715
  O      -5.818568      2.828923      8.320680
  C      -5.794820      1.292911      6.474981
  C      -8.300768      2.666712      5.666051
  C      -9.357223      3.387916      5.113049
  O      -9.920549      2.821724      4.010180
  H      -3.797003      1.092343     -2.826964
  H      -4.998241      0.000624     -3.583327
  H      -3.571416     -0.647936     -2.682555
  H      -6.457591     -0.491629      0.696835
  H      -5.309243     -1.040352      4.014410
  H      -1.343760     -1.332874      4.693281
  H      -0.983697     -0.071594      3.531051
  H      -1.632080      0.107753      1.670152
  H      -1.410603      0.638601     -0.450933
  H      -9.214805      9.158165      5.662901
  H      -8.077559     10.088110      4.661283
  H      -9.774967      9.880525      4.122679
  H      -6.867284      8.595479      5.980947
  H      -5.187943      8.042006      7.350742
  H      -2.839752      5.772748      6.605329
  H      -3.960960      5.112726      7.782948
  H      -6.075219      4.224707      3.754853
  H      -8.588262      6.395438      2.491554
  H     -11.102786      5.137995      3.096007
  H     -12.193875      4.252395      4.225497
  H     -12.427622      5.994613      3.903628
  H      -9.355429      6.003677      7.301734
  H      -6.760764      4.095136      8.800956
  H      -5.921244      1.498417      5.405867
  H      -6.380032      0.376758      6.684840
  H      -8.018837      1.739706      5.166840
  H     -10.613670      3.394630      3.637390
  N      -2.622908      2.412147      4.003744
  H      -1.989662      1.913287      3.385642
  H      -3.268182      2.991061      3.466647
95
Coordinates from ORCA-job orca E -6661.019053078117
  N      -1.543360      0.597624      5.481229
  Mo     -2.899697      2.053378      5.945101
  N      -4.384901      1.057229      6.757521
  C      -4.188718      0.193397      7.922533
  C      -2.704661     -0.004054      8.157867
  N      -1.998255      1.276138      7.877879
  C      -0.554137      1.075571      7.621714
  C      -0.399803      0.298864      6.325039
  C      -2.209495      2.289981      8.945496
  C      -1.923174      3.647588      8.335762
  N      -2.598842      3.681896      7.034999
  H       0.559654      0.566010      5.842798
  H      -0.351326     -0.790336      6.514861
  H      -0.099099      2.068368      7.522810
  H      -0.078434      0.559000      8.471393
  H      -2.318068      4.435214      8.995931
  H      -0.842057      3.839096      8.230867
  H      -3.265777      2.246462      9.240090
  H      -1.577005      2.064312      9.820646
  H      -4.657497     -0.790661      7.741022
  H      -4.694722      0.628128      8.802594
  H      -2.326798     -0.742300      7.443867
  H      -2.484405     -0.346926      9.181696
  C      -4.429181      0.181070     -2.665776
  C      -5.244156      0.215691     -1.401446
  O      -6.457661      0.385756     -1.439227
  C      -4.581945      0.014783     -0.056168
  C      -5.421841     -0.380638      0.983059
  C      -4.949347     -0.609746      2.278315
  O      -5.830397     -0.982260      3.225135
  C      -3.562848     -0.407993      2.562628
  C      -3.089073     -0.612270      3.928820
  O      -3.843926     -1.080147      4.809738
  C      -1.651537     -0.322990      4.360113
  C      -2.721406      0.004587      1.505192
  C      -3.201015      0.207615      0.217842
  O      -2.375575      0.617234     -0.793383
  C      -8.898094      9.418825      4.589346
  C      -8.555866      8.147908      3.871539
  O      -9.230823      7.783658      2.888012
  C      -7.460734      7.286541      4.364525
  C      -6.663232      7.657797      5.457811
  C      -5.647185      6.836473      5.933059
  O      -4.871224      7.192588      6.995368
  C      -5.423379      5.571154      5.319761
  C      -4.440446      4.613688      5.801003
  O      -4.433893      3.439638      5.319455
  C      -3.428736      4.861912      6.857354
  C      -6.223661      5.195649      4.225339
  C      -7.219854      6.031104      3.726509
  O      -7.941047      5.625158      2.669520
  C     -11.668608      5.182109      4.010646
  C     -10.741119      5.574576      5.135466
  O     -10.811313      6.703960      5.611982
  C      -9.713406      4.610862      5.664921
  C      -9.045160      5.033684      6.821031
  C      -8.023661      4.292730      7.407180
  O      -7.438121      4.763280      8.527896
  C      -7.602273      3.082865      6.778625
  C      -6.398647      2.408793      7.265373
  O      -5.817188      2.797883      8.299951
  C      -5.782630      1.271887      6.445945
  C      -8.290503      2.641984      5.636599
  C      -9.343389      3.365806      5.080427
  O      -9.904812      2.800759      3.975870
  H      -3.905522      1.141819     -2.786982
  H      -5.104472      0.029825     -3.515308
  H      -3.652578     -0.594567     -2.637110
  H      -6.484385     -0.509146      0.774090
  H      -5.272310     -1.099195      4.062962
  H      -1.302439     -1.319127      4.700965
  H      -0.974763     -0.058359      3.528782
  H      -1.654941      0.159020      1.684224
  H      -1.478794      0.739643     -0.431746
  H      -9.191164      9.190186      5.625320
  H      -8.036594     10.101804      4.626200
  H      -9.732199      9.908107      4.076310
  H      -6.846336      8.609624      5.960354
  H      -5.174870      8.053491      7.338498
  H      -2.840052      5.769877      6.620920
  H      -3.971733      5.113211      7.789589
  H      -6.067530      4.226223      3.754607
  H      -8.566936      6.403260      2.475313
  H     -11.102256      5.112547      3.064131
  H     -12.179760      4.225365      4.205101
  H     -12.422165      5.966708      3.881278
  H      -9.339947      5.983356      7.267305
  H      -6.762720      4.062453      8.780952
  H      -5.905178      1.486311      5.378090
  H      -6.364443      0.351296      6.645259
  H      -8.009258      1.714221      5.138320
  H     -10.592197      3.377214      3.597919
  N      -2.609043      2.422845      4.007105
  H      -1.968916      1.931104      3.390529
  H      -3.256892      2.998550      3.469628
95
Coordinates from ORCA-job orca E -6661.019148139085
  N      -1.505187      0.620189      5.485565
  Mo     -2.881758      2.058512      5.944852
  N      -4.368066      1.038137      6.720386
  C      -4.181368      0.154995      7.872877
  C      -2.699236     -0.025615      8.134489
  N      -2.003109      1.265668      7.881979
  C      -0.553332      1.084154      7.647391
  C      -0.365399      0.333807      6.338518
  C      -2.244246      2.263441      8.958238
  C      -1.962260      3.632925      8.373431
  N      -2.609311      3.677336      7.058454
  H       0.593558      0.632427      5.874301
  H      -0.294661     -0.756920      6.510425
  H      -0.106720      2.083205      7.577737
  H      -0.088020      0.555479      8.495369
  H      -2.383599      4.405442      9.035059
  H      -0.881891      3.841768      8.295780
  H      -3.305489      2.204989      9.231967
  H      -1.626148      2.033118      9.842458
  H      -4.630431     -0.832101      7.661803
  H      -4.712131      0.565389      8.749799
  H      -2.300025     -0.751442      7.418993
  H      -2.493646     -0.376522      9.158535
  C      -4.571881      0.236469     -2.582333
  C      -5.353612      0.255769     -1.296646
  O      -6.567803      0.424753     -1.299267
  C      -4.653448      0.044072      0.027209
  C      -5.456105     -0.390549      1.079900
  C      -4.941976     -0.636224      2.356294
  O      -5.787244     -1.050644      3.318347
  C      -3.553080     -0.408889      2.607309
  C      -3.039739     -0.629172      3.956240
  O      -3.758323     -1.140586      4.843185
  C      -1.603546     -0.300444      4.363678
  C      -2.750242      0.043730      1.536412
  C      -3.269877      0.261801      0.267407
  O      -2.482583      0.709179     -0.758202
  C      -8.871414      9.429732      4.556769
  C      -8.527719      8.157447      3.842362
  O      -9.196710      7.794717      2.854107
  C      -7.437188      7.294383      4.342384
  C      -6.647074      7.663993      5.441555
  C      -5.636543      6.840375      5.924490
  O      -4.868765      7.194261      6.993402
  C      -5.409667      5.575229      5.312152
  C      -4.430893      4.616449      5.799859
  O      -4.417714      3.444782      5.313650
  C      -3.432955      4.860035      6.870391
  C      -6.201621      5.201986      4.210926
  C      -7.193624      6.038688      3.705709
  O      -7.908557      5.633602      2.644161
  C     -11.644699      5.165486      3.962921
  C     -10.714536      5.558236      5.085180
  O     -10.780673      6.688918      5.559323
  C      -9.689378      4.592642      5.615563
  C      -9.028911      5.008846      6.778507
  C      -8.014120      4.262079      7.369279
  O      -7.437528      4.725167      8.497605
  C      -7.590050      3.054723      6.736932
  C      -6.390812      2.375323      7.227704
  O      -5.820942      2.749963      8.274014
  C      -5.764404      1.250479      6.398563
  C      -8.269848      2.621556      5.587012
  C      -9.317404      3.350087      5.027191
  O      -9.871921      2.791634      3.915735
  H      -4.064468      1.204685     -2.712779
  H      -5.267539      0.080651     -3.414491
  H      -3.785163     -0.529358     -2.577660
  H      -6.520817     -0.539228      0.897135
  H      -5.202517     -1.175628      4.136738
  H      -1.219390     -1.286518      4.694928
  H      -0.950195     -0.013642      3.520477
  H      -1.682738      0.218483      1.689706
  H      -1.580212      0.850682     -0.417943
  H      -9.177939      9.201580      5.589051
  H      -8.006691     10.107877      4.604237
  H      -9.697015      9.923787      4.034587
  H      -6.832126      8.616011      5.943039
  H      -5.173174      8.055777      7.334328
  H      -2.838165      5.766210      6.642224
  H      -3.987329      5.113599      7.795205
  H      -6.042682      4.232941      3.740371
  H      -8.531398      6.413546      2.445442
  H     -11.082861      5.109862      3.012661
  H     -12.144513      4.201925      4.151737
  H     -12.406033      5.944135      3.843213
  H      -9.325327      5.956885      7.227183
  H      -6.767156      4.020099      8.753399
  H      -5.878831      1.479161      5.332632
  H      -6.343722      0.324924      6.580250
  H      -7.985885      1.696150      5.085719
  H     -10.551380      3.373511      3.531854
  N      -2.579103      2.440128      4.011931
  H      -1.929441      1.956835      3.398912
  H      -3.228472      3.012071      3.472210
95
Coordinates from ORCA-job orca E -6661.019286966618
  N      -1.436486      0.669312      5.489969
  Mo     -2.848317      2.075758      5.941189
  N      -4.337630      1.013337      6.645096
  C      -4.169347      0.093689      7.772286
  C      -2.693064     -0.062053      8.081363
  N      -2.014814      1.247836      7.883425
  C      -0.556001      1.098691      7.690683
  C      -0.308356      0.397791      6.362756
  C      -2.309711      2.212709      8.975814
  C      -2.034423      3.603349      8.439728
  N      -2.628999      3.671601      7.101197
  H       0.650246      0.747250      5.935028
  H      -0.202651     -0.694289      6.502513
  H      -0.125018      2.106848      7.674192
  H      -0.110427      0.546987      8.534582
  H      -2.501867      4.346703      9.103776
  H      -0.957149      3.840337      8.412837
  H      -3.378756      2.128781      9.210002
  H      -1.718973      1.969725      9.875272
  H      -4.584373     -0.895131      7.507930
  H      -4.741924      0.460203      8.641961
  H      -2.256692     -0.762865      7.362180
  H      -2.514775     -0.432178      9.103607
  C      -4.830997      0.292761     -2.429049
  C      -5.547216      0.282770     -1.105322
  O      -6.762396      0.430681     -1.042320
  C      -4.775417      0.062499      0.176009
  C      -5.504132     -0.440321      1.251442
  C      -4.913594     -0.703737      2.491026
  O      -5.689345     -1.190826      3.477494
  C      -3.525269     -0.418912      2.681523
  C      -2.937040     -0.652953      3.996524
  O      -3.580562     -1.238921      4.895189
  C      -1.509519     -0.242205      4.358939
  C      -2.798900      0.101994      1.587343
  C      -3.391953      0.334207      0.353850
  O      -2.678963      0.846208     -0.695766
  C      -8.838789      9.447362      4.527422
  C      -8.481181      8.182106      3.807665
  O      -9.135292      7.825907      2.806977
  C      -7.397577      7.316343      4.317489
  C      -6.627373      7.676119      5.433897
  C      -5.625334      6.848248      5.927031
  O      -4.878310      7.191713      7.013801
  C      -5.385536      5.589604      5.306402
  C      -4.413677      4.627556      5.802217
  O      -4.384532      3.463218      5.300554
  C      -3.443265      4.858525      6.900755
  C      -6.156387      5.227105      4.186763
  C      -7.141292      6.067101      3.673012
  O      -7.838004      5.671274      2.596022
  C     -11.599593      5.157711      3.873987
  C     -10.668161      5.542580      4.997559
  O     -10.732086      6.670464      5.478793
  C      -9.647641      4.570661      5.524638
  C      -9.005714      4.966618      6.704925
  C      -8.003228      4.206838      7.300545
  O      -7.447345      4.647166      8.448169
  C      -7.569748      3.010580      6.653355
  C      -6.378886      2.321260      7.150764
  O      -5.830861      2.670006      8.217465
  C      -5.730194      1.222737      6.302307
  C      -8.229264      2.599219      5.483919
  C      -9.266746      3.338711      4.919980
  O      -9.802091      2.801152      3.788906
  H      -4.362968      1.277626     -2.579766
  H      -5.562369      0.117583     -3.226089
  H      -4.021271     -0.447687     -2.467399
  H      -6.569102     -0.632259      1.117123
  H      -5.057179     -1.320282      4.259804
  H      -1.055012     -1.205582      4.664938
  H      -0.902922      0.093418      3.498349
  H      -1.733201      0.319658      1.692358
  H      -1.769827      1.027160     -0.394179
  H      -9.172400      9.207640      5.548798
  H      -7.973502     10.121813      4.604943
  H      -9.649724      9.950068      3.990672
  H      -6.822196      8.622994      5.941382
  H      -5.188625      8.050360      7.356614
  H      -2.839520      5.764096      6.694179
  H      -4.019862      5.109001      7.812559
  H      -5.986946      4.263348      3.709105
  H      -8.457442      6.453756      2.393967
  H     -11.042908      5.130449      2.919273
  H     -12.082710      4.182864      4.045574
  H     -12.372394      5.927755      3.773026
  H      -9.309010      5.907001      7.164976
  H      -6.787371      3.932649      8.705771
  H      -5.827749      1.480637      5.241260
  H      -6.304343      0.287958      6.447462
  H      -7.936401      1.682993      4.970809
  H     -10.465298      3.395539      3.396069
  N      -2.515921      2.487352      4.020558
  H      -1.853277      2.016149      3.412352
  H      -3.165518      3.056032      3.477599
95
Coordinates from ORCA-job orca E -6661.019451950518
  N      -1.365858      0.713629      5.493396
  Mo     -2.810709      2.090598      5.934239
  N      -4.301490      0.988766      6.564322
  C      -4.153252      0.039719      7.670740
  C      -2.685626     -0.095660      8.028746
  N      -2.023425      1.228804      7.881160
  C      -0.557685      1.106493      7.730722
  C      -0.253840      0.451756      6.389389
  C      -2.368522      2.162203      8.985734
  C      -2.101802      3.571062      8.495326
  N      -2.646448      3.662342      7.137383
  H       0.704488      0.843529      5.999652
  H      -0.118939     -0.639830      6.501876
  H      -0.141259      2.120388      7.763803
  H      -0.132240      0.532645      8.570275
  H      -2.612487      4.286125      9.158619
  H      -1.030022      3.833385      8.516741
  H      -3.443191      2.055373      9.181794
  H      -1.804024      1.906573      9.898482
  H      -4.536041     -0.948708      7.361478
  H      -4.764614      0.370252      8.528002
  H      -2.214205     -0.775052      7.310823
  H      -2.536157     -0.482086      9.049452
  C      -5.116669      0.390975     -2.232144
  C      -5.756541      0.337029     -0.870618
  O      -6.967437      0.466445     -0.732519
  C      -4.907538      0.096894      0.356560
  C      -5.553238     -0.480150      1.447220
  C      -4.881091     -0.769377      2.638928
  O      -5.578066     -1.334040      3.642750
  C      -3.497777     -0.428974      2.766218
  C      -2.830715     -0.682262      4.038379
  O      -3.391917     -1.345073      4.939198
  C      -1.416583     -0.194544      4.357835
  C      -2.856641      0.165195      1.656229
  C      -3.528024      0.419321      0.468310
  O      -2.898110      1.000985     -0.598185
  C      -8.807147      9.457184      4.494989
  C      -8.434215      8.199539      3.769949
  O      -9.072657      7.849694      2.756769
  C      -7.355920      7.332646      4.288430
  C      -6.606338      7.682869      5.421768
  C      -5.611841      6.851679      5.924388
  O      -4.886066      7.184808      7.028563
  C      -5.357473      5.600277      5.295019
  C      -4.392440      4.635408      5.799192
  O      -4.345685      3.478873      5.282067
  C      -3.450591      4.853697      6.925149
  C      -6.106072      5.248573      4.157011
  C      -7.084865      6.090963      3.635379
  O      -7.762260      5.704634      2.542856
  C     -11.554135      5.139770      3.768895
  C     -10.624551      5.517924      4.895949
  O     -10.691889      6.641369      5.387150
  C      -9.604844      4.542848      5.418249
  C      -8.985792      4.917357      6.617606
  C      -7.993966      4.146776      7.217613
  O      -7.462847      4.563146      8.385629
  C      -7.545509      2.964819      6.554206
  C      -6.363102      2.267280      7.060267
  O      -5.841840      2.588968      8.148680
  C      -5.689117      1.195022      6.196835
  C      -8.179927      2.576673      5.363263
  C      -9.208181      3.325367      4.794768
  O      -9.718365      2.810777      3.641496
  H      -4.687915      1.392227     -2.390702
  H      -5.886186      0.206488     -2.990310
  H      -4.289239     -0.324244     -2.328490
  H      -6.615314     -0.712807      1.364185
  H      -4.896131     -1.471217      4.381413
  H      -0.898232     -1.130721      4.643391
  H      -0.857179      0.180332      3.481138
  H      -1.796041      0.423507      1.710628
  H      -1.983603      1.216244     -0.338044
  H      -9.167278      9.205514      5.504582
  H      -7.942684     10.128369      4.602677
  H      -9.603533      9.968078      3.944347
  H      -6.812475      8.623872      5.935646
  H      -5.204069      8.039343      7.374579
  H      -2.838341      5.758399      6.740125
  H      -4.048834      5.101383      7.823473
  H      -5.924632      4.290734      3.671953
  H      -8.379487      6.488811      2.338308
  H     -11.001805      5.143690      2.811172
  H     -12.017642      4.152612      3.921116
  H     -12.340586      5.898209      3.686565
  H      -9.301113      5.847233      7.090750
  H      -6.810233      3.841426      8.643139
  H      -5.767209      1.480440      5.141137
  H      -6.257187      0.251981      6.305042
  H      -7.873694      1.672113      4.837276
  H     -10.365551      3.416687      3.239873
  N      -2.445534      2.532451      4.027748
  H      -1.768886      2.072838      3.426505
  H      -3.093944      3.097949      3.480007
95
Coordinates from ORCA-job orca E -6661.019597314983
  N      -1.296159      0.758410      5.493321
  Mo     -2.773017      2.106140      5.923846
  N      -4.263375      0.966527      6.476630
  C      -4.136243     -0.011461      7.561225
  C      -2.680057     -0.129576      7.969959
  N      -2.033465      1.207098      7.872571
  C      -0.562582      1.107839      7.765600
  C      -0.203659      0.501294      6.413984
  C      -2.426776      2.107875      8.987770
  C      -2.171311      3.534038      8.544116
  N      -2.666072      3.650464      7.169675
  H       0.753789      0.931456      6.064942
  H      -0.042424     -0.588783      6.499995
  H      -0.160646      2.124678      7.850179
  H      -0.158422      0.509507      8.598605
  H      -2.725377      4.218952      9.204383
  H      -1.107756      3.821387      8.614278
  H      -3.505243      1.979303      9.146362
  H      -1.887949      1.838025      9.911909
  H      -4.486268     -0.997037      7.208354
  H      -4.784919      0.284969      8.402954
  H      -2.174627     -0.788826      7.255990
  H      -2.560955     -0.531915      8.988343
  C      -5.393031      0.476322     -2.016833
  C      -5.951981      0.399899     -0.620848
  O      -7.150738      0.534528     -0.405492
  C      -5.029565      0.137777      0.546680
  C      -5.595295     -0.496702      1.649296
  C      -4.844826     -0.811769      2.786947
  O      -5.465436     -1.437745      3.804494
  C      -3.466937     -0.432764      2.848956
  C      -2.726170     -0.701425      4.075002
  O      -3.209805     -1.426089      4.973621
  C      -1.326815     -0.150073      4.356454
  C      -2.907672      0.217620      1.726336
  C      -3.654363      0.493628      0.589606
  O      -3.104739      1.129463     -0.490414
  C      -8.780556      9.465247      4.470186
  C      -8.391787      8.216071      3.739165
  O      -9.015451      7.872630      2.714379
  C      -7.316391      7.349538      4.263257
  C      -6.586122      7.689988      5.412090
  C      -5.597771      6.855854      5.921868
  O      -4.892139      7.178099      7.042146
  C      -5.328594      5.612495      5.282756
  C      -4.370207      4.644409      5.793859
  O      -4.305568      3.496592      5.260491
  C      -3.457674      4.847811      6.946809
  C      -6.055757      5.272315      4.127457
  C      -7.030053      6.116572      3.600355
  O      -7.689242      5.740446      2.493415
  C     -11.520784      5.116108      3.670754
  C     -10.588883      5.490209      4.796876
  O     -10.660375      6.609086      5.298023
  C      -9.565764      4.514521      5.310932
  C      -8.965836      4.869318      6.525911
  C      -7.981935      4.089447      7.127382
  O      -7.472272      4.482841      8.312667
  C      -7.519503      2.921863      6.448119
  C      -6.344410      2.216929      6.960784
  O      -5.850060      2.510918      8.069428
  C      -5.645301      1.170911      6.083676
  C      -8.131690      2.555654      5.238870
  C      -9.153504      3.311873      4.668901
  O      -9.641638      2.818550      3.496744
  H      -4.985015      1.483821     -2.188633
  H      -6.203078      0.290661     -2.731318
  H      -4.565728     -0.229702     -2.167739
  H      -6.653796     -0.756939      1.619350
  H      -4.735600     -1.589292      4.493678
  H      -0.755983     -1.058885      4.627169
  H      -0.809027      0.253758      3.466674
  H      -1.852481      0.503470      1.728329
  H      -2.184978      1.368906     -0.273337
  H      -9.167937      9.200719      5.466515
  H      -7.917675     10.132430      4.609616
  H      -9.561560      9.985240      3.906182
  H      -6.803770      8.624420      5.933118
  H      -5.218040      8.027905      7.392440
  H      -2.835761      5.750392      6.783987
  H      -4.076638      5.093518      7.831312
  H      -5.861715      4.321219      3.634118
  H      -8.304905      6.526290      2.288002
  H     -10.977822      5.150409      2.708213
  H     -11.962414      4.116997      3.807028
  H     -12.322061      5.860966      3.609210
  H      -9.293015      5.788479      7.011789
  H      -6.825133      3.754729      8.567527
  H      -5.704011      1.483918      5.034422
  H      -6.206811      0.220897      6.154629
  H      -7.812529      1.662824      4.700517
  H     -10.274016      3.435216      3.088240
  N      -2.372907      2.580704      4.033945
  H      -1.686298      2.128591      3.438774
  H      -3.019027      3.144615      3.481823
95
Coordinates from ORCA-job orca E -6661.019838654393
  N      -1.327888      0.726444      5.495181
  Mo     -2.779408      2.098009      5.932261
  N      -4.271878      0.977586      6.527540
  C      -4.136414      0.033423      7.641493
  C      -2.673463     -0.099879      8.019471
  N      -2.012625      1.226790      7.883838
  C      -0.544091      1.108543      7.745850
  C      -0.228756      0.455512      6.405490
  C      -2.372331      2.150621      8.991280
  C      -2.108536      3.563028      8.512669
  N      -2.641458      3.658944      7.151443
  H       0.736280      0.841262      6.025694
  H      -0.100773     -0.636499      6.517913
  H      -0.127361      2.122453      7.781267
  H      -0.124465      0.533523      8.587710
  H      -2.627402      4.271733      9.177072
  H      -1.037957      3.829031      8.545415
  H      -3.448149      2.036528      9.174828
  H      -1.815460      1.890448      9.907354
  H      -4.514742     -0.957660      7.335644
  H      -4.759787      0.367297      8.489326
  H      -2.189452     -0.777878      7.309272
  H      -2.538855     -0.487679      9.041927
  C      -5.327019      0.514063     -2.083426
  C      -5.908531      0.393403     -0.700267
  O      -7.114676      0.492909     -0.508007
  C      -5.006443      0.130915      0.484477
  C      -5.600197     -0.496754      1.576606
  C      -4.880712     -0.810184      2.733829
  O      -5.524675     -1.432696      3.737195
  C      -3.503148     -0.434795      2.827778
  C      -2.787779     -0.705226      4.070474
  O      -3.303200     -1.409914      4.967428
  C      -1.375931     -0.187132      4.360620
  C      -2.915094      0.207646      1.715094
  C      -3.630262      0.478991      0.557162
  O      -3.048967      1.098876     -0.516060
  C      -8.803777      9.441497      4.503401
  C      -8.401773      8.205339      3.757237
  O      -9.017807      7.870627      2.725303
  C      -7.324928      7.338130      4.278310
  C      -6.600191      7.672346      5.432344
  C      -5.608801      6.839549      5.938061
  O      -4.906917      7.157826      7.062037
  C      -5.333902      5.601128      5.291230
  C      -4.372391      4.634554      5.798279
  O      -4.311713      3.483252      5.270457
  C      -3.447170      4.847993      6.938725
  C      -6.057040      5.265697      4.132054
  C      -7.030428      6.111942      3.606265
  O      -7.681262      5.744388      2.491521
  C     -11.522978      5.101804      3.656130
  C     -10.601253      5.481880      4.789340
  O     -10.684980      6.599579      5.291115
  C      -9.577420      4.511718      5.313828
  C      -8.980511      4.880388      6.526135
  C      -7.992702      4.112382      7.135776
  O      -7.483487      4.522750      8.315680
  C      -7.525566      2.938888      6.470816
  C      -6.348456      2.245036      6.993061
  O      -5.847810      2.565738      8.091323
  C      -5.654482      1.179111      6.138512
  C      -8.136682      2.556805      5.265827
  C      -9.160162      3.303291      4.685735
  O      -9.645275      2.794553      3.519027
  H      -4.927254      1.530195     -2.221849
  H      -6.122835      0.339047     -2.816298
  H      -4.488827     -0.177746     -2.240375
  H      -6.659156     -0.751603      1.522260
  H      -4.811540     -1.574099      4.445744
  H      -0.840461     -1.112185      4.646019
  H      -0.837709      0.194762      3.474339
  H      -1.859814      0.486986      1.741579
  H      -2.125745      1.315372     -0.289075
  H      -9.183991      9.161482      5.498146
  H      -7.949195     10.118466      4.647380
  H      -9.592950      9.957655      3.947363
  H      -6.823804      8.601630      5.960038
  H      -5.239337      8.002626      7.418389
  H      -2.836665      5.756589      6.766766
  H      -4.057041      5.086846      7.831366
  H      -5.858617      4.318639      3.632694
  H      -8.298013      6.529739      2.289864
  H     -10.970162      5.120354      2.699347
  H     -11.973999      4.107651      3.799104
  H     -12.318350      5.851425      3.578401
  H      -9.311642      5.803014      7.002694
  H      -6.829073      3.804459      8.577534
  H      -5.714475      1.467689      5.082886
  H      -6.219912      0.233281      6.234618
  H      -7.815434      1.658672      4.738155
  H     -10.283551      3.401385      3.105471
  N      -2.385106      2.565028      4.038202
  H      -1.695322      2.116175      3.444207
  H      -3.028433      3.132206      3.486338
95
Coordinates from ORCA-job orca E -6661.020138907476
  N      -1.312450      0.709822      5.498345
  Mo     -2.750448      2.096109      5.934142
  N      -4.253023      0.984744      6.528049
  C      -4.130138      0.060155      7.659827
  C      -2.668875     -0.089865      8.036511
  N      -1.991411      1.227689      7.889630
  C      -0.524284      1.089357      7.747086
  C      -0.225970      0.412769      6.415749
  C      -2.334070      2.161317      8.994347
  C      -2.064462      3.568298      8.504061
  N      -2.610590      3.657997      7.148734
  H       0.751819      0.762265      6.033151
  H      -0.132373     -0.681504      6.540898
  H      -0.093444      2.098014      7.764188
  H      -0.108218      0.520336      8.594758
  H      -2.570132      4.285552      9.169538
  H      -0.991217      3.824825      8.523983
  H      -3.408805      2.055763      9.188556
  H      -1.770685      1.901302      9.906387
  H      -4.527222     -0.930637      7.377029
  H      -4.744334      0.421658      8.503151
  H      -2.193896     -0.781195      7.333298
  H      -2.539295     -0.471058      9.062210
  C      -5.479202      0.663307     -1.968619
  C      -6.020515      0.479387     -0.576370
  O      -7.221612      0.558305     -0.346689
  C      -5.083653      0.180447      0.572929
  C      -5.647281     -0.479876      1.661972
  C      -4.899223     -0.820899      2.793023
  O      -5.517407     -1.467359      3.797018
  C      -3.521315     -0.438848      2.863743
  C      -2.777980     -0.723509      4.085491
  O      -3.267358     -1.451832      4.979070
  C      -1.364389     -0.198757      4.357923
  C      -2.963799      0.233798      1.753546
  C      -3.707023      0.530532      0.619719
  O      -3.154454      1.181758     -0.450209
  C      -8.831651      9.386287      4.520765
  C      -8.388630      8.178176      3.752056
  O      -8.976977      7.857283      2.699800
  C      -7.304529      7.320045      4.272856
  C      -6.606576      7.641553      5.446813
  C      -5.609961      6.815074      5.952547
  O      -4.933443      7.122264      7.095038
  C      -5.305478      5.593234      5.286821
  C      -4.342525      4.629277      5.795043
  O      -4.272089      3.481181      5.260670
  C      -3.424327      4.842132      6.941281
  C      -6.002714      5.270297      4.108347
  C      -6.976765      6.114148      3.579925
  O      -7.596533      5.764220      2.442278
  C     -11.473524      5.052841      3.521190
  C     -10.597198      5.436829      4.688684
  O     -10.705627      6.553166      5.188608
  C      -9.571194      4.479432      5.232636
  C      -8.993465      4.860786      6.450243
  C      -8.003649      4.108051      7.075532
  O      -7.514127      4.530697      8.259300
  C      -7.514850      2.936648      6.422104
  C      -6.335835      2.257960      6.959540
  O      -5.846743      2.591270      8.059469
  C      -5.630767      1.185996      6.122922
  C      -8.108684      2.540696      5.212801
  C      -9.133996      3.272020      4.617010
  O      -9.604685      2.748244      3.450935
  H      -5.076718      1.682362     -2.072543
  H      -6.296078      0.523569     -2.685650
  H      -4.650033     -0.025054     -2.180472
  H      -6.707143     -0.734524      1.628875
  H      -4.787506     -1.615913      4.488752
  H      -0.824990     -1.122934      4.637153
  H      -0.834162      0.191168      3.471062
  H      -1.909744      0.518984      1.762378
  H      -2.223463      1.385721     -0.244649
  H      -9.225225      9.072589      5.500204
  H      -7.995119     10.077397      4.699347
  H      -9.620749      9.899832      3.962268
  H      -6.855684      8.555229      5.990061
  H      -5.287884      7.952946      7.463163
  H      -2.820147      5.756414      6.776447
  H      -4.038744      5.069859      7.833465
  H      -5.781196      4.336075      3.594595
  H      -8.218055      6.546596      2.243483
  H     -10.885722      5.066123      2.585429
  H     -11.929744      4.059224      3.651566
  H     -12.265591      5.801859      3.410488
  H      -9.341592      5.781517      6.918183
  H      -6.854909      3.821174      8.533494
  H      -5.676661      1.466510      5.064340
  H      -6.198134      0.241358      6.219132
  H      -7.772282      1.642576      4.694749
  H     -10.249453      3.342346      3.028950
  N      -2.330655      2.571899      4.047391
  H      -1.641329      2.116795      3.457434
  H      -2.965892      3.143939      3.491196
95
Coordinates from ORCA-job orca E -6661.020363829624
  N      -1.306945      0.679805      5.499782
  Mo     -2.726265      2.085027      5.936717
  N      -4.234015      0.987263      6.548338
  C      -4.111572      0.083415      7.696635
  C      -2.648468     -0.079926      8.059657
  N      -1.958151      1.229295      7.893221
  C      -0.493740      1.074299      7.735399
  C      -0.222242      0.368367      6.414924
  C      -2.275928      2.176701      8.994027
  C      -2.004333      3.576179      8.483051
  N      -2.574547      3.654647      7.137287
  H       0.761724      0.683573      6.018599
  H      -0.156744     -0.725879      6.559158
  H      -0.053300      2.079007      7.726198
  H      -0.071941      0.517435      8.588246
  H      -2.490870      4.305262      9.149797
  H      -0.928545      3.822355      8.480238
  H      -3.347488      2.080113      9.209577
  H      -1.697900      1.921539      9.898147
  H      -4.527574     -0.906961      7.439629
  H      -4.709367      0.471248      8.539894
  H      -2.187761     -0.784520      7.360384
  H      -2.513558     -0.452660      9.087873
  C      -5.600579      0.865725     -1.849242
  C      -6.114571      0.633156     -0.454291
  O      -7.309050      0.722328     -0.195080
  C      -5.157717      0.279620      0.663048
  C      -5.711207     -0.397734      1.747207
  C      -4.947450     -0.780693      2.854056
  O      -5.558565     -1.430569      3.859916
  C      -3.560963     -0.427159      2.903700
  C      -2.802138     -0.741774      4.107277
  O      -3.290907     -1.471444      5.000596
  C      -1.377950     -0.239752      4.367567
  C      -3.012608      0.259308      1.797885
  C      -3.773605      0.600108      0.688269
  O      -3.232508      1.273143     -0.373768
  C      -8.846195      9.332520      4.503359
  C      -8.369743      8.144029      3.723993
  O      -8.932325      7.831773      2.655441
  C      -7.287969      7.289277      4.255788
  C      -6.611835      7.605275      5.443932
  C      -5.613283      6.784816      5.956001
  O      -4.954358      7.090299      7.109281
  C      -5.288081      5.571781      5.283598
  C      -4.322475      4.612256      5.794583
  O      -4.245321      3.465314      5.258169
  C      -3.403222      4.830136      6.939174
  C      -5.967099      5.251813      4.093766
  C      -6.938581      6.093091      3.556649
  O      -7.534009      5.750883      2.403880
  C     -11.418653      4.980972      3.382929
  C     -10.583796      5.373647      4.577954
  O     -10.727508      6.484364      5.081345
  C      -9.565725      4.426124      5.153651
  C      -9.006509      4.828516      6.373286
  C      -8.015265      4.095428      7.018937
  O      -7.541041      4.539905      8.201053
  C      -7.506589      2.921380      6.386321
  C      -6.326530      2.262296      6.944508
  O      -5.848360      2.618898      8.042025
  C      -5.609065      1.181488      6.131798
  C      -8.084444      2.502070      5.177093
  C      -9.111866      3.213521      4.561158
  O      -9.570606      2.664595      3.402074
  H      -5.170435      1.876512     -1.917276
  H      -6.437012      0.781153     -2.552130
  H      -4.796686      0.164821     -2.111589
  H      -6.776998     -0.627991      1.732227
  H      -4.818952     -1.600243      4.537202
  H      -0.854774     -1.170885      4.653523
  H      -0.844113      0.134165      3.476892
  H      -1.953663      0.526380      1.793716
  H      -2.291970      1.447356     -0.186211
  H      -9.248996      8.997051      5.471687
  H      -8.025593     10.036269      4.705292
  H      -9.635721      9.840061      3.940041
  H      -6.877862      8.511412      5.991789
  H      -5.325862      7.911434      7.481995
  H      -2.810799      5.752588      6.776078
  H      -4.016794      5.045316      7.834919
  H      -5.730712      4.323399      3.575967
  H      -8.158264      6.530040      2.201620
  H     -10.796171      4.976979      2.469653
  H     -11.887520      3.992401      3.509184
  H     -12.201007      5.733565      3.234021
  H      -9.367859      5.752592      6.824262
  H      -6.875063      3.842997      8.490067
  H      -5.645817      1.445936      5.068644
  H      -6.174938      0.236604      6.235875
  H      -7.735258      1.599137      4.676257
  H     -10.232137      3.236300      2.974916
  N      -2.298562      2.560490      4.051249
  H      -1.611835      2.097951      3.463825
  H      -2.928713      3.135500      3.492324
95
Coordinates from ORCA-job orca E -6661.020695426453
  N      -1.278928      0.710876      5.497939
  Mo     -2.716615      2.097525      5.930028
  N      -4.220505      0.973497      6.499581
  C      -4.101280      0.045337      7.629586
  C      -2.642026     -0.101719      8.015450
  N      -1.969804      1.221144      7.884798
  C      -0.500993      1.091103      7.750147
  C      -0.196599      0.412981      6.420883
  C      -2.323407      2.144666      8.994579
  C      -2.056223      3.555617      8.513928
  N      -2.594771      3.650954      7.156025
  H       0.783209      0.759784      6.040908
  H      -0.104567     -0.681106      6.548736
  H      -0.073760      2.101374      7.766817
  H      -0.085840      0.523793      8.599305
  H      -2.567338      4.267139      9.181314
  H      -0.983708      3.814454      8.542156
  H      -3.398507      2.032179      9.182616
  H      -1.763332      1.880172      9.907280
  H      -4.494998     -0.946186      7.343083
  H      -4.721174      0.403117      8.469851
  H      -2.158500     -0.786226      7.311856
  H      -2.519111     -0.490799      9.039122
  C      -5.718083      0.852145     -1.752806
  C      -6.194373      0.588469     -0.350068
  O      -7.384409      0.645442     -0.062906
  C      -5.203835      0.248910      0.741746
  C      -5.712632     -0.463252      1.825622
  C      -4.913532     -0.839166      2.909764
  O      -5.480918     -1.524446      3.917675
  C      -3.538832     -0.440401      2.936692
  C      -2.744258     -0.752394      4.117157
  O      -3.192217     -1.511443      5.007092
  C      -1.333527     -0.203813      4.360756
  C      -3.036439      0.281675      1.831894
  C      -3.830911      0.614465      0.743738
  O      -3.336570      1.323022     -0.318005
  C      -8.825461      9.358212      4.486480
  C      -8.351215      8.166579      3.710634
  O      -8.913408      7.852370      2.642598
  C      -7.275070      7.308002      4.248066
  C      -6.601344      7.622683      5.437817
  C      -5.607639      6.799011      5.954272
  O      -4.951476      7.104753      7.109201
  C      -5.283759      5.584461      5.283332
  C      -4.323393      4.620656      5.796778
  O      -4.239809      3.478116      5.252350
  C      -3.417029      4.829808      6.953473
  C      -5.960019      5.266239      4.091539
  C      -6.928478      6.109387      3.551879
  O      -7.524556      5.766624      2.399408
  C     -11.390658      5.013585      3.355538
  C     -10.549833      5.392778      4.550731
  O     -10.695857      6.494561      5.072931
  C      -9.537507      4.433768      5.116632
  C      -8.998929      4.804371      6.355524
  C      -8.017953      4.054742      6.997806
  O      -7.563545      4.467473      8.199163
  C      -7.497990      2.898111      6.342914
  C      -6.326270      2.226342      6.903094
  O      -5.867606      2.554886      8.017462
  C      -5.593600      1.167572      6.074854
  C      -8.054592      2.511270      5.113106
  C      -9.071496      3.239038      4.498767
  O      -9.507547      2.724209      3.315516
  H      -5.333647      1.881482     -1.820341
  H      -6.564446      0.739190     -2.439683
  H      -4.890545      0.188968     -2.037984
  H      -6.770592     -0.727510      1.828911
  H      -4.721532     -1.680146      4.576295
  H      -0.777883     -1.119215      4.634198
  H      -0.825332      0.190810      3.464740
  H      -1.987106      0.583664      1.811324
  H      -2.398677      1.526638     -0.148408
  H      -9.233416      9.025197      5.453463
  H      -8.003021     10.059034      4.690977
  H      -9.610801      9.868078      3.919407
  H      -6.865445      8.530586      5.983758
  H      -5.321477      7.927985      7.478894
  H      -2.820356      5.751572      6.801340
  H      -4.040518      5.043432      7.842519
  H      -5.725723      4.336392      3.575267
  H      -8.148214      6.546176      2.196621
  H     -10.777062      5.044317      2.436628
  H     -11.839346      4.013477      3.460318
  H     -12.186857      5.756286      3.232191
  H      -9.368634      5.715768      6.825104
  H      -6.903012      3.762764      8.480841
  H      -5.622356      1.453130      5.017010
  H      -6.153862      0.216952      6.154870
  H      -7.695651      1.622594      4.594080
  H     -10.153881      3.312199      2.887135
  N      -2.277435      2.594394      4.053264
  H      -1.579108      2.145248      3.469038
  H      -2.908599      3.167644      3.493699
95
Coordinates from ORCA-job orca E -6661.021064227010
  N      -1.239437      0.726401      5.499088
  Mo     -2.698981      2.092706      5.919835
  N      -4.198817      0.944920      6.447661
  C      -4.082934     -0.009082      7.557157
  C      -2.629152     -0.135469      7.971924
  N      -1.976293      1.200165      7.874113
  C      -0.503858      1.093380      7.768922
  C      -0.159253      0.450371      6.430812
  C      -2.366024      2.101819      8.989809
  C      -2.112735      3.525238      8.537139
  N      -2.614108      3.633281      7.165687
  H       0.812321      0.839617      6.071693
  H      -0.031134     -0.641892      6.540922
  H      -0.090934      2.108190      7.824926
  H      -0.101034      0.508592      8.612147
  H      -2.659834      4.214258      9.199368
  H      -1.047490      3.807355      8.601611
  H      -3.442505      1.969561      9.156189
  H      -1.820009      1.832399      9.909549
  H      -4.448915     -1.000378      7.235449
  H      -4.726665      0.317715      8.391287
  H      -2.121193     -0.803362      7.269671
  H      -2.520889     -0.534911      8.993206
  C      -5.905719      0.981999     -1.546610
  C      -6.319104      0.703323     -0.126864
  O      -7.490983      0.783962      0.222417
  C      -5.281844      0.322926      0.905355
  C      -5.736329     -0.439875      1.978989
  C      -4.885304     -0.852490      3.009422
  O      -5.403077     -1.577877      4.016349
  C      -3.514499     -0.440905      2.991037
  C      -2.673354     -0.774111      4.130237
  O      -3.071506     -1.575477      5.007219
  C      -1.275511     -0.187669      4.360638
  C      -3.066065      0.327756      1.895182
  C      -3.913696      0.701382      0.861590
  O      -3.478206      1.469141     -0.184423
  C      -8.804377      9.348035      4.409133
  C      -8.321545      8.154603      3.641526
  O      -8.872982      7.837119      2.568994
  C      -7.254218      7.294778      4.195045
  C      -6.589820      7.614416      5.388697
  C      -5.601856      6.791808      5.918307
  O      -4.953065      7.104945      7.075518
  C      -5.274848      5.572949      5.256790
  C      -4.318913      4.609810      5.780265
  O      -4.228028      3.468921      5.234819
  C      -3.426674      4.816487      6.949118
  C      -5.942841      5.249012      4.061886
  C      -6.905633      6.090414      3.509571
  O      -7.493815      5.741092      2.355035
  C     -11.346812      5.017185      3.296573
  C     -10.500624      5.386478      4.491120
  O     -10.636052      6.488348      5.016082
  C      -9.502951      4.414046      5.059352
  C      -8.978752      4.766404      6.309921
  C      -8.008741      4.004244      6.954013
  O      -7.568601      4.395063      8.168188
  C      -7.482017      2.857921      6.287693
  C      -6.317870      2.178285      6.852660
  O      -5.877978      2.486659      7.980267
  C      -5.569789      1.138584      6.013952
  C      -8.023390      2.489402      5.045667
  C      -9.032529      3.226961      4.430332
  O      -9.455476      2.729743      3.235027
  H      -5.519826      2.010580     -1.617636
  H      -6.783000      0.883149     -2.195878
  H      -5.095653      0.318643     -1.877470
  H      -6.790814     -0.714554      2.019444
  H      -4.612887     -1.755514      4.632503
  H      -0.687827     -1.086331      4.621077
  H      -0.788899      0.226749      3.462044
  H      -2.021045      0.642253      1.842251
  H      -2.539159      1.685624     -0.041237
  H      -9.227821      9.016219      5.369808
  H      -7.983857     10.047409      4.625861
  H      -9.580022      9.859081      3.829888
  H      -6.855099      8.526991      5.926268
  H      -5.324249      7.931458      7.436599
  H      -2.823039      5.734734      6.801348
  H      -4.060309      5.037419      7.828993
  H      -5.706477      4.315529      3.553105
  H      -8.114143      6.521089      2.142070
  H     -10.735319      5.058292      2.376130
  H     -11.794059      4.015670      3.391891
  H     -12.142850      5.761542      3.182109
  H      -9.350875      5.672838      6.787175
  H      -6.917839      3.680771      8.447954
  H      -5.591090      1.441699      4.960595
  H      -6.123284      0.182441      6.070953
  H      -7.658620      1.608000      4.518383
  H     -10.097773      3.323163      2.808113
  N      -2.250640      2.600738      4.049340
  H      -1.543007      2.158159      3.471264
  H      -2.885140      3.165097      3.484481
95
Coordinates from ORCA-job orca E -6661.021330419790
  N      -1.227256      0.723912      5.494329
  Mo     -2.675507      2.099785      5.919796
  N      -4.182338      0.957216      6.444218
  C      -4.071433      0.005690      7.555940
  C      -2.617300     -0.133086      7.964505
  N      -1.955778      1.199038      7.870109
  C      -0.483801      1.085209      7.760232
  C      -0.149634      0.433177      6.424693
  C      -2.335635      2.099984      8.990119
  C      -2.077488      3.522762      8.537381
  N      -2.588787      3.635144      7.169907
  H       0.827645      0.804707      6.062357
  H      -0.038676     -0.660710      6.538517
  H      -0.066947      2.098848      7.807504
  H      -0.079525      0.503583      8.604887
  H      -2.614667      4.214307      9.204934
  H      -1.009934      3.797273      8.593981
  H      -3.411517      1.971973      9.163736
  H      -1.784903      1.825980      9.905624
  H      -4.448713     -0.983139      7.238942
  H      -4.708376      0.340334      8.392269
  H      -2.117022     -0.801431      7.257551
  H      -2.508037     -0.538328      8.983445
  C      -6.033403      1.051300     -1.441013
  C      -6.413086      0.732624     -0.020523
  O      -7.578565      0.789719      0.354349
  C      -5.350302      0.340972      0.981486
  C      -5.778284     -0.435981      2.056054
  C      -4.904599     -0.855377      3.064397
  O      -5.399505     -1.588042      4.077591
  C      -3.535611     -0.438540      3.020170
  C      -2.670847     -0.775251      4.139828
  O      -3.052057     -1.577486      5.023955
  C      -1.271677     -0.183871      4.350573
  C      -3.113164      0.341482      1.922193
  C      -3.984670      0.723951      0.911709
  O      -3.574862      1.506248     -0.133679
  C      -8.811431      9.330796      4.436864
  C      -8.298985      8.161124      3.651902
  O      -8.825029      7.862460      2.561564
  C      -7.236846      7.297357      4.210209
  C      -6.601502      7.596064      5.424911
  C      -5.615071      6.772693      5.956322
  O      -4.995081      7.066039      7.134270
  C      -5.261164      5.572733      5.274599
  C      -4.302173      4.610398      5.793571
  O      -4.199704      3.476829      5.234665
  C      -3.416387      4.810857      6.968391
  C      -5.904154      5.266386      4.061527
  C      -6.862584      6.111016      3.506494
  O      -7.420786      5.782224      2.331332
  C     -11.290436      4.974899      3.161296
  C     -10.487837      5.344918      4.385613
  O     -10.654291      6.440628      4.914317
  C      -9.495156      4.380911      4.976924
  C      -8.990232      4.746366      6.231832
  C      -8.020096      3.999146      6.892700
  O      -7.597004      4.404019      8.108580
  C      -7.474140      2.853681      6.241038
  C      -6.309344      2.189494      6.822251
  O      -5.880127      2.512043      7.950009
  C      -5.548666      1.149074      5.997428
  C      -7.997969      2.470297      4.995982
  C      -9.007291      3.192857      4.363398
  O      -9.415551      2.679380      3.170067
  H      -5.649505      2.081789     -1.492894
  H      -6.925268      0.968811     -2.072376
  H      -5.230736      0.398493     -1.808968
  H      -6.830938     -0.713731      2.117539
  H      -4.597893     -1.759725      4.681349
  H      -0.680036     -1.082812      4.599905
  H      -0.795234      0.236048      3.449784
  H      -2.070399      0.659602      1.849878
  H      -2.633088      1.721807     -0.009049
  H      -9.248296      8.971574      5.381464
  H      -8.004938     10.036006      4.685020
  H      -9.582832      9.844782      3.854560
  H      -6.888432      8.492958      5.977606
  H      -5.385396      7.878416      7.507001
  H      -2.824665      5.739214      6.835784
  H      -4.055431      5.009494      7.849537
  H      -5.648948      4.345779      3.538512
  H      -8.043836      6.560760      2.121146
  H     -10.644065      5.006570      2.264441
  H     -11.748444      3.976935      3.244878
  H     -12.077181      5.723268      3.013717
  H      -9.376016      5.652976      6.697742
  H      -6.944621      3.697704      8.403039
  H      -5.558329      1.448586      4.942853
  H      -6.101475      0.192169      6.050227
  H      -7.620105      1.587398      4.480586
  H     -10.069198      3.256229      2.737562
  N      -2.210294      2.624491      4.057315
  H      -1.502616      2.181519      3.479331
  H      -2.836376      3.199832      3.494065
95
Coordinates from ORCA-job orca E -6661.021592929602
  N      -1.219156      0.708731      5.492710
  Mo     -2.654014      2.097638      5.918364
  N      -4.168257      0.963141      6.444854
  C      -4.064461      0.021037      7.564392
  C      -2.610441     -0.130146      7.968207
  N      -1.937398      1.195964      7.868504
  C      -0.466263      1.071569      7.752664
  C      -0.143362      0.406390      6.421277
  C      -2.305582      2.102491      8.988458
  C      -2.042122      3.522483      8.529089
  N      -2.564994      3.633187      7.165655
  H       0.838771      0.759668      6.054319
  H      -0.049443     -0.688442      6.542128
  H      -0.045141      2.083835      7.788398
  H      -0.060728      0.495752      8.600651
  H      -2.568228      4.220052      9.198999
  H      -0.972254      3.789247      8.574587
  H      -3.380974      1.981044      9.170275
  H      -1.750604      1.827998      9.901208
  H      -4.454236     -0.966098      7.257438
  H      -4.694539      0.369329      8.400694
  H      -2.119452     -0.804111      7.260397
  H      -2.500945     -0.534716      8.987367
  C      -6.100731      1.149661     -1.365533
  C      -6.469604      0.797850      0.049799
  O      -7.634169      0.832463      0.430603
  C      -5.398672      0.390457      1.037003
  C      -5.819319     -0.399565      2.104971
  C      -4.938853     -0.833435      3.101180
  O      -5.427411     -1.579917      4.107207
  C      -3.568594     -0.419988      3.050293
  C      -2.694041     -0.771358      4.158299
  O      -3.072119     -1.571982      5.045748
  C      -1.283305     -0.201482      4.351678
  C      -3.152719      0.370490      1.957125
  C      -4.032106      0.768363      0.959376
  O      -3.625758      1.556111     -0.082886
  C      -8.816391      9.302324      4.434191
  C      -8.289590      8.141318      3.645681
  O      -8.801468      7.849705      2.546819
  C      -7.228966      7.278215      4.208249
  C      -6.615270      7.564821      5.436945
  C      -5.628764      6.743323      5.971362
  O      -5.034428      7.020748      7.165950
  C      -5.250674      5.559165      5.276276
  C      -4.285205      4.602278      5.792925
  O      -4.172007      3.473395      5.226529
  C      -3.405468      4.801890      6.972364
  C      -5.874798      5.262352      4.051071
  C      -6.834058      6.104602      3.494045
  O      -7.372914      5.784776      2.307466
  C     -11.268451      4.924903      3.084119
  C     -10.492388      5.301550      4.323602
  O     -10.675905      6.397665      4.845504
  C      -9.492534      4.352215      4.927179
  C      -8.990439      4.738083      6.177235
  C      -8.012916      4.009082      6.847093
  O      -7.589593      4.437103      8.055250
  C      -7.459763      2.857871      6.212356
  C      -6.290734      2.208487      6.802234
  O      -5.859403      2.550872      7.923297
  C      -5.530623      1.158452      5.990932
  C      -7.980540      2.453483      4.972651
  C      -8.994702      3.159861      4.329536
  O      -9.397263      2.627429      3.143014
  H      -5.711436      2.178780     -1.396319
  H      -6.997981      1.085552     -1.991313
  H      -5.304460      0.501620     -1.755552
  H      -6.871916     -0.676606      2.171118
  H      -4.623280     -1.754918      4.706906
  H      -0.703267     -1.109008      4.597030
  H      -0.807496      0.210435      3.447092
  H      -2.108844      0.682458      1.877450
  H      -2.681839      1.764781      0.037537
  H      -9.264150      8.933074      5.369746
  H      -8.016436     10.008785      4.699153
  H      -9.582321      9.818283      3.846433
  H      -6.921322      8.449065      5.999649
  H      -5.441005      7.821566      7.545998
  H      -2.824022      5.738116      6.850318
  H      -4.049501      4.983797      7.853397
  H      -5.603107      4.351427      3.519551
  H      -8.002504      6.558070      2.098602
  H     -10.599976      4.936662      2.203112
  H     -11.741330      3.933767      3.170346
  H     -12.043660      5.679128      2.908503
  H      -9.383107      5.648025      6.630743
  H      -6.933368      3.740207      8.361708
  H      -5.532918      1.450605      4.934249
  H      -6.088466      0.204572      6.046151
  H      -7.596370      1.566254      4.469410
  H     -10.059827      3.190701      2.706180
  N      -2.167440      2.632526      4.063516
  H      -1.453981      2.192616      3.489939
  H      -2.778076      3.225588      3.501651
95
Coordinates from ORCA-job orca E -6661.021831207961
  N      -1.204539      0.702893      5.491192
  Mo     -2.630381      2.101145      5.915040
  N      -4.154470      0.971767      6.429143
  C      -4.065055      0.036392      7.554950
  C      -2.614286     -0.128652      7.963261
  N      -1.928577      1.191361      7.866168
  C      -0.458013      1.054839      7.753207
  C      -0.138560      0.382990      6.424904
  C      -2.291117      2.099535      8.987140
  C      -2.020973      3.518491      8.528324
  N      -2.547316      3.631993      7.166647
  H       0.851174      0.719047      6.062470
  H      -0.063685     -0.713187      6.547495
  H      -0.030459      2.064547      7.785283
  H      -0.057798      0.479588      8.604076
  H      -2.541189      4.218817      9.199812
  H      -0.949534      3.778990      8.570327
  H      -3.366980      1.983721      9.170047
  H      -1.737258      1.821262      9.899399
  H      -4.465453     -0.948055      7.253264
  H      -4.693542      0.396858      8.387545
  H      -2.128596     -0.806956      7.255997
  H      -2.511471     -0.534708      8.982483
  C      -6.192882      1.221938     -1.269217
  C      -6.539199      0.816366      0.137342
  O      -7.700630      0.810679      0.529272
  C      -5.449302      0.406898      1.103081
  C      -5.844365     -0.410536      2.160225
  C      -4.945451     -0.849479      3.137548
  O      -5.410356     -1.623950      4.133461
  C      -3.581849     -0.414267      3.078143
  C      -2.687328     -0.775132      4.166766
  O      -3.043676     -1.592990      5.048070
  C      -1.275747     -0.201548      4.345713
  C      -3.191516      0.402744      1.995143
  C      -4.089321      0.806606      1.016277
  O      -3.705344      1.617804     -0.016407
  C      -8.819152      9.280905      4.439700
  C      -8.275290      8.132797      3.643661
  O      -8.772663      7.850782      2.535723
  C      -7.214162      7.271051      4.207407
  C      -6.623473      7.541764      5.450880
  C      -5.637123      6.720915      5.986609
  O      -5.069820      6.978275      7.198455
  C      -5.233447      5.555320      5.275568
  C      -4.264666      4.601272      5.790875
  O      -4.137515      3.479263      5.213450
  C      -3.397841      4.794932      6.980585
  C      -5.835512      5.273120      4.035949
  C      -6.795870      6.114185      3.479053
  O      -7.312962      5.808870      2.279149
  C     -11.252198      4.891349      3.011692
  C     -10.494460      5.273281      4.260902
  O     -10.701736      6.363218      4.786601
  C      -9.487929      4.335608      4.872127
  C      -8.987015      4.736734      6.117918
  C      -8.004139      4.020988      6.793880
  O      -7.580996      4.465522      7.996357
  C      -7.446188      2.865439      6.171404
  C      -6.274090      2.226509      6.767088
  O      -5.840102      2.584309      7.882312
  C      -5.511800      1.172375      5.964283
  C      -7.966078      2.445025      4.936666
  C      -8.984460      3.139263      4.286794
  O      -9.386210      2.590752      3.107747
  H      -5.816490      2.256182     -1.269955
  H      -7.096665      1.166276     -1.886292
  H      -5.393288      0.597683     -1.690284
  H      -6.891651     -0.705439      2.233537
  H      -4.597851     -1.791962      4.724665
  H      -0.691586     -1.108975      4.581026
  H      -0.807987      0.216607      3.439684
  H      -2.153079      0.729859      1.907569
  H      -2.762998      1.837070      0.098403
  H      -9.276463      8.897605      5.364953
  H      -8.027256      9.989087      4.723463
  H      -9.580872      9.799302      3.848603
  H      -6.949869      8.410924      6.025500
  H      -5.493979      7.765195      7.588062
  H      -2.824928      5.738421      6.875398
  H      -4.051432      4.958268      7.858125
  H      -5.545433      4.374691      3.493050
  H      -7.948651      6.577904      2.074057
  H     -10.570547      4.893890      2.140890
  H     -11.730941      3.902795      3.098493
  H     -12.022823      5.646263      2.819891
  H      -9.384827      5.648823      6.562601
  H      -6.925059      3.773377      8.313100
  H      -5.504277      1.462976      4.907100
  H      -6.074056      0.220938      6.015467
  H      -7.579007      1.553585      4.443045
  H     -10.057247      3.142280      2.668879
  N      -2.114017      2.650389      4.072040
  H      -1.396668      2.209743      3.503784
  H      -2.707997      3.260213      3.510396
95
Coordinates from ORCA-job orca E -6661.022136329068
  N      -1.147650      0.729881      5.474388
  Mo     -2.582474      2.119845      5.890892
  N      -4.109914      0.962090      6.332530
  C      -4.042590      0.013171      7.449522
  C      -2.601656     -0.151413      7.891084
  N      -1.923898      1.176070      7.839831
  C      -0.449950      1.053882      7.756212
  C      -0.101766      0.396964      6.427311
  C      -2.319888      2.056326      8.971635
  C      -2.049401      3.485637      8.547527
  N      -2.548932      3.621911      7.178025
  H       0.895610      0.734868      6.088396
  H      -0.030432     -0.700290      6.540001
  H      -0.030546      2.066507      7.803686
  H      -0.061003      0.473304      8.608603
  H      -2.586034      4.169918      9.222618
  H      -0.980324      3.749774      8.616352
  H      -3.398854      1.928524      9.125570
  H      -1.785486      1.762023      9.890356
  H      -4.432792     -0.969787      7.129111
  H      -4.692800      0.360813      8.270593
  H      -2.093764     -0.811777      7.182988
  H      -2.522373     -0.578728      8.903766
  C      -6.489377      1.353951     -0.921500
  C      -6.741489      0.822381      0.462592
  O      -7.880514      0.715607      0.902969
  C      -5.584379      0.415391      1.348486
  C      -5.886442     -0.476263      2.376476
  C      -4.919447     -0.923364      3.282390
  O      -5.294927     -1.767389      4.258581
  C      -3.581510     -0.421361      3.178428
  C      -2.613456     -0.800995      4.194348
  O      -2.890723     -1.673604      5.051512
  C      -1.217316     -0.176408      4.329010
  C      -3.285993      0.471692      2.126044
  C      -4.250961      0.885753      1.218101
  O      -3.960907      1.773743      0.218566
  C      -8.812082      9.264284      4.418022
  C      -8.228946      8.145864      3.607419
  O      -8.691923      7.885561      2.479728
  C      -7.178265      7.278223      4.182590
  C      -6.634541      7.517544      5.453473
  C      -5.655735      6.693698      5.998413
  O      -5.136400      6.920682      7.237561
  C      -5.209918      5.557183      5.265412
  C      -4.243988      4.601306      5.782847
  O      -4.081882      3.498424      5.177376
  C      -3.414182      4.774963      7.001578
  C      -5.766760      5.304283      3.998721
  C      -6.720590      6.148528      3.435235
  O      -7.192741      5.872842      2.209850
  C     -11.165679      4.896472      2.845309
  C     -10.442880      5.256939      4.121554
  O     -10.674145      6.331992      4.667499
  C      -9.443321      4.313471      4.735137
  C      -8.968067      4.694049      5.997409
  C      -7.991496      3.973333      6.676576
  O      -7.588908      4.401124      7.892488
  C      -7.413839      2.833964      6.042915
  C      -6.247184      2.194467      6.648120
  O      -5.841574      2.531828      7.780196
  C      -5.456910      1.166701      5.839340
  C      -7.909045      2.432793      4.791790
  C      -8.921519      3.131819      4.137228
  O      -9.301602      2.601236      2.943404
  H      -6.178060      2.407997     -0.857612
  H      -7.417427      1.287708     -1.500293
  H      -5.674686      0.817767     -1.426240
  H      -6.914361     -0.823342      2.485706
  H      -4.446171     -1.920241      4.801795
  H      -0.597744     -1.063137      4.547523
  H      -0.792968      0.256688      3.410221
  H      -2.269855      0.853809      2.008695
  H      -3.023974      2.028857      0.295062
  H      -9.291508      8.849099      5.317948
  H      -8.039615      9.975009      4.745447
  H      -9.563043      9.788646      3.818472
  H      -6.993245      8.363771      6.042908
  H      -5.590690      7.685009      7.638123
  H      -2.856274      5.731332      6.938106
  H      -4.094101      4.901584      7.864746
  H      -5.446350      4.426328      3.439427
  H      -7.836144      6.636191      2.008355
  H     -10.460702      4.915789      1.993463
  H     -11.643549      3.905235      2.900788
  H     -11.932898      5.653232      2.647222
  H      -9.380153      5.594733      6.452178
  H      -6.935351      3.707853      8.209205
  H      -5.423405      1.483448      4.790084
  H      -6.013503      0.210326      5.851922
  H      -7.509124      1.551906      4.289591
  H      -9.972317      3.152912      2.504171
  N      -2.009577      2.723462      4.082106
  H      -1.270860      2.299874      3.528193
  H      -2.583749      3.351540      3.520175
95
Coordinates from ORCA-job orca E -6661.022914383841
  N      -1.122157      0.753167      5.471341
  Mo     -2.561014      2.139797      5.880364
  N      -4.093351      0.967001      6.270279
  C      -4.049358      0.014707      7.385305
  C      -2.617750     -0.156600      7.851955
  N      -1.939160      1.171296      7.829390
  C      -0.464034      1.051644      7.767418
  C      -0.095842      0.402895      6.439709
  C      -2.357078      2.036397      8.965233
  C      -2.078514      3.470408      8.563997
  N      -2.558867      3.622091      7.189289
  H       0.909525      0.736375      6.121200
  H      -0.033977     -0.695583      6.543735
  H      -0.047538      2.065018      7.822506
  H      -0.085739      0.468984      8.623097
  H      -2.622056      4.148325      9.239880
  H      -1.009863      3.730703      8.649976
  H      -3.439223      1.907427      9.094084
  H      -1.841844      1.729650      9.890776
  H      -4.437829     -0.966170      7.056774
  H      -4.714222      0.360813      8.195446
  H      -2.097651     -0.807804      7.144571
  H      -2.557642     -0.596940      8.860293
  C      -6.581316      1.305874     -0.825078
  C      -6.799895      0.691336      0.529996
  O      -7.930289      0.467731      0.948194
  C      -5.621630      0.336941      1.411218
  C      -5.871273     -0.595994      2.416598
  C      -4.879969     -1.010320      3.311606
  O      -5.203429     -1.905506      4.259893
  C      -3.571014     -0.433724      3.218892
  C      -2.569357     -0.804662      4.206409
  O      -2.794465     -1.710556      5.044349
  C      -1.187831     -0.142587      4.317943
  C      -3.329409      0.503326      2.190838
  C      -4.317477      0.886550      1.294488
  O      -4.075546      1.809390      0.314025
  C      -8.789827      9.287612      4.423826
  C      -8.221281      8.160870      3.614321
  O      -8.697407      7.896697      2.492843
  C      -7.167679      7.292584      4.183441
  C      -6.627935      7.524527      5.457365
  C      -5.650472      6.698103      6.000549
  O      -5.141294      6.912131      7.245930
  C      -5.195558      5.571296      5.259183
  C      -4.229869      4.614731      5.775584
  O      -4.047700      3.523089      5.154796
  C      -3.425828      4.774029      7.013057
  C      -5.745289      5.327308      3.987668
  C      -6.704314      6.169113      3.429348
  O      -7.175963      5.895424      2.203264
  C     -11.168204      4.939418      2.834275
  C     -10.448090      5.279386      4.117541
  O     -10.692349      6.338802      4.687637
  C      -9.432779      4.336880      4.706831
  C      -8.966194      4.691057      5.979882
  C      -7.985270      3.963699      6.645349
  O      -7.590341      4.369399      7.871397
  C      -7.397102      2.842078      5.989418
  C      -6.229862      2.195178      6.587238
  O      -5.828348      2.514285      7.726068
  C      -5.433356      1.183875      5.764463
  C      -7.882290      2.467913      4.726025
  C      -8.894814      3.176600      4.081602
  O      -9.257063      2.677365      2.869535
  H      -6.354868      2.377028     -0.709637
  H      -7.497478      1.193657     -1.415640
  H      -5.723678      0.860027     -1.346262
  H      -6.877087     -1.005736      2.514141
  H      -4.346881     -2.023537      4.799388
  H      -0.541317     -1.014258      4.516990
  H      -0.793913      0.309320      3.394781
  H      -2.335427      0.940043      2.079527
  H      -3.152451      2.110202      0.394976
  H      -9.269448      8.879892      5.327118
  H      -8.009359      9.991867      4.745873
  H      -9.538577      9.817104      3.825974
  H      -6.993159      8.363437      6.053183
  H      -5.601632      7.669895      7.651889
  H      -2.872155      5.734123      6.975893
  H      -4.123901      4.882902      7.864083
  H      -5.419313      4.454983      3.422928
  H      -7.828951      6.651887      2.007843
  H     -10.466252      4.988785      1.981467
  H     -11.631804      3.940464      2.867885
  H     -11.946956      5.689300      2.656226
  H      -9.389817      5.575672      6.455182
  H      -6.933829      3.674815      8.177517
  H      -5.386332      1.523136      4.722771
  H      -5.991839      0.228510      5.750347
  H      -7.473013      1.602730      4.204302
  H      -9.914625      3.244854      2.430945
  N      -1.936473      2.781264      4.101570
  H      -1.179523      2.372471      3.561163
  H      -2.485271      3.435919      3.544829
95
Coordinates from ORCA-job orca E -6661.023664334488
  N      -1.088321      0.785498      5.458216
  Mo     -2.529990      2.167547      5.867344
  N      -4.067717      0.978588      6.196642
  C      -4.050968      0.022177      7.309091
  C      -2.630061     -0.161925      7.799794
  N      -1.947424      1.164248      7.810969
  C      -0.471879      1.042950      7.769320
  C      -0.086488      0.405258      6.441536
  C      -2.382778      2.009844      8.955414
  C      -2.097702      3.449823      8.581936
  N      -2.563556      3.622170      7.204773
  H       0.929441      0.727820      6.146800
  H      -0.042504     -0.695088      6.531571
  H      -0.055877      2.055961      7.834296
  H      -0.104885      0.455057      8.626275
  H      -2.645876      4.118921      9.262644
  H      -1.029344      3.705482      8.682196
  H      -3.467055      1.879642      9.063749
  H      -1.882845      1.686659      9.883678
  H      -4.442107     -0.954652      6.972073
  H      -4.728381      0.369577      8.108305
  H      -2.100025     -0.803799      7.091564
  H      -2.590235     -0.618678      8.801733
  C      -6.776475      1.281415     -0.614733
  C      -6.912521      0.534457      0.683275
  O      -8.008207      0.152278      1.078650
  C      -5.696116      0.239852      1.534743
  C      -5.854263     -0.758871      2.494802
  C      -4.820357     -1.135480      3.356990
  O      -5.058877     -2.095725      4.265851
  C      -3.559230     -0.458316      3.272887
  C      -2.505140     -0.812722      4.211236
  O      -2.649653     -1.762176      5.018781
  C      -1.150236     -0.092302      4.291383
  C      -3.410360      0.546402      2.292038
  C      -4.442205      0.899187      1.433077
  O      -4.287263      1.888470      0.500921
  C      -8.774728      9.303441      4.435478
  C      -8.195656      8.186935      3.619061
  O      -8.663047      7.931044      2.491985
  C      -7.142681      7.317401      4.187384
  C      -6.625873      7.528377      5.474350
  C      -5.652709      6.697641      6.018559
  O      -5.169436      6.887414      7.277910
  C      -5.175203      5.590680      5.262290
  C      -4.211236      4.631811      5.777215
  O      -4.001646      3.557565      5.133898
  C      -3.439369      4.768851      7.037259
  C      -5.700201      5.368565      3.976379
  C      -6.658036      6.212466      3.419344
  O      -7.107768      5.958258      2.180754
  C     -11.118866      4.992229      2.741488
  C     -10.430835      5.296834      4.050964
  O     -10.704151      6.331677      4.651950
  C      -9.410157      4.351611      4.627413
  C      -8.969021      4.674449      5.917696
  C      -7.989691      3.941020      6.578287
  O      -7.620137      4.318780      7.821201
  C      -7.377904      2.843760      5.902327
  C      -6.212605      2.193844      6.501783
  O      -5.829187      2.491224      7.652750
  C      -5.398229      1.204164      5.670462
  C      -7.838124      2.499435      4.621209
  C      -8.846669      3.216282      3.978611
  O      -9.180085      2.748643      2.746612
  H      -6.661634      2.356849     -0.408678
  H      -7.683678      1.124187     -1.208834
  H      -5.884099      0.974983     -1.176408
  H      -6.822802     -1.252047      2.583116
  H      -4.187522     -2.170575      4.789340
  H      -0.462297     -0.938511      4.457160
  H      -0.804249      0.389118      3.364252
  H      -2.456016      1.065290      2.191012
  H      -3.386652      2.251073      0.584680
  H      -9.262402      8.884465      5.329324
  H      -7.999474     10.006027      4.773207
  H      -9.518981      9.837636      3.836145
  H      -7.009234      8.351240      6.080996
  H      -5.646390      7.629791      7.692938
  H      -2.896937      5.735915      7.038393
  H      -4.159198      4.846698      7.873506
  H      -5.357080      4.510672      3.399875
  H      -7.766857      6.710197      1.990599
  H     -10.398401      5.070682      1.906746
  H     -11.577516      3.990308      2.735374
  H     -11.898768      5.742146      2.569008
  H      -9.412502      5.539004      6.411477
  H      -6.964425      3.622036      8.122539
  H      -5.331900      1.566732      4.637725
  H      -5.954317      0.248139      5.624100
  H      -7.412411      1.652256      4.082948
  H      -9.835850      3.320464      2.311334
  N      -1.847861      2.860509      4.128827
  H      -1.074832      2.465148      3.600938
  H      -2.364873      3.551229      3.585599
95
Coordinates from ORCA-job orca E -6661.024353999833
  N      -1.055092      0.817768      5.443512
  Mo     -2.500184      2.194677      5.852787
  N      -4.041399      0.989795      6.118836
  C      -4.051788      0.026593      7.225924
  C      -2.642388     -0.169374      7.741868
  N      -1.958017      1.155304      7.788942
  C      -0.482180      1.033387      7.768827
  C      -0.078176      0.408323      6.440857
  C      -2.413094      1.979641      8.941623
  C      -2.122820      3.425832      8.598102
  N      -2.571597      3.619958      7.218265
  H       0.947275      0.721251      6.170360
  H      -0.050320     -0.693433      6.515675
  H      -0.067395      2.046120      7.845403
  H      -0.126967      0.439378      8.626459
  H      -2.677857      4.084631      9.283097
  H      -1.055424      3.677855      8.714906
  H      -3.499147      1.847503      9.027934
  H      -1.929332      1.639433      9.872287
  H      -4.443695     -0.945900      6.877574
  H      -4.742850      0.372763      8.013938
  H      -2.100531     -0.800680      7.033407
  H      -2.623405     -0.643209      8.736357
  C      -6.978888      1.264561     -0.370229
  C      -7.014148      0.385100      0.848854
  O      -8.056768     -0.152191      1.205653
  C      -5.763604      0.145845      1.668205
  C      -5.823674     -0.918333      2.567490
  C      -4.749489     -1.259860      3.393678
  O      -4.898105     -2.283778      4.250547
  C      -3.543614     -0.485928      3.328010
  C      -2.437678     -0.822341      4.212394
  O      -2.499826     -1.811564      4.982413
  C      -1.113390     -0.043055      4.264077
  C      -3.494065      0.585652      2.409761
  C      -4.569131      0.911155      1.593909
  O      -4.508788      1.967675      0.726871
  C      -8.759977      9.317720      4.438750
  C      -8.170705      8.210489      3.616894
  O      -8.629679      7.961824      2.484700
  C      -7.118065      7.340479      4.185170
  C      -6.623132      7.532624      5.483617
  C      -5.654073      6.698341      6.029696
  O      -5.195185      6.866428      7.301020
  C      -5.155052      5.609707      5.261350
  C      -4.193483      4.648458      5.775890
  O      -3.956603      3.592037      5.111787
  C      -3.454733      4.762214      7.057694
  C      -5.656053      5.407700      3.962571
  C      -6.612771      6.252833      3.405703
  O      -7.041491      6.015854      2.156152
  C     -11.070415      5.048427      2.651868
  C     -10.411594      5.316965      3.984039
  O     -10.712053      6.326445      4.614335
  C      -9.386067      4.368417      4.547041
  C      -8.970136      4.657500      5.853508
  C      -7.992783      3.916697      6.508261
  O      -7.648771      4.263649      7.767491
  C      -7.357725      2.845305      5.811965
  C      -6.195075      2.190936      6.412755
  O      -5.830805      2.464373      7.575856
  C      -5.361910      1.224754      5.572473
  C      -7.793066      2.533403      4.513935
  C      -8.797611      3.259520      3.874598
  O      -9.102798      2.826147      2.623519
  H      -6.974126      2.321118     -0.060144
  H      -7.874883      1.070444     -0.970395
  H      -6.069483      1.111375     -0.966045
  H      -6.748287     -1.492136      2.637870
  H      -4.016061     -2.317631      4.760160
  H      -0.385426     -0.860661      4.396783
  H      -0.816858      0.465652      3.334749
  H      -2.586031      1.184183      2.328262
  H      -3.635344      2.390243      0.819255
  H      -9.255775      8.888628      5.323366
  H      -7.989844     10.018515      4.791401
  H      -9.499559      9.856248      3.837468
  H      -7.023797      8.340634      6.098938
  H      -5.687918      7.594379      7.723059
  H      -2.923145      5.734364      7.096665
  H      -4.195978      4.810860      7.877337
  H      -5.296364      4.563296      3.376360
  H      -7.706539      6.762998      1.969744
  H     -10.334217      5.156283      1.834572
  H     -11.522329      4.044310      2.607066
  H     -11.852536      5.797661      2.486921
  H      -9.433040      5.500913      6.365719
  H      -6.993310      3.564667      8.062558
  H      -5.276308      1.612221      4.550247
  H      -5.914575      0.268738      5.492275
  H      -7.351115      1.705361      3.958912
  H      -9.756520      3.403401      2.192670
  N      -1.761502      2.938846      4.158519
  H      -0.971769      2.557579      3.644767
  H      -2.247883      3.663319      3.631409
95
Coordinates from ORCA-job orca E -6661.024966407344
  N      -1.041084      0.832576      5.428530
  Mo     -2.484110      2.211150      5.844243
  N      -4.033073      1.007740      6.088751
  C      -4.061059      0.045432      7.196763
  C      -2.657483     -0.165394      7.719743
  N      -1.961577      1.152539      7.776031
  C      -0.487288      1.016810      7.760469
  C      -0.083178      0.394788      6.432753
  C      -2.411122      1.972585      8.934384
  C      -2.115872      3.420046      8.599612
  N      -2.565996      3.623681      7.221487
  H       0.950298      0.691696      6.175651
  H      -0.076732     -0.707745      6.497588
  H      -0.066177      2.026685      7.841815
  H      -0.139518      0.418282      8.618079
  H      -2.668049      4.077589      9.287933
  H      -1.047463      3.667697      8.715313
  H      -3.497637      1.844949      9.022890
  H      -1.927089      1.624855      9.862046
  H      -4.462549     -0.922387      6.846698
  H      -4.751808      0.401231      7.980645
  H      -2.118426     -0.799757      7.011777
  H      -2.647729     -0.642655      8.712501
  C      -7.109893      1.280279     -0.185989
  C      -7.070504      0.300333      0.953742
  O      -8.069515     -0.337852      1.266618
  C      -5.799418      0.084963      1.747800
  C      -5.786453     -1.035344      2.578826
  C      -4.687404     -1.360351      3.378500
  O      -4.773938     -2.431697      4.184854
  C      -3.525582     -0.521751      3.344687
  C      -2.391411     -0.844587      4.197661
  O      -2.398024     -1.860309      4.935301
  C      -1.095321     -0.019800      4.243143
  C      -3.546787      0.604555      2.493788
  C      -4.652546      0.923528      1.716673
  O      -4.663785      2.042802      0.929629
  C      -8.758293      9.321432      4.453172
  C      -8.157291      8.224450      3.625864
  O      -8.608729      7.980509      2.489557
  C      -7.098120      7.360489      4.190088
  C      -6.605501      7.548356      5.490001
  C      -5.634909      6.714077      6.033619
  O      -5.174391      6.878622      7.304812
  C      -5.133875      5.629353      5.261555
  C      -4.175254      4.665090      5.775439
  O      -3.928079      3.616734      5.101520
  C      -3.451406      4.765218      7.066577
  C      -5.629260      5.434758      3.959272
  C      -6.585946      6.281142      3.404708
  O      -7.008408      6.053559      2.151138
  C     -11.025170      5.076719      2.558437
  C     -10.405816      5.316411      3.914838
  O     -10.733386      6.307519      4.560442
  C      -9.385460      4.364989      4.483056
  C      -8.994143      4.639490      5.800231
  C      -8.019310      3.900482      6.460380
  O      -7.703167      4.231506      7.731144
  C      -7.358874      2.847665      5.758955
  C      -6.195458      2.200972      6.367282
  O      -5.851798      2.461970      7.539455
  C      -5.348041      1.244394      5.529755
  C      -7.773041      2.545792      4.451856
  C      -8.777039      3.268415      3.806938
  O      -9.063184      2.841931      2.549319
  H      -7.172011      2.304090      0.214656
  H      -7.998818      1.077494     -0.793741
  H      -6.200219      1.241201     -0.799245
  H      -6.675522     -1.665569      2.620112
  H      -3.887956     -2.444029      4.686235
  H      -0.332645     -0.808909      4.353399
  H      -0.834614      0.508196      3.313260
  H      -2.677805      1.262587      2.449442
  H      -3.813346      2.505626      1.045000
  H      -9.253314      8.882880      5.333626
  H      -7.994790     10.026258      4.812428
  H      -9.500554      9.857627      3.853105
  H      -7.009672      8.352330      6.108175
  H      -5.672171      7.599695      7.732763
  H      -2.923651      5.738143      7.125846
  H      -4.202434      4.799297      7.878409
  H      -5.265388      4.595345      3.368638
  H      -7.672545      6.801354      1.967380
  H     -10.264021      5.192647      1.765740
  H     -11.483599      4.076960      2.484357
  H     -11.798317      5.832889      2.383855
  H      -9.474920      5.470271      6.316670
  H      -7.044564      3.536278      8.027520
  H      -5.253213      1.638570      4.510652
  H      -5.897782      0.287850      5.436332
  H      -7.316903      1.726955      3.894585
  H      -9.736185      3.401107      2.124527
  N      -1.716985      2.975359      4.170874
  H      -0.930420      2.586487      3.657677
  H      -2.176868      3.727409      3.659053
95
Coordinates from ORCA-job orca E -6661.025591509558
  N      -1.043778      0.813161      5.428852
  Mo     -2.495363      2.187480      5.843936
  N      -4.046046      0.990215      6.117088
  C      -4.070597      0.034571      7.232408
  C      -2.665677     -0.170918      7.753981
  N      -1.965546      1.144107      7.785362
  C      -0.492749      0.997550      7.763791
  C      -0.092123      0.373056      6.438082
  C      -2.400341      1.979242      8.938186
  C      -2.114250      3.424651      8.585222
  N      -2.573557      3.613850      7.207913
  H       0.942619      0.670469      6.186149
  H      -0.089548     -0.729168      6.501519
  H      -0.068088      2.006240      7.846725
  H      -0.146144      0.399744      8.622672
  H      -2.667864      4.087273      9.267751
  H      -1.046812      3.680965      8.690112
  H      -3.485049      1.850867      9.046093
  H      -1.902034      1.644837      9.863144
  H      -4.472303     -0.935045      6.888449
  H      -4.756527      0.399791      8.015884
  H      -2.129285     -0.820823      7.056953
  H      -2.653315     -0.629459      8.755271
  C      -7.043688      1.449660     -0.171199
  C      -7.027227      0.431846      0.935595
  O      -8.043093     -0.185247      1.235720
  C      -5.764016      0.172409      1.728054
  C      -5.773151     -0.969006      2.530522
  C      -4.684892     -1.328431      3.330377
  O      -4.798492     -2.406381      4.125915
  C      -3.508281     -0.516913      3.316260
  C      -2.390946     -0.872152      4.178288
  O      -2.421293     -1.899822      4.897172
  C      -1.093285     -0.055562      4.255116
  C      -3.503364      0.630630      2.495435
  C      -4.603727      0.994584      1.729822
  O      -4.593148      2.146861      0.990009
  C      -8.777797      9.271221      4.375148
  C      -8.168204      8.168728      3.561606
  O      -8.614895      7.909858      2.426341
  C      -7.099180      7.323128      4.132402
  C      -6.588859      7.543696      5.420431
  C      -5.613562      6.719980      5.972227
  O      -5.124254      6.922610      7.227285
  C      -5.132842      5.608858      5.224598
  C      -4.178113      4.648276      5.752062
  O      -3.940083      3.588508      5.093017
  C      -3.449598      4.761112      7.039658
  C      -5.640361      5.388000      3.930742
  C      -6.596169      6.227700      3.365663
  O      -7.028412      5.979018      2.119292
  C     -11.054511      5.053167      2.612509
  C     -10.420513      5.303725      3.959982
  O     -10.727972      6.309513      4.592790
  C      -9.407325      4.347994      4.532727
  C      -8.995768      4.637441      5.840153
  C      -8.019960      3.896941      6.497635
  O      -7.692614      4.234137      7.763503
  C      -7.374427      2.832224      5.799819
  C      -6.208356      2.185299      6.404357
  O      -5.848980      2.465761      7.566991
  C      -5.367757      1.218384      5.568660
  C      -7.811195      2.513579      4.504174
  C      -8.821798      3.233117      3.865831
  O      -9.137633      2.786410      2.621778
  H      -7.082108      2.459166      0.266374
  H      -7.937552      1.287720     -0.783936
  H      -6.135073      1.409746     -0.785886
  H      -6.673064     -1.584945      2.551269
  H      -3.914576     -2.452013      4.622581
  H      -0.323314     -0.836335      4.376887
  H      -0.828922      0.467639      3.321389
  H      -2.628219      1.282284      2.486023
  H      -3.736064      2.591252      1.130574
  H      -9.270386      8.841652      5.261457
  H      -8.017906      9.984872      4.725024
  H      -9.523394      9.795038      3.768373
  H      -6.978885      8.368157      6.020246
  H      -5.608980      7.659216      7.643942
  H      -2.910942      5.727998      7.087189
  H      -4.198573      4.813028      7.853374
  H      -5.284899      4.534688      3.355214
  H      -7.683094      6.731692      1.923988
  H     -10.298053      5.139182      1.812188
  H     -11.533956      4.061307      2.562648
  H     -11.816047      5.819109      2.430575
  H      -9.462606      5.479569      6.351094
  H      -7.030175      3.540118      8.056429
  H      -5.288528      1.598864      4.543155
  H      -5.918698      0.260687      5.494764
  H      -7.372609      1.680972      3.953680
  H      -9.841169      3.323522      2.217656
  N      -1.736085      2.931514      4.157126
  H      -0.941308      2.544104      3.655344
  H      -2.190583      3.682284      3.638923
95
Coordinates from ORCA-job orca E -6661.025975227883
  N      -1.023590      0.834829      5.421420
  Mo     -2.489103      2.196334      5.830677
  N      -4.044594      0.994327      6.068917
  C      -4.080689      0.009633      7.159639
  C      -2.683793     -0.193523      7.704250
  N      -1.992609      1.124451      7.765897
  C      -0.519356      0.981946      7.770956
  C      -0.087434      0.387059      6.441838
  C      -2.452967      1.940911      8.921586
  C      -2.171055      3.394073      8.597811
  N      -2.596593      3.602956      7.212429
  H       0.947831      0.704966      6.217898
  H      -0.072557     -0.715607      6.482536
  H      -0.100748      1.990354      7.886081
  H      -0.188667      0.368198      8.624965
  H      -2.750175      4.040692      9.274757
  H      -1.109482      3.660441      8.733496
  H      -3.538379      1.804214      9.008988
  H      -1.968653      1.596758      9.850342
  H      -4.464606     -0.954616      6.781772
  H      -4.784515      0.349827      7.938389
  H      -2.129157     -0.830521      7.008738
  H      -2.686036     -0.665078      8.699498
  C      -7.123505      1.434651     -0.022206
  C      -7.056811      0.375314      1.043245
  O      -8.046432     -0.287685      1.332777
  C      -5.771749      0.126987      1.802683
  C      -5.728084     -1.042145      2.563519
  C      -4.616837     -1.388932      3.337433
  O      -4.690036     -2.487043      4.111088
  C      -3.463309     -0.546347      3.322778
  C      -2.320416     -0.888047      4.158378
  O      -2.305423     -1.932487      4.852075
  C      -1.054272     -0.023885      4.240364
  C      -3.509790      0.627799      2.542216
  C      -4.639770      0.987378      1.818399
  O      -4.682245      2.174785      1.136332
  C      -8.789462      9.256880      4.368519
  C      -8.155781      8.179391      3.540388
  O      -8.592751      7.933779      2.397986
  C      -7.081956      7.337006      4.107103
  C      -6.577138      7.555495      5.397849
  C      -5.599804      6.734573      5.949896
  O      -5.112277      6.937736      7.205404
  C      -5.114410      5.625250      5.202756
  C      -4.164455      4.662547      5.734339
  O      -3.920678      3.606717      5.071141
  C      -3.456966      4.761005      7.035121
  C      -5.613534      5.408537      3.904663
  C      -6.568337      6.247614      3.337327
  O      -6.991147      6.000977      2.087135
  C     -11.056561      5.089140      2.609468
  C     -10.403336      5.343702      3.946734
  O     -10.688538      6.359990      4.573366
  C      -9.398355      4.378689      4.516878
  C      -8.980200      4.661904      5.823331
  C      -8.009023      3.910412      6.475949
  O      -7.682489      4.236352      7.744691
  C      -7.370098      2.846085      5.770295
  C      -6.205087      2.188905      6.367708
  O      -5.843480      2.456451      7.532539
  C      -5.363583      1.232599      5.519043
  C      -7.813855      2.534713      4.475341
  C      -8.824607      3.260706      3.845259
  O      -9.148781      2.822230      2.599839
  H      -7.191191      2.422718      0.458592
  H      -8.019939      1.265542     -0.629154
  H      -6.222782      1.450894     -0.649431
  H      -6.606681     -1.688392      2.576374
  H      -3.799562     -2.522769      4.593707
  H      -0.248041     -0.769883      4.341452
  H      -0.826192      0.521249      3.309187
  H      -2.660101      1.312039      2.547062
  H      -3.839980      2.642394      1.290877
  H      -9.292208      8.802978      5.237058
  H      -8.041736      9.969025      4.746257
  H      -9.530792      9.786983      3.761971
  H      -6.971149      8.377765      5.998040
  H      -5.596989      7.675081      7.620731
  H      -2.907174      5.720093      7.100166
  H      -4.220042      4.816119      7.835797
  H      -5.252359      4.558392      3.328023
  H      -7.647029      6.752599      1.889391
  H     -10.310238      5.160605      1.798742
  H     -11.546704      4.101656      2.575580
  H     -11.813678      5.860209      2.430865
  H      -9.439201      5.506135      6.337940
  H      -7.022288      3.537568      8.032417
  H      -5.282827      1.629548      4.499630
  H      -5.917062      0.277773      5.428927
  H      -7.382330      1.701621      3.920396
  H      -9.866716      3.353381      2.212735
  N      -1.698024      2.961257      4.166168
  H      -0.880656      2.593169      3.685484
  H      -2.133921      3.727504      3.654667
95
Coordinates from ORCA-job orca E -6661.026254743823
  N      -1.029384      0.832944      5.421433
  Mo     -2.492132      2.193791      5.837165
  N      -4.051326      0.997720      6.096187
  C      -4.074376     -0.002071      7.173672
  C      -2.672560     -0.198539      7.709913
  N      -1.987258      1.123073      7.769197
  C      -0.513374      0.982967      7.769433
  C      -0.086800      0.388307      6.438182
  C      -2.445727      1.939319      8.925622
  C      -2.167986      3.393172      8.601425
  N      -2.592823      3.601578      7.215922
  H       0.946310      0.710854      6.209525
  H      -0.067850     -0.714302      6.477981
  H      -0.094770      1.991552      7.885197
  H      -0.179222      0.368987      8.621879
  H      -2.750506      4.037130      9.278237
  H      -1.107407      3.663564      8.738308
  H      -3.529997      1.798788      9.019067
  H      -1.955162      1.597804      9.852060
  H      -4.451267     -0.964384      6.783302
  H      -4.777396      0.320881      7.960608
  H      -2.115139     -0.831655      7.012658
  H      -2.666258     -0.671857      8.704509
  C      -7.118858      1.472494     -0.034379
  C      -7.061001      0.419792      1.038257
  O      -8.057459     -0.229997      1.335119
  C      -5.774727      0.157206      1.790790
  C      -5.740305     -1.011762      2.552578
  C      -4.631572     -1.369847      3.324730
  O      -4.718424     -2.467158      4.098880
  C      -3.467852     -0.539188      3.305697
  C      -2.328111     -0.885738      4.146643
  O      -2.322531     -1.929634      4.839858
  C      -1.061260     -0.022540      4.237158
  C      -3.505090      0.634141      2.523462
  C      -4.633664      1.004440      1.802364
  O      -4.668243      2.196111      1.126236
  C      -8.788214      9.250506      4.352158
  C      -8.150742      8.171558      3.529015
  O      -8.584866      7.921657      2.386576
  C      -7.080829      7.328312      4.101981
  C      -6.568313      7.558259      5.387901
  C      -5.589249      6.740796      5.941875
  O      -5.091557      6.958125      7.191016
  C      -5.112534      5.620934      5.204289
  C      -4.163450      4.659741      5.738930
  O      -3.926161      3.599605      5.079809
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  C      -5.623424      5.389606      3.913159
  C      -6.576957      6.227307      3.341953
  O      -7.009169      5.967958      2.097279
  C     -11.032221      5.074160      2.590226
  C     -10.391622      5.331634      3.933190
  O     -10.664114      6.360773      4.544856
  C      -9.405012      4.359378      4.521931
  C      -8.990046      4.653080      5.827136
  C      -8.023089      3.904183      6.489310
  O      -7.695798      4.241847      7.754706
  C      -7.383352      2.834735      5.793084
  C      -6.215449      2.186840      6.393713
  O      -5.861810      2.451909      7.561505
  C      -5.371489      1.228831      5.549262
  C      -7.826754      2.510808      4.501257
  C      -8.836763      3.230727      3.864092
  O      -9.162408      2.782209      2.621778
  H      -7.163467      2.464162      0.442251
  H      -8.024923      1.316413     -0.630180
  H      -6.224727      1.468286     -0.671216
  H      -6.625406     -1.648815      2.567139
  H      -3.829167     -2.515542      4.583249
  H      -0.256938     -0.770503      4.335366
  H      -0.835185      0.526314      3.308712
  H      -2.651661      1.314013      2.528468
  H      -3.823531      2.656553      1.285915
  H      -9.292757      8.798551      5.220580
  H      -8.042748      9.965422      4.729132
  H      -9.528763      9.777149      3.741709
  H      -6.954346      8.389401      5.980962
  H      -5.567476      7.705501      7.598421
  H      -2.894549      5.718604      7.097411
  H      -4.210001      4.822963      7.839355
  H      -5.273106      4.528701      3.345464
  H      -7.663305      6.719948      1.894369
  H     -10.274970      5.121525      1.787823
  H     -11.540963      4.095785      2.561853
  H     -11.773034      5.856689      2.393550
  H      -9.443796      5.506478      6.331050
  H      -7.032987      3.547219      8.046764
  H      -5.294978      1.623622      4.528444
  H      -5.923540      0.272883      5.463429
  H      -7.394455      1.672419      3.954963
  H      -9.904385      3.289819      2.247892
  N      -1.704184      2.962978      4.170906
  H      -0.875813      2.610668      3.697297
  H      -2.138172      3.732788      3.662983
95
Coordinates from ORCA-job orca E -6661.026452494995
  N      -1.019855      0.858433      5.411725
  Mo     -2.504757      2.191844      5.833664
  N      -4.049773      0.975166      6.087804
  C      -4.051642     -0.052933      7.138688
  C      -2.647277     -0.223195      7.680863
  N      -1.991979      1.113282      7.756550
  C      -0.514754      1.003716      7.764975
  C      -0.070091      0.428734      6.429534
  C      -2.476582      1.908751      8.916086
  C      -2.222119      3.370342      8.610493
  N      -2.631223      3.585674      7.221801
  H       0.955280      0.778498      6.205648
  H      -0.024308     -0.673220      6.461534
  H      -0.114584      2.018156      7.894855
  H      -0.174238      0.386831      8.612696
  H      -2.826875      3.994235      9.286906
  H      -1.168714      3.659416      8.766383
  H      -3.558436      1.745406      8.998703
  H      -1.986203      1.568039      9.842952
  H      -4.398643     -1.014687      6.719927
  H      -4.769054      0.228406      7.928561
  H      -2.067427     -0.837792      6.985639
  H      -2.635890     -0.705474      8.671352
  C      -7.160859      1.504953      0.052224
  C      -7.083958      0.439515      1.110816
  O      -8.078708     -0.202506      1.430276
  C      -5.785362      0.173779      1.840692
  C      -5.733646     -1.003715      2.588590
  C      -4.610761     -1.367659      3.336652
  O      -4.678262     -2.479645      4.091548
  C      -3.453286     -0.527867      3.312578
  C      -2.300532     -0.876491      4.136209
  O      -2.285027     -1.929632      4.812746
  C      -1.043148      0.002221      4.226083
  C      -3.509392      0.655415      2.547521
  C      -4.648565      1.024987      1.842648
  O      -4.701563      2.220989      1.174215
  C      -8.748836      9.288960      4.268386
  C      -8.130507      8.179911      3.471269
  O      -8.549252      7.928583      2.323556
  C      -7.087114      7.320131      4.068099
  C      -6.585004      7.550920      5.358070
  C      -5.621216      6.724655      5.925602
  O      -5.130565      6.945783      7.177164
  C      -5.149620      5.595171      5.198227
  C      -4.202594      4.636270      5.739244
  O      -3.956090      3.578314      5.079413
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  C      -5.656956      5.358244      3.906491
  C      -6.594217      6.205067      3.322022
  O      -7.019597      5.945502      2.074935
  C     -10.979477      5.111584      2.598274
  C     -10.339235      5.355219      3.944223
  O     -10.586639      6.392087      4.554170
  C      -9.377847      4.360261      4.535791
  C      -8.962822      4.640510      5.844043
  C      -8.008389      3.873273      6.504120
  O      -7.676470      4.196503      7.771887
  C      -7.382020      2.801132      5.802026
  C      -6.222747      2.138737      6.400652
  O      -5.867414      2.397615      7.569292
  C      -5.371980      1.197077      5.544996
  C      -7.826741      2.490465      4.507510
  C      -8.826520      3.226257      3.873819
  O      -9.156099      2.793994      2.625558
  H      -7.186680      2.490482      0.543636
  H      -8.083534      1.363297     -0.521068
  H      -6.283588      1.502868     -0.607619
  H      -6.615492     -1.644912      2.608201
  H      -3.785581     -2.528315      4.568230
  H      -0.231120     -0.736848      4.318883
  H      -0.837347      0.557161      3.297915
  H      -2.660833      1.342399      2.549167
  H      -3.860916      2.689438      1.329085
  H      -9.276905      8.863995      5.136172
  H      -7.989778      9.990130      4.644079
  H      -9.466632      9.825136      3.639415
  H      -6.963962      8.391992      5.941585
  H      -5.595854      7.706298      7.572466
  H      -2.938347      5.700548      7.101234
  H      -4.254465      4.802624      7.839439
  H      -5.314211      4.488547      3.347469
  H      -7.658138      6.708167      1.861322
  H     -10.219634      5.148100      1.797867
  H     -11.503052      4.141110      2.565468
  H     -11.707642      5.906146      2.401768
  H      -9.402152      5.499671      6.350717
  H      -7.022964      3.489853      8.057391
  H      -5.300705      1.607087      4.529496
  H      -5.916717      0.238137      5.449070
  H      -7.403392      1.649563      3.958280
  H      -9.919280      3.287611      2.275792
  N      -1.721069      2.993786      4.178711
  H      -0.880714      2.666910      3.708785
  H      -2.159322      3.767549      3.680419
95
Coordinates from ORCA-job orca E -6661.026559758959
  N      -1.023396      0.874652      5.413277
  Mo     -2.519290      2.193006      5.837756
  N      -4.056987      0.968638      6.092560
  C      -4.048197     -0.072754      7.128728
  C      -2.643678     -0.230310      7.675345
  N      -2.000070      1.111594      7.755123
  C      -0.521785      1.015451      7.767076
  C      -0.065298      0.457326      6.427407
  C      -2.494224      1.898197      8.916762
  C      -2.250067      3.363137      8.619395
  N      -2.651058      3.581925      7.229146
  H       0.952901      0.828047      6.205371
  H       0.001842     -0.643739      6.453080
  H      -0.131012      2.031367      7.910897
  H      -0.179460      0.391686      8.609054
  H      -2.866494      3.976563      9.294813
  H      -1.200709      3.661371      8.786180
  H      -3.574906      1.725510      8.996122
  H      -2.003301      1.557375      9.843395
  H      -4.377940     -1.033044      6.693205
  H      -4.774171      0.185701      7.918616
  H      -2.055242     -0.840272      6.983762
  H      -2.631183     -0.712426      8.665899
  C      -7.172495      1.434724      0.028178
  C      -7.087725      0.398364      1.114312
  O      -8.079627     -0.234207      1.460703
  C      -5.781219      0.145174      1.834109
  C      -5.716932     -1.026687      2.589397
  C      -4.586293     -1.378763      3.331248
  O      -4.641497     -2.487771      4.091381
  C      -3.437245     -0.527253      3.298893
  C      -2.282901     -0.860611      4.125152
  O      -2.260120     -1.911092      4.805884
  C      -1.033920      0.030138      4.219590
  C      -3.506671      0.651011      2.528069
  C      -4.650821      1.004563      1.822906
  O      -4.716210      2.191413      1.139887
  C      -8.714512      9.332951      4.271758
  C      -8.110591      8.218781      3.471079
  O      -8.533810      7.975933      2.323152
  C      -7.082844      7.341129      4.070068
  C      -6.585062      7.562790      5.363158
  C      -5.633410      6.724925      5.933584
  O      -5.149811      6.936211      7.189721
  C      -5.167774      5.593484      5.205415
  C      -4.223181      4.632101      5.745950
  O      -3.979312      3.572039      5.088040
  C      -3.509501      4.740255      7.044668
  C      -5.673663      5.362611      3.912003
  C      -6.600530      6.219700      3.325219
  O      -7.025684      5.963467      2.077726
  C     -10.975456      5.123197      2.611818
  C     -10.305376      5.379153      3.940725
  O     -10.534409      6.424361      4.543554
  C      -9.357273      4.374028      4.537202
  C      -8.944613      4.651050      5.846995
  C      -8.001202      3.873914      6.512099
  O      -7.671588      4.193170      7.781286
  C      -7.383610      2.794693      5.812579
  C      -6.232959      2.119561      6.412920
  O      -5.881551      2.364889      7.585980
  C      -5.380121      1.185568      5.551232
  C      -7.826304      2.488277      4.516208
  C      -8.815225      3.233961      3.878010
  O      -9.140214      2.808367      2.625612
  H      -7.191613      2.432824      0.493422
  H      -8.100981      1.280547     -0.532471
  H      -6.301509      1.412449     -0.639710
  H      -6.595115     -1.672409      2.621950
  H      -3.747894     -2.523616      4.567977
  H      -0.217195     -0.704572      4.307379
  H      -0.833443      0.597389      3.297753
  H      -2.663553      1.345653      2.520028
  H      -3.881566      2.671853      1.291662
  H      -9.245138      8.910857      5.139328
  H      -7.946942     10.024500      4.647804
  H      -9.427243      9.879020      3.645429
  H      -6.958765      8.405805      5.947425
  H      -5.605813      7.703778      7.582235
  H      -2.953768      5.696995      7.100872
  H      -4.270042      4.805490      7.846343
  H      -5.337087      4.490917      3.352557
  H      -7.654642      6.734567      1.861488
  H     -10.231198      5.139412      1.796497
  H     -11.510614      4.158387      2.602028
  H     -11.698295      5.923435      2.418372
  H      -9.376648      5.515147      6.351527
  H      -7.029394      3.476566      8.070361
  H      -5.311131      1.602844      4.538657
  H      -5.920646      0.224996      5.450224
  H      -7.409516      1.641829      3.970573
  H      -9.909300      3.295931      2.280702
  N      -1.745906      3.002797      4.181121
  H      -0.911099      2.676761      3.700598
  H      -2.196839      3.766887      3.679103
95
Coordinates from ORCA-job orca E -6661.026601525772
  N      -1.024381      0.871261      5.412182
  Mo     -2.516602      2.192437      5.838275
  N      -4.054001      0.968350      6.096311
  C      -4.046060     -0.068639      7.135726
  C      -2.641983     -0.226967      7.682064
  N      -1.994577      1.113283      7.755490
  C      -0.516608      1.014453      7.762955
  C      -0.064426      0.452972      6.423328
  C      -2.482628      1.902987      8.918264
  C      -2.236933      3.366952      8.616602
  N      -2.644122      3.582997      7.227663
  H       0.954078      0.820010      6.197307
  H      -0.000142     -0.648260      6.451427
  H      -0.125293      2.030435      7.903089
  H      -0.172607      0.392182      8.605432
  H      -2.848809      3.983174      9.293533
  H      -1.186311      3.663026      8.777855
  H      -3.563401      1.732772      9.002500
  H      -1.988880      1.562822      9.843663
  H      -4.376641     -1.029906      6.703047
  H      -4.772032      0.191597      7.925118
  H      -2.056504     -0.842629      6.992971
  H      -2.629788     -0.703804      8.675074
  C      -7.195082      1.460325      0.057752
  C      -7.102747      0.415226      1.134418
  O      -8.090190     -0.227210      1.475400
  C      -5.792649      0.157694      1.846531
  C      -5.724822     -1.021195      2.590355
  C      -4.593146     -1.377021      3.329103
  O      -4.644444     -2.493969      4.077094
  C      -3.446896     -0.521661      3.305446
  C      -2.290737     -0.858389      4.127586
  O      -2.264791     -1.909246      4.808600
  C      -1.039081      0.028902      4.217584
  C      -3.518713      0.662368      2.543676
  C      -4.663597      1.019660      1.841731
  O      -4.729632      2.210318      1.166255
  C      -8.706576      9.335550      4.275331
  C      -8.109506      8.216920      3.475598
  O      -8.540901      7.968148      2.332069
  C      -7.079656      7.340794      4.072643
  C      -6.579346      7.563293      5.364403
  C      -5.629389      6.723719      5.935105
  O      -5.148434      6.931875      7.192714
  C      -5.164546      5.592494      5.206307
  C      -4.219887      4.630816      5.746224
  O      -3.976631      3.569875      5.088832
  C      -3.506240      4.739126      7.044715
  C      -5.671521      5.362070      3.913264
  C      -6.600764      6.217926      3.328359
  O      -7.032781      5.958209      2.083975
  C     -10.964143      5.109511      2.583325
  C     -10.308087      5.362009      3.919641
  O     -10.547406      6.403698      4.524197
  C      -9.355339      4.362024      4.517895
  C      -8.950385      4.639077      5.830070
  C      -8.006568      3.865570      6.498732
  O      -7.681555      4.187070      7.768611
  C      -7.382828      2.788021      5.802113
  C      -6.233303      2.115580      6.408019
  O      -5.891084      2.357819      7.584462
  C      -5.376173      1.181344      5.550739
  C      -7.819181      2.480059      4.503798
  C      -8.805870      3.224267      3.860394
  O      -9.121845      2.799107      2.605560
  H      -7.213377      2.454510      0.530784
  H      -8.125917      1.309096     -0.499942
  H      -6.327237      1.444966     -0.614500
  H      -6.602113     -1.668416      2.619470
  H      -3.751845     -2.528452      4.555611
  H      -0.224548     -0.709031      4.302538
  H      -0.839457      0.598170      3.296637
  H      -2.677046      1.358202      2.541451
  H      -3.895627      2.691261      1.321887
  H      -9.228326      8.917686      5.150300
  H      -7.936079     10.029691      4.640429
  H      -9.425436      9.877706      3.652548
  H      -6.953036      8.405884      5.949284
  H      -5.602939      7.700455      7.585004
  H      -2.953924      5.697794      7.100288
  H      -4.265910      4.801312      7.847438
  H      -5.335715      4.490426      3.353388
  H      -7.663056      6.728481      1.868902
  H     -10.212057      5.132261      1.775545
  H     -11.495146      4.142454      2.564122
  H     -11.688827      5.907236      2.386947
  H      -9.388825      5.500429      6.333890
  H      -7.039065      3.472454      8.061321
  H      -5.305005      1.596231      4.537672
  H      -5.914194      0.219185      5.450205
  H      -7.399367      1.633106      3.961349
  H      -9.896644      3.277093      2.260423
  N      -1.738537      3.005879      4.185343
  H      -0.905200      2.677812      3.703050
  H      -2.190305      3.768446      3.681790
95
Coordinates from ORCA-job orca E -6661.026634967825
  N      -1.025544      0.879768      5.412278
  Mo     -2.523981      2.194753      5.837667
  N      -4.056388      0.965458      6.089339
  C      -4.044627     -0.078544      7.121987
  C      -2.641017     -0.232035      7.671634
  N      -2.001271      1.111170      7.752210
  C      -0.523059      1.019855      7.764485
  C      -0.063802      0.466912      6.423773
  C      -2.496963      1.893881      8.916472
  C      -2.255695      3.360344      8.622104
  N      -2.655569      3.581465      7.231637
  H       0.951993      0.843065      6.200363
  H       0.009593     -0.633826      6.449203
  H      -0.137323      2.036991      7.911307
  H      -0.179233      0.394574      8.604829
  H      -2.874261      3.971095      9.297971
  H      -1.207405      3.660211      8.791137
  H      -3.577490      1.719332      8.995339
  H      -2.005821      1.551383      9.842367
  H      -4.367580     -1.039097      6.681902
  H      -4.774538      0.171622      7.910794
  H      -2.050796     -0.842183      6.981412
  H      -2.629204     -0.712138      8.663068
  C      -7.193526      1.402177      0.039374
  C      -7.098464      0.373492      1.131221
  O      -8.086039     -0.259040      1.489674
  C      -5.785885      0.126885      1.842684
  C      -5.708459     -1.050081      2.588292
  C      -4.573603     -1.394644      3.327932
  O      -4.614870     -2.509542      4.079224
  C      -3.434873     -0.530561      3.301607
  C      -2.276368     -0.857091      4.124181
  O      -2.243003     -1.906150      4.807714
  C      -1.031781      0.040282      4.215709
  C      -3.516390      0.652002      2.538312
  C      -4.664346      0.998830      1.836316
  O      -4.743021      2.188778      1.161541
  C      -8.718914      9.333843      4.270177
  C      -8.107163      8.224444      3.468707
  O      -8.523533      7.982280      2.318232
  C      -7.078638      7.349712      4.069573
  C      -6.585735      7.568852      5.364740
  C      -5.637484      6.728778      5.937990
  O      -5.161416      6.935835      7.197707
  C      -5.169192      5.598995      5.208650
  C      -4.228168      4.634204      5.749614
  O      -3.987256      3.573278      5.091780
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  C      -5.668387      5.373117      3.911831
  C      -6.593769      6.230988      3.324043
  O      -7.016510      5.977827      2.075042
  C     -10.958159      5.149742      2.607607
  C     -10.292966      5.394964      3.940677
  O     -10.516947      6.439380      4.546375
  C      -9.345505      4.386100      4.532122
  C      -8.936677      4.653786      5.844869
  C      -7.998263      3.869361      6.508318
  O      -7.671501      4.179242      7.780512
  C      -7.381695      2.792343      5.804950
  C      -6.235957      2.110572      6.407750
  O      -5.893423      2.346984      7.585102
  C      -5.379895      1.179205      5.545639
  C      -7.821816      2.494033      4.505533
  C      -8.804805      3.248037      3.867887
  O      -9.125674      2.831301      2.611259
  H      -7.215912      2.403097      0.497731
  H      -8.123578      1.239765     -0.516558
  H      -6.325198      1.379888     -0.632069
  H      -6.580334     -1.704490      2.618955
  H      -3.722812     -2.534374      4.558382
  H      -0.210745     -0.690341      4.300124
  H      -0.836525      0.612465      3.295708
  H      -2.680884      1.354597      2.536659
  H      -3.914782      2.679592      1.316645
  H      -9.246282      8.906100      5.136999
  H      -7.956247     10.029969      4.647858
  H      -9.435067      9.876092      3.644427
  H      -6.962550      8.410046      5.949587
  H      -5.617130      7.704257      7.588949
  H      -2.961266      5.697289      7.104286
  H      -4.274597      4.803592      7.851586
  H      -5.327938      4.504219      3.350394
  H      -7.642561      6.750851      1.858154
  H     -10.211280      5.178531      1.795165
  H     -11.487303      4.181895      2.585891
  H     -11.684608      5.948091      2.420660
  H      -9.368975      5.515035      6.354195
  H      -7.035461      3.457402      8.068907
  H      -5.310202      1.597023      4.533921
  H      -5.916925      0.216642      5.443507
  H      -7.409028      1.646528      3.958667
  H      -9.899137      3.314139      2.270084
  N      -1.750479      3.010531      4.183896
  H      -0.919422      2.681944      3.697737
  H      -2.207374      3.769112      3.678765
95
Coordinates from ORCA-job orca E -6661.026660782864
  N      -1.027258      0.882182      5.412235
  Mo     -2.530516      2.192628      5.836867
  N      -4.057697      0.958223      6.086313
  C      -4.042394     -0.088666      7.116483
  C      -2.638739     -0.236797      7.668510
  N      -2.005196      1.109064      7.750886
  C      -0.526663      1.022972      7.765337
  C      -0.064478      0.473212      6.424263
  C      -2.505782      1.888411      8.915268
  C      -2.269339      3.356333      8.623788
  N      -2.665115      3.578496      7.232345
  H       0.949818      0.854055      6.201492
  H       0.013756     -0.627243      6.449494
  H      -0.144331      2.041126      7.914690
  H      -0.182392      0.396950      8.604916
  H      -2.892749      3.963720      9.298322
  H      -1.222824      3.660275      8.796921
  H      -3.585905      1.710088      8.991289
  H      -2.015555      1.545901      9.841573
  H      -4.359905     -1.049950      6.673928
  H      -4.774635      0.156091      7.904747
  H      -2.044869     -0.844481      6.979034
  H      -2.626973     -0.716717      8.660048
  C      -7.183252      1.389172      0.029260
  C      -7.095676      0.376113      1.136194
  O      -8.088951     -0.237466      1.511256
  C      -5.782469      0.126965      1.845389
  C      -5.705073     -1.049605      2.591396
  C      -4.568660     -1.394758      3.328915
  O      -4.609004     -2.508912      4.081401
  C      -3.429693     -0.531484      3.299621
  C      -2.270346     -0.856822      4.121066
  O      -2.235049     -1.906270      4.803975
  C      -1.028179      0.044072      4.214341
  C      -3.512018      0.651360      2.536343
  C      -4.660533      0.998174      1.835707
  O      -4.742038      2.188287      1.161732
  C      -8.727036      9.327603      4.260797
  C      -8.106095      8.225184      3.457023
  O      -8.511356      7.991461      2.300771
  C      -7.078740      7.350136      4.059984
  C      -6.589894      7.568904      5.356866
  C      -5.642234      6.729703      5.932549
  O      -5.166793      6.939136      7.192053
  C      -5.173037      5.599081      5.205121
  C      -4.235758      4.632227      5.748847
  O      -3.997050      3.570282      5.092346
  C      -3.522734      4.737730      7.047823
  C      -5.667681      5.373860      3.906557
  C      -6.589775      6.232622      3.314988
  O      -7.003677      5.981983      2.062562
  C     -10.962435      5.161215      2.630189
  C     -10.281348      5.409850      3.954467
  O     -10.492981      6.458428      4.557702
  C      -9.337523      4.396142      4.543048
  C      -8.925118      4.660223      5.855242
  C      -7.990428      3.869400      6.516412
  O      -7.662680      4.174424      7.789344
  C      -7.379439      2.790841      5.810280
  C      -6.236420      2.102421      6.410998
  O      -5.891690      2.335492      7.588254
  C      -5.383174      1.171058      5.545717
  C      -7.822122      2.497492      4.510562
  C      -8.802787      3.257002      3.875993
  O      -9.125344      2.845727      2.617787
  H      -7.199964      2.396982      0.472572
  H      -8.113543      1.224433     -0.525587
  H      -6.314114      1.351118     -0.640600
  H      -6.577258     -1.703402      2.623902
  H      -3.715838     -2.535257      4.558639
  H      -0.204125     -0.682761      4.299076
  H      -0.834870      0.618028      3.295159
  H      -2.676716      1.354123      2.535469
  H      -3.914272      2.680441      1.313808
  H      -9.259957      8.892107      5.120389
  H      -7.968947     10.022857      4.649290
  H      -9.439663      9.872394      3.633333
  H      -6.967108      8.411129      5.939932
  H      -5.621980      7.708803      7.581427
  H      -2.967236      5.694888      7.101301
  H      -4.281315      4.804894      7.851169
  H      -5.324552      4.505503      3.345826
  H      -7.626323      6.756817      1.841870
  H     -10.225165      5.189894      1.808980
  H     -11.489497      4.192176      2.616344
  H     -11.692259      5.958151      2.450443
  H      -9.352813      5.522429      6.366749
  H      -7.030972      3.448194      8.076492
  H      -5.316708      1.588527      4.533633
  H      -5.919633      0.207954      5.446235
  H      -7.413400      1.649342      3.961534
  H      -9.898287      3.331031      2.278787
  N      -1.759802      3.009878      4.182606
  H      -0.929034      2.682759      3.695179
  H      -2.218500      3.767850      3.678095
95
Coordinates from ORCA-job orca E -6661.026674243863
  N      -1.030193      0.885594      5.411688
  Mo     -2.534311      2.194424      5.838327
  N      -4.058727      0.957566      6.087156
  C      -4.041609     -0.090651      7.115955
  C      -2.637593     -0.237003      7.667929
  N      -2.005693      1.109637      7.750655
  C      -0.526912      1.024820      7.763902
  C      -0.065774      0.476596      6.421785
  C      -2.506310      1.887201      8.916294
  C      -2.271529      3.355743      8.626541
  N      -2.667605      3.579338      7.235436
  H       0.948026      0.858271      6.197969
  H       0.013262     -0.623883      6.446056
  H      -0.145289      2.043165      7.913902
  H      -0.181638      0.398052      8.602486
  H      -2.895507      3.961768      9.301778
  H      -1.225294      3.660644      8.799885
  H      -3.586268      1.707871      8.992436
  H      -2.015437      1.543728      9.841863
  H      -4.357318     -1.052086      6.672267
  H      -4.774387      0.151594      7.904515
  H      -2.043227     -0.843853      6.978186
  H      -2.625266     -0.716831      8.659503
  C      -7.191694      1.361602      0.024617
  C      -7.101158      0.356786      1.138775
  O      -8.093525     -0.252357      1.523342
  C      -5.785676      0.112920      1.845332
  C      -5.701725     -1.063455      2.590619
  C      -4.562801     -1.402763      3.327200
  O      -4.597379     -2.516431      4.080753
  C      -3.427989     -0.533940      3.296271
  C      -2.266722     -0.853462      4.116830
  O      -2.226346     -1.902455      4.800424
  C      -1.028259      0.052617      4.210379
  C      -3.517584      0.649449      2.534215
  C      -4.668635      0.990449      1.835056
  O      -4.758394      2.180903      1.162931
  C      -8.721963      9.338605      4.267429
  C      -8.098216      8.239116      3.461867
  O      -8.501238      8.007501      2.304437
  C      -7.073930      7.361017      4.065614
  C      -6.586780      7.576315      5.363696
  C      -5.641282      6.734433      5.939007
  O      -5.166287      6.940782      7.199120
  C      -5.173627      5.604125      5.210325
  C      -4.238900      4.634676      5.753877
  O      -4.002314      3.572524      5.097026
  C      -3.525274      4.738687      7.052521
  C      -5.667024      5.382094      3.910730
  C      -6.585907      6.244276      3.319098
  O      -6.997758      5.997732      2.065154
  C     -10.959856      5.161600      2.625125
  C     -10.279178      5.410602      3.949437
  O     -10.489541      6.460095      4.551643
  C      -9.334760      4.397473      4.537798
  C      -8.924900      4.659815      5.851123
  C      -7.991290      3.868214      6.512950
  O      -7.666165      4.171768      7.786887
  C      -7.379093      2.790356      5.806700
  C      -6.239202      2.098977      6.410101
  O      -5.896519      2.331233      7.588049
  C      -5.384615      1.167760      5.545938
  C      -7.818422      2.499558      4.505248
  C      -8.797480      3.260240      3.869615
  O      -9.115599      2.852284      2.609094
  H      -7.213074      2.372453      0.460684
  H      -8.120545      1.189343     -0.530380
  H      -6.321477      1.322293     -0.643859
  H      -6.570590     -1.721557      2.624458
  H      -3.704008     -2.537843      4.558427
  H      -0.200741     -0.670754      4.291608
  H      -0.838090      0.630828      3.293243
  H      -2.686622      1.357538      2.534876
  H      -3.933493      2.677979      1.314304
  H      -9.254616      8.899897      5.125562
  H      -7.965356     10.034337      4.657971
  H      -9.434993      9.883587      3.640623
  H      -6.962735      8.418552      5.947534
  H      -5.619658      7.711078      7.589330
  H      -2.969921      5.695996      7.106064
  H      -4.283040      4.805440      7.856707
  H      -5.325158      4.513844      3.349062
  H      -7.617579      6.774764      1.844904
  H     -10.222953      5.196722      1.803766
  H     -11.481162      4.189539      2.608801
  H     -11.694152      5.954962      2.447784
  H      -9.354036      5.520843      6.363368
  H      -7.035133      3.445277      8.074604
  H      -5.318381      1.583245      4.533019
  H      -5.919411      0.203606      5.448517
  H      -7.408796      1.651953      3.956104
  H      -9.890760      3.334292      2.270430
  N      -1.764871      3.013785      4.184414
  H      -0.934105      2.688408      3.695814
  H      -2.224826      3.771774      3.681072
95
Coordinates from ORCA-job orca E -6661.026682933303
  N      -1.031251      0.887462      5.409966
  Mo     -2.535889      2.195443      5.838163
  N      -4.058179      0.956830      6.086589
  C      -4.039658     -0.092171      7.114572
  C      -2.635217     -0.237223      7.666108
  N      -2.004460      1.110146      7.749134
  C      -0.525377      1.026783      7.761129
  C      -0.065239      0.478994      6.418471
  C      -2.505078      1.886436      8.915623
  C      -2.271379      3.355335      8.627114
  N      -2.668036      3.580084      7.236329
  H       0.948148      0.860953      6.193294
  H       0.014185     -0.621514      6.442608
  H      -0.144631      2.045505      7.910712
  H      -0.178854      0.400280      8.599358
  H      -2.895428      3.960471      9.303035
  H      -1.225205      3.660713      8.800240
  H      -3.584937      1.706405      8.991906
  H      -2.013705      1.542306      9.840674
  H      -4.354530     -1.053637      6.670343
  H      -4.772517      0.148790      7.903441
  H      -2.040674     -0.843217      6.975888
  H      -2.622214     -0.717272      8.657547
  C      -7.197002      1.343362      0.021851
  C      -7.107237      0.350327      1.146638
  O      -8.099956     -0.253667      1.538383
  C      -5.790680      0.108765      1.851725
  C      -5.703346     -1.068102      2.595560
  C      -4.562522     -1.405596      3.330101
  O      -4.593863     -2.520065      4.082522
  C      -3.429545     -0.534221      3.298256
  C      -2.266405     -0.852237      4.116505
  O      -2.223527     -1.901186      4.800134
  C      -1.028903      0.055091      4.208408
  C      -3.523173      0.650452      2.538326
  C      -4.676118      0.989493      1.841468
  O      -4.770994      2.181155      1.172257
  C      -8.720171      9.344310      4.273170
  C      -8.095776      8.245921      3.466571
  O      -8.495838      8.017297      2.307572
  C      -7.071817      7.367027      4.069818
  C      -6.587079      7.578862      5.369323
  C      -5.642543      6.735542      5.944002
  O      -5.170676      6.937504      7.205959
  C      -5.173482      5.607300      5.213112
  C      -4.239889      4.636365      5.756198
  O      -4.005032      3.573886      5.099324
  C      -3.526166      4.739181      7.054835
  C      -5.664452      5.388716      3.911990
  C      -6.581971      6.252789      3.320901
  O      -6.991900      6.009685      2.065622
  C     -10.956521      5.161160      2.618686
  C     -10.274544      5.411579      3.942044
  O     -10.484022      6.461849      4.543260
  C      -9.331272      4.398143      4.531438
  C      -8.924936      4.658589      5.846280
  C      -7.992481      3.866462      6.509192
  O      -7.670514      4.168642      7.784293
  C      -7.378049      2.789889      5.802813
  C      -6.239235      2.097947      6.407730
  O      -5.900743      2.326107      7.587669
  C      -5.384383      1.165592      5.545098
  C      -7.814181      2.500924      4.499892
  C      -8.791625      3.262407      3.862786
  O      -9.104785      2.857679      2.599964
  H      -7.225602      2.358255      0.447923
  H      -8.122491      1.161592     -0.535806
  H      -6.323470      1.301838     -0.642070
  H      -6.570570     -1.728333      2.629995
  H      -3.699839     -2.540020      4.559334
  H      -0.200171     -0.667116      4.288585
  H      -0.840251      0.633733      3.291280
  H      -2.694168      1.361068      2.540287
  H      -3.947335      2.680466      1.323095
  H      -9.251502      8.904574      5.131556
  H      -7.963903     10.040709      4.663231
  H      -9.434177      9.888929      3.647152
  H      -6.964767      8.419061      5.955016
  H      -5.625179      7.706241      7.597944
  H      -2.971315      5.696740      7.109133
  H      -4.283719      4.805057      7.859342
  H      -5.322207      4.521569      3.348882
  H      -7.611562      6.787075      1.846709
  H     -10.220682      5.201110      1.796519
  H     -11.473237      4.186691      2.601473
  H     -11.694573      5.951508      2.443458
  H      -9.355610      5.518608      6.358925
  H      -7.040307      3.441700      8.072753
  H      -5.317877      1.578634      4.531261
  H      -5.918699      0.200981      5.449892
  H      -7.402742      1.654500      3.950357
  H      -9.881847      3.336744      2.261410
  N      -1.768139      3.015777      4.184010
  H      -0.937334      2.691519      3.694767
  H      -2.229138      3.773570      3.681347
95
Coordinates from ORCA-job orca E -6661.026688493278
  N      -1.031486      0.887148      5.408675
  Mo     -2.534793      2.196331      5.838750
  N      -4.057246      0.958158      6.088514
  C      -4.038896     -0.089689      7.117705
  C      -2.633908     -0.235789      7.667373
  N      -2.001647      1.111146      7.749184
  C      -0.522519      1.026465      7.758806
  C      -0.065314      0.476414      6.416177
  C      -2.499757      1.888309      8.916102
  C      -2.265665      3.356881      8.626714
  N      -2.665346      3.581429      7.236737
  H       0.948896      0.855335      6.189661
  H       0.010983     -0.624312      6.440733
  H      -0.140776      2.045167      7.905892
  H      -0.175066      0.401241      8.597585
  H      -2.887684      3.962719      9.303846
  H      -1.218851      3.661555      8.797170
  H      -3.579605      1.708982      8.994392
  H      -2.006979      1.544230      9.840449
  H      -4.356035     -1.051151      6.675198
  H      -4.770202      0.153662      7.907332
  H      -2.040890     -0.842179      6.976279
  H      -2.619912     -0.715924      8.658729
  C      -7.201016      1.339274      0.021594
  C      -7.112410      0.350533      1.150349
  O      -8.105959     -0.250101      1.545146
  C      -5.795890      0.109507      1.855438
  C      -5.707417     -1.067943      2.598162
  C      -4.565834     -1.405356      3.331532
  O      -4.595940     -2.520789      4.082524
  C      -3.433389     -0.533233      3.299743
  C      -2.269443     -0.851572      4.116742
  O      -2.225973     -1.900955      4.799658
  C      -1.031529      0.055061      4.206806
  C      -3.528228      0.652091      2.540921
  C      -4.682103      0.991088      1.845562
  O      -4.778973      2.184038      1.178726
  C      -8.720885      9.343326      4.277441
  C      -8.095715      8.246529      3.469269
  O      -8.495800      8.019421      2.309987
  C      -7.071839      7.366966      4.071961
  C      -6.589353      7.577126      5.372565
  C      -5.644808      6.733938      5.947312
  O      -5.175291      6.934316      7.210392
  C      -5.173342      5.607340      5.215355
  C      -4.239271      4.636698      5.758281
  O      -4.003516      3.574862      5.100602
  C      -3.525494      4.739244      7.056943
  C      -5.662242      5.390098      3.913249
  C      -6.579753      6.254155      3.322033
  O      -6.987008      6.012243      2.065687
  C     -10.951932      5.159801      2.610400
  C     -10.273297      5.409581      3.935635
  O     -10.484668      6.459403      4.536925
  C      -9.329947      4.396853      4.525988
  C      -8.927285      4.656108      5.842248
  C      -7.994795      3.864881      6.506185
  O      -7.675713      4.166366      7.782256
  C      -7.377310      2.790042      5.800011
  C      -6.239415      2.098509      6.407012
  O      -5.901932      2.328234      7.586934
  C      -5.383109      1.166204      5.546066
  C      -7.809851      2.502115      4.495698
  C      -8.786738      3.262993      3.857065
  O      -9.096116      2.859632      2.592875
  H      -7.234648      2.355386      0.444390
  H      -8.124072      1.152957     -0.538652
  H      -6.325132      1.298396     -0.639148
  H      -6.574027     -1.728992      2.632397
  H      -3.701296     -2.540955      4.558046
  H      -0.202791     -0.667389      4.284990
  H      -0.844158      0.633908      3.289523
  H      -2.699628      1.363274      2.543094
  H      -3.955370      2.683408      1.329795
  H      -9.251514      8.902570      5.135692
  H      -7.964943     10.040001      4.667677
  H      -9.435558      9.888007      3.652220
  H      -6.969277      8.415679      5.959212
  H      -5.631963      7.701325      7.603264
  H      -2.972200      5.697569      7.113023
  H      -4.283365      4.802491      7.861344
  H      -5.318580      4.523870      3.349572
  H      -7.607947      6.788742      1.846869
  H     -10.214093      5.201946      1.790095
  H     -11.467628      4.184842      2.590620
  H     -11.690483      5.949498      2.434299
  H      -9.360526      5.514750      6.355048
  H      -7.044521      3.440430      8.070994
  H      -5.315524      1.578025      4.531797
  H      -5.917257      0.201451      5.451337
  H      -7.395657      1.657315      3.945761
  H      -9.874041      3.337106      2.253981
  N      -1.766914      3.016751      4.184689
  H      -0.936790      2.692041      3.694612
  H      -2.226754      3.776448      3.683854
95
Coordinates from ORCA-job orca E -6661.026691775542
  N      -1.030216      0.889108      5.408215
  Mo     -2.534957      2.196815      5.838374
  N      -4.057354      0.958024      6.086039
  C      -4.039303     -0.091287      7.113833
  C      -2.634710     -0.237246      7.664538
  N      -2.003199      1.109873      7.748153
  C      -0.524103      1.025935      7.759310
  C      -0.064669      0.478365      6.416437
  C      -2.502902      1.885636      8.915215
  C      -2.269473      3.354643      8.627739
  N      -2.667602      3.580520      7.237517
  H       0.949217      0.859265      6.191813
  H       0.013225     -0.622245      6.439410
  H      -0.143108      2.044608      7.908621
  H      -0.177338      0.399698      8.597633
  H      -2.893048      3.959031      9.304771
  H      -1.223196      3.660157      8.799965
  H      -3.582701      1.705556      8.992337
  H      -2.010826      1.541030      9.839762
  H      -4.355433     -1.052204      6.669528
  H      -4.771385      0.150889      7.903093
  H      -2.040650     -0.842620      6.973405
  H      -2.621271     -0.718401      8.655399
  C      -7.200254      1.331987      0.021900
  C      -7.112062      0.346564      1.153657
  O      -8.105803     -0.252077      1.550890
  C      -5.795211      0.106591      1.858173
  C      -5.704955     -1.070894      2.600652
  C      -4.562295     -1.407201      3.332906
  O      -4.590800     -2.522812      4.083708
  C      -3.430833     -0.533881      3.300193
  C      -2.265526     -0.851461      4.115694
  O      -2.219991     -1.901419      4.797531
  C      -1.029296      0.057369      4.205965
  C      -3.527687      0.651584      2.541992
  C      -4.682605      0.989414      1.847800
  O      -4.781964      2.182651      1.181575
  C      -8.718887      9.346264      4.275771
  C      -8.093570      8.249144      3.468184
  O      -8.492915      8.022174      2.308606
  C      -7.071288      7.368501      4.071814
  C      -6.589518      7.578056      5.372792
  C      -5.645744      6.734125      5.947766
  O      -5.176417      6.934306      7.210992
  C      -5.174411      5.607430      5.215706
  C      -4.240285      4.636792      5.758476
  O      -4.003503      3.575600      5.100092
  C      -3.527311      4.738646      7.057695
  C      -5.663006      5.390663      3.913401
  C      -6.579852      6.255358      3.322116
  O      -6.986857      6.014272      2.065543
  C     -10.955830      5.161178      2.614468
  C     -10.272024      5.412758      3.936716
  O     -10.481024      6.463349      4.537504
  C      -9.328832      4.399480      4.526296
  C      -8.924944      4.658622      5.842183
  C      -7.992833      3.866496      6.505601
  O      -7.673095      4.167255      7.781672
  C      -7.376676      2.791239      5.798976
  C      -6.238962      2.098873      6.405244
  O      -5.901003      2.327907      7.585191
  C      -5.382985      1.166995      5.543585
  C      -7.810077      2.503777      4.494842
  C      -8.787001      3.265158      3.856977
  O      -9.098074      2.861758      2.593102
  H      -7.237566      2.348948      0.442381
  H      -8.121806      1.142203     -0.539704
  H      -6.322954      1.291490     -0.636942
  H      -6.570815     -1.732889      2.635553
  H      -3.695689     -2.542444      4.558234
  H      -0.199270     -0.663569      4.283455
  H      -0.843449      0.637024      3.288857
  H      -2.699760      1.363481      2.543082
  H      -3.959153      2.683305      1.332732
  H      -9.251949      8.906080      5.132798
  H      -7.962702     10.041712      4.667745
  H      -9.431575      9.892190      3.649367
  H      -6.969079      8.416824      5.959339
  H      -5.632897      7.701480      7.603753
  H      -2.973637      5.696656      7.115068
  H      -4.286004      4.801549      7.861351
  H      -5.319352      4.524530      3.349578
  H      -7.607044      6.791488      1.846891
  H     -10.221441      5.203956      1.791112
  H     -11.470433      4.185636      2.597206
  H     -11.695840      5.950053      2.440717
  H      -9.357204      5.517617      6.355229
  H      -7.042262      3.440678      8.069836
  H      -5.315068      1.579942      4.529803
  H      -5.917749      0.202661      5.447720
  H      -7.396716      1.658847      3.944472
  H      -9.875323      3.340719      2.254796
  N      -1.767302      3.017472      4.184378
  H      -0.936489      2.693935      3.694705
  H      -2.228147      3.776289      3.683111
95
Coordinates from ORCA-job orca E -6661.028694305628
  N      -1.038479      0.890224      5.422230
  Mo     -2.549691      2.190805      5.856043
  N      -4.072463      0.951322      6.090455
  C      -4.063067     -0.096383      7.120254
  C      -2.660599     -0.248424      7.677793
  N      -2.023702      1.095994      7.764101
  C      -0.544276      1.007285      7.779398
  C      -0.079846      0.469490      6.434210
  C      -2.524628      1.868906      8.932098
  C      -2.287129      3.338114      8.649176
  N      -2.684857      3.570025      7.259549
  H       0.935243      0.853060      6.218981
  H      -0.001720     -0.631279      6.448547
  H      -0.160406      2.023398      7.939139
  H      -0.202849      0.373945      8.614688
  H      -2.907186      3.942702      9.329505
  H      -1.239509      3.638817      8.820544
  H      -3.604915      1.690708      9.007189
  H      -2.035050      1.520395      9.856549
  H      -4.384318     -1.057252      6.680209
  H      -4.794003      0.156627      7.907012
  H      -2.064228     -0.858422      6.992939
  H      -2.655901     -0.728218      8.669461
  C      -7.212539      1.301600      0.039447
  C      -7.101961      0.307324      1.161291
  O      -8.075175     -0.338071      1.535037
  C      -5.775973      0.081562      1.852943
  C      -5.651733     -1.111397      2.565931
  C      -4.492716     -1.438978      3.276019
  O      -4.466060     -2.589711      3.971192
  C      -3.389871     -0.533840      3.264559
  C      -2.218492     -0.843408      4.073209
  O      -2.165895     -1.897440      4.747539
  C      -1.007209      0.095087      4.194187
  C      -3.517269      0.664619      2.533837
  C      -4.683260      0.988826      1.851503
  O      -4.814414      2.190602      1.205568
  C      -8.683739      9.377280      4.250733
  C      -8.069911      8.262790      3.458999
  O      -8.426630      8.064094      2.280386
  C      -7.065565      7.371650      4.076445
  C      -6.565973      7.600709      5.367605
  C      -5.622977      6.758322      5.947247
  O      -5.115533      6.992846      7.189992
  C      -5.177216      5.609823      5.232607
  C      -4.252444      4.633887      5.781274
  O      -4.015705      3.574446      5.120544
  C      -3.541575      4.731232      7.081880
  C      -5.682864      5.375147      3.939999
  C      -6.598235      6.237613      3.343889
  O      -7.035934      5.968255      2.103622
  C     -11.016546      5.153380      2.642841
  C     -10.299816      5.420769      3.944599
  O     -10.478795      6.487098      4.527508
  C      -9.347278      4.412059      4.526950
  C      -8.911227      4.690923      5.828315
  C      -7.964580      3.907692      6.481056
  O      -7.593817      4.241996      7.734808
  C      -7.373353      2.815543      5.781026
  C      -6.244106      2.113298      6.391712
  O      -5.919342      2.331742      7.577080
  C      -5.392650      1.171154      5.538135
  C      -7.833470      2.511659      4.489613
  C      -8.823644      3.265461      3.862975
  O      -9.168972      2.838373      2.615672
  H      -7.280095      2.312079      0.471557
  H      -8.126657      1.092681     -0.527712
  H      -6.331950      1.292682     -0.615978
  H      -6.497765     -1.799360      2.582968
  H      -3.548694     -2.616889      4.395450
  H      -0.151543     -0.596604      4.246182
  H      -0.851304      0.713276      3.295783
  H      -2.705789      1.393395      2.547282
  H      -3.999513      2.705624      1.350052
  H      -9.255036      8.952090      5.090499
  H      -7.917954     10.048552      4.666147
  H      -9.361457      9.945371      3.605645
  H      -6.919862      8.461966      5.937170
  H      -5.551932      7.777579      7.570851
  H      -2.985161      5.687526      7.144032
  H      -4.301712      4.793203      7.884482
  H      -5.358662      4.492249      3.390633
  H      -7.679643      6.727971      1.892227
  H     -10.300756      5.172400      1.802660
  H     -11.543038      4.184082      2.655286
  H     -11.751446      5.947512      2.471366
  H      -9.323688      5.563513      6.334773
  H      -6.905892      3.558883      7.994309
  H      -5.312572      1.584721      4.525348
  H      -5.937213      0.212625      5.437105
  H      -7.438728      1.654558      3.944696
  H      -9.957416      3.308814      2.292076
  N      -1.777331      3.018013      4.207272
  H      -0.942591      2.699801      3.721025
  H      -2.236438      3.779442      3.708650
95
Coordinates from ORCA-job orca E -6661.028674476539
  N      -1.052217      0.903943      5.406641
  Mo     -2.564050      2.196518      5.861096
  N      -4.076708      0.947661      6.088320
  C      -4.065561     -0.097387      7.119704
  C      -2.660020     -0.253894      7.671701
  N      -2.018867      1.088260      7.757538
  C      -0.539041      0.993298      7.760424
  C      -0.089461      0.466797      6.406158
  C      -2.508055      1.853413      8.936292
  C      -2.271564      3.324349      8.659858
  N      -2.685835      3.565454      7.276822
  H       0.926304      0.845948      6.184956
  H      -0.018205     -0.634940      6.410514
  H      -0.147386      2.004895      7.930096
  H      -0.195717      0.346871      8.584849
  H      -2.879239      3.927349      9.352800
  H      -1.220497      3.619874      8.818131
  H      -3.587826      1.675828      9.020078
  H      -2.010736      1.497032      9.853380
  H      -4.392084     -1.060086      6.686538
  H      -4.790184      0.161792      7.910196
  H      -2.066821     -0.867988      6.987126
  H      -2.655649     -0.732090      8.664301
  C      -7.291433      1.180439      0.082328
  C      -7.156312      0.238183      1.245031
  O      -8.119449     -0.392249      1.667183
  C      -5.810849      0.030074      1.905280
  C      -5.671492     -1.135477      2.659210
  C      -4.492697     -1.443396      3.346502
  O      -4.447252     -2.568859      4.079686
  C      -3.389593     -0.540969      3.273301
  C      -2.191038     -0.823531      4.051498
  O      -2.099445     -1.869300      4.735290
  C      -1.007657      0.152163      4.154173
  C      -3.534697      0.631338      2.503738
  C      -4.714809      0.931438      1.835910
  O      -4.857433      2.102104      1.138915
  C      -8.739402      9.380857      4.411876
  C      -8.155316      8.258001      3.609898
  O      -8.556909      8.043865      2.448623
  C      -7.119971      7.380338      4.193424
  C      -6.574266      7.616854      5.464396
  C      -5.612434      6.776341      6.015669
  O      -5.052469      7.020525      7.233553
  C      -5.198032      5.621522      5.294119
  C      -4.269588      4.639540      5.824004
  O      -4.041497      3.584693      5.153377
  C      -3.545078      4.727410      7.117055
  C      -5.743233      5.384515      4.017789
  C      -6.672414      6.248744      3.446480
  O      -7.136081      5.989164      2.213533
  C     -10.898663      5.172858      2.460654
  C     -10.194641      5.461320      3.764569
  O     -10.351053      6.550874      4.310737
  C      -9.271848      4.448774      4.386655
  C      -8.846067      4.752234      5.685691
  C      -7.925977      3.965244      6.371264
  O      -7.567108      4.322558      7.621362
  C      -7.348587      2.842636      5.707205
  C      -6.243698      2.129916      6.351194
  O      -5.921417      2.377606      7.531480
  C      -5.394571      1.162064      5.524813
  C      -7.797384      2.516811      4.417042
  C      -8.764680      3.274250      3.759651
  O      -9.100829      2.822807      2.518207
  H      -7.331377      2.212241      0.464711
  H      -8.224724      0.956763     -0.446446
  H      -6.430950      1.127080     -0.597589
  H      -6.519151     -1.818466      2.724279
  H      -3.521951     -2.578219      4.488646
  H      -0.118804     -0.498210      4.158889
  H      -0.918866      0.807095      3.273118
  H      -2.720177      1.355361      2.470034
  H      -4.033637      2.615884      1.222399
  H      -9.268315      8.962007      5.282211
  H      -7.960140     10.062003      4.783613
  H      -9.449292      9.936167      3.790878
  H      -6.905778      8.482504      6.040464
  H      -5.467420      7.812215      7.623802
  H      -2.990274      5.684945      7.176668
  H      -4.293553      4.784026      7.931453
  H      -5.436470      4.500478      3.460452
  H      -7.758096      6.768044      2.008821
  H     -10.169554      5.146948      1.632437
  H     -11.448278      4.216903      2.494387
  H     -11.612006      5.978309      2.254673
  H      -9.245610      5.646348      6.163955
  H      -6.888888      3.636998      7.904061
  H      -5.307391      1.555224      4.504395
  H      -5.942152      0.203800      5.439144
  H      -7.412327      1.638704      3.899082
  H      -9.883414      3.289289      2.175365
  N      -1.803664      3.046085      4.217481
  H      -0.963288      2.745860      3.729869
  H      -2.267550      3.812046      3.730542
95
Coordinates from ORCA-job orca E -6661.030165543065
  N      -1.037333      0.913305      5.404670
  Mo     -2.564976      2.194737      5.843503
  N      -4.075586      0.937661      6.025391
  C      -4.080123     -0.114139      7.048708
  C      -2.683906     -0.275208      7.622648
  N      -2.046564      1.068463      7.736050
  C      -0.566043      0.972391      7.764263
  C      -0.096918      0.455080      6.414733
  C      -2.558970      1.820917      8.913492
  C      -2.325290      3.295791      8.654564
  N      -2.724558      3.549809      7.268965
  H       0.925892      0.826088      6.213264
  H      -0.037506     -0.647712      6.409706
  H      -0.174050      1.980616      7.951116
  H      -0.239830      0.317212      8.588652
  H      -2.938969      3.891300      9.348544
  H      -1.275889      3.590446      8.824339
  H      -3.638996      1.636843      8.979131
  H      -2.074947      1.458145      9.835329
  H      -4.408682     -1.073824      6.610963
  H      -4.809297      0.151582      7.833149
  H      -2.074359     -0.882212      6.945681
  H      -2.700240     -0.764219      8.609809
  C      -7.257624      1.132550      0.103593
  C      -7.123993      0.243104      1.307676
  O      -8.091043     -0.356749      1.764052
  C      -5.772029      0.034640      1.955270
  C      -5.638443     -1.108484      2.744014
  C      -4.449843     -1.419476      3.413273
  O      -4.408027     -2.526294      4.171886
  C      -3.335210     -0.533964      3.296154
  C      -2.115587     -0.808610      4.047727
  O      -1.994329     -1.852768      4.729189
  C      -0.958129      0.195281      4.137049
  C      -3.476832      0.616991      2.494515
  C      -4.662274      0.913071      1.835089
  O      -4.797874      2.060170      1.098403
  C      -8.680777      9.393370      4.270378
  C      -8.074002      8.281143      3.469858
  O      -8.419742      8.104741      2.284585
  C      -7.069079      7.384790      4.079644
  C      -6.592390      7.592780      5.382892
  C      -5.660202      6.741586      5.966938
  O      -5.173055      6.953253      7.221037
  C      -5.201358      5.606793      5.242570
  C      -4.286331      4.624905      5.793808
  O      -4.031395      3.580459      5.116978
  C      -3.595508      4.703507      7.106698
  C      -5.680859      5.393058      3.935833
  C      -6.580865      6.266923      3.333072
  O      -6.969606      6.029889      2.069930
  C     -11.014956      5.225306      2.655447
  C     -10.315795      5.464089      3.972277
  O     -10.531666      6.501233      4.593700
  C      -9.340464      4.460806      4.523325
  C      -8.922147      4.694693      5.839211
  C      -7.965617      3.903640      6.468384
  O      -7.618897      4.188997      7.740303
  C      -7.352633      2.845343      5.732376
  C      -6.231546      2.119574      6.332997
  O      -5.898094      2.321222      7.519482
  C      -5.391734      1.178431      5.468195
  C      -7.789177      2.592313      4.422150
  C      -8.781549      3.359008      3.815447
  O      -9.090307      2.995676      2.539032
  H      -7.278950      2.181770      0.437313
  H      -8.200764      0.899360     -0.403381
  H      -6.406006      1.034609     -0.581483
  H      -6.496113     -1.774719      2.843130
  H      -3.478811     -2.534440      4.571337
  H      -0.037967     -0.408956      4.107229
  H      -0.934516      0.876357      3.272923
  H      -2.648443      1.321463      2.421096
  H      -3.958631      2.554225      1.131772
  H      -9.252350      8.965550      5.108513
  H      -7.910660     10.056348      4.690384
  H      -9.355584      9.970894      3.630671
  H      -6.959371      8.442986      5.960809
  H      -5.615165      7.731236      7.609370
  H      -3.052883      5.665213      7.194647
  H      -4.363869      4.739767      7.903833
  H      -5.339334      4.523048      3.376829
  H      -7.568186      6.820031      1.835309
  H     -10.289918      5.286256      1.825829
  H     -11.519766      4.244446      2.629945
  H     -11.767778      6.006570      2.503906
  H      -9.357649      5.536495      6.377140
  H      -6.919157      3.503121      7.977792
  H      -5.305163      1.605114      4.461193
  H      -5.945357      0.226597      5.352268
  H      -7.366933      1.771794      3.842056
  H      -9.881142      3.469373      2.226070
  N      -1.777199      3.073047      4.228215
  H      -0.918528      2.793808      3.761316
  H      -2.235564      3.844177      3.744542
95
Coordinates from ORCA-job orca E -6661.030699472164
  N      -1.062876      0.891595      5.412784
  Mo     -2.572861      2.196932      5.856075
  N      -4.104344      0.968239      6.069192
  C      -4.121451     -0.064871      7.110884
  C      -2.722854     -0.250918      7.666182
  N      -2.053395      1.079664      7.754271
  C      -0.576239      0.947116      7.767663
  C      -0.132257      0.408263      6.419318
  C      -2.532977      1.857354      8.928661
  C      -2.274591      3.323394      8.648727
  N      -2.694495      3.569927      7.268027
  H       0.899069      0.748824      6.209481
  H      -0.105186     -0.695741      6.416118
  H      -0.158010      1.946871      7.941829
  H      -0.258665      0.292098      8.595509
  H      -2.862850      3.938709      9.347143
  H      -1.216160      3.598501      8.794884
  H      -3.615207      1.695431      9.012742
  H      -2.042515      1.496881      9.848231
  H      -4.482284     -1.021823      6.694813
  H      -4.830601      0.235702      7.901182
  H      -2.135829     -0.878978      6.988974
  H      -2.737421     -0.728456      8.658830
  C      -7.251813      1.045016      0.058431
  C      -7.094005      0.107754      1.223326
  O      -8.044731     -0.536681      1.652759
  C      -5.745608     -0.062223      1.887934
  C      -5.563831     -1.237935      2.617650
  C      -4.369444     -1.522904      3.286672
  O      -4.270379     -2.674148      3.971595
  C      -3.305842     -0.572780      3.244046
  C      -2.090702     -0.831441      4.009844
  O      -1.946859     -1.898508      4.649318
  C      -0.962225      0.199857      4.130935
  C      -3.495131      0.612649      2.504565
  C      -4.684270      0.879649      1.838110
  O      -4.874206      2.059923      1.168496
  C      -8.685680      9.407921      4.313776
  C      -8.062585      8.308208      3.507405
  O      -8.408771      8.127926      2.322870
  C      -7.057228      7.412314      4.115048
  C      -6.573727      7.617845      5.415925
  C      -5.635713      6.766786      5.990274
  O      -5.157130      6.964565      7.250030
  C      -5.172267      5.638717      5.256050
  C      -4.254393      4.655141      5.800580
  O      -4.021159      3.599980      5.131037
  C      -3.550575      4.734016      7.106957
  C      -5.660832      5.427755      3.952019
  C      -6.574582      6.296945      3.363465
  O      -6.999416      6.048516      2.113960
  C     -11.028122      5.225204      2.623249
  C     -10.316679      5.491360      3.928743
  O     -10.542893      6.532231      4.539626
  C      -9.353277      4.491189      4.505842
  C      -8.943707      4.748326      5.820519
  C      -7.993788      3.966567      6.471437
  O      -7.659716      4.269257      7.742900
  C      -7.376070      2.896507      5.757286
  C      -6.243073      2.195487      6.363165
  O      -5.905110      2.419457      7.545047
  C      -5.420967      1.220414      5.519163
  C      -7.810954      2.614719      4.452803
  C      -8.796959      3.371248      3.824616
  O      -9.097858      2.984571      2.552836
  H      -7.330059      2.074635      0.440969
  H      -8.176488      0.792348     -0.472963
  H      -6.387443      1.020005     -0.616653
  H      -6.384991     -1.954327      2.662185
  H      -3.336625     -2.668648      4.358248
  H      -0.023578     -0.374029      4.087220
  H      -0.958082      0.901392      3.286013
  H      -2.706628      1.365322      2.488590
  H      -4.061009      2.592331      1.241292
  H      -9.252044      8.973266      5.151930
  H      -7.923819     10.079803      4.734690
  H      -9.367662      9.978719      3.675473
  H      -6.944929      8.460942      6.001629
  H      -5.608043      7.733020      7.647222
  H      -2.992461      5.687207      7.186079
  H      -4.311809      4.785364      7.909477
  H      -5.325667      4.557474      3.389738
  H      -7.635212      6.814937      1.904909
  H     -10.311467      5.278978      1.785678
  H     -11.528024      4.241489      2.618030
  H     -11.786378      5.999979      2.465464
  H      -9.380906      5.601175      6.339666
  H      -6.981728      3.568642      8.003292
  H      -5.334392      1.619129      4.501564
  H      -5.991699      0.276039      5.429846
  H      -7.383491      1.786448      3.888519
  H      -9.881045      3.461359      2.225648
  N      -1.795817      3.044720      4.220369
  H      -0.937684      2.760244      3.755373
  H      -2.254425      3.811530      3.730352
95
Coordinates from ORCA-job orca E -6661.031089033341
  N      -1.035508      0.910604      5.390651
  Mo     -2.550648      2.210886      5.835982
  N      -4.089227      0.980419      6.000061
  C      -4.128655     -0.062625      7.030453
  C      -2.739883     -0.268382      7.600477
  N      -2.063271      1.055073      7.721377
  C      -0.589110      0.906939      7.753820
  C      -0.136168      0.383995      6.403751
  C      -2.550926      1.815781      8.904119
  C      -2.279805      3.284417      8.649081
  N      -2.691163      3.554782      7.270949
  H       0.906792      0.701016      6.215023
  H      -0.137332     -0.720225      6.379710
  H      -0.160863      1.898454      7.950686
  H      -0.291803      0.233162      8.574347
  H      -2.864804      3.893955      9.355503
  H      -1.219537      3.547047      8.803469
  H      -3.634700      1.658846      8.974389
  H      -2.072357      1.437671      9.822758
  H      -4.492320     -1.012651      6.600589
  H      -4.844378      0.235297      7.816027
  H      -2.146245     -0.889141      6.921271
  H      -2.771725     -0.763285      8.584391
  C      -7.397836      1.057149      0.330306
  C      -7.163657      0.094695      1.460712
  O      -8.086339     -0.552463      1.943812
  C      -5.778539     -0.070473      2.047401
  C      -5.555957     -1.239067      2.778681
  C      -4.326733     -1.516878      3.384591
  O      -4.182856     -2.659715      4.077227
  C      -3.270839     -0.566230      3.278306
  C      -2.021711     -0.820749      3.989526
  O      -1.856116     -1.880878      4.635026
  C      -0.918439      0.239099      4.099540
  C      -3.501011      0.613386      2.541032
  C      -4.721869      0.870770      1.929946
  O      -4.945424      2.041894      1.255421
  C      -8.715298      9.396503      4.385004
  C      -8.074052      8.316165      3.566700
  O      -8.424008      8.137074      2.382838
  C      -7.059751      7.425083      4.164451
  C      -6.566872      7.624733      5.463032
  C      -5.619149      6.774702      6.023736
  O      -5.126769      6.970512      7.278741
  C      -5.155287      5.654544      5.276771
  C      -4.237552      4.665062      5.809172
  O      -3.989207      3.626007      5.118584
  C      -3.550498      4.718420      7.125245
  C      -5.649002      5.454416      3.973094
  C      -6.575365      6.320346      3.400661
  O      -7.012312      6.080039      2.153827
  C     -10.980202      5.230354      2.470727
  C     -10.314736      5.473918      3.804678
  O     -10.547540      6.513240      4.415698
  C      -9.347576      4.477644      4.384170
  C      -8.947269      4.735755      5.701151
  C      -7.994687      3.960905      6.355827
  O      -7.654430      4.274158      7.622674
  C      -7.369038      2.893510      5.646274
  C      -6.244760      2.193086      6.266930
  O      -5.924676      2.421357      7.453131
  C      -5.394870      1.238573      5.426836
  C      -7.792522      2.610685      4.337960
  C      -8.779643      3.361726      3.704591
  O      -9.074076      2.969919      2.432549
  H      -7.419001      2.082235      0.732194
  H      -8.368224      0.831880     -0.126088
  H      -6.592359      1.023999     -0.414712
  H      -6.374224     -1.953469      2.876095
  H      -3.228610     -2.647092      4.408847
  H       0.040034     -0.298218      4.033932
  H      -0.960412      0.952304      3.267957
  H      -2.718800      1.369076      2.479854
  H      -4.126698      2.570246      1.266638
  H      -9.275997      8.943576      5.217495
  H      -7.964600     10.075032      4.815500
  H      -9.405611      9.963797      3.752727
  H      -6.935461      8.463264      6.056462
  H      -5.576930      7.735155      7.683707
  H      -2.998403      5.672841      7.232102
  H      -4.321038      4.746295      7.919538
  H      -5.310638      4.592369      3.399938
  H      -7.659296      6.840450      1.961362
  H     -10.235031      5.281341      1.658217
  H     -11.491752      4.253161      2.439768
  H     -11.723318      6.015606      2.294661
  H      -9.390753      5.587538      6.216783
  H      -6.949473      3.598845      7.873338
  H      -5.288497      1.657439      4.419224
  H      -5.957812      0.293257      5.304941
  H      -7.358834      1.783224      3.777457
  H      -9.851430      3.450038      2.096453
  N      -1.748275      3.098686      4.233678
  H      -0.866224      2.846529      3.795073
  H      -2.200112      3.875195      3.753075
95
Coordinates from ORCA-job orca E -6661.030933066400
  N      -1.049324      0.930004      5.385909
  Mo     -2.559990      2.237299      5.840600
  N      -4.105541      1.013516      5.993551
  C      -4.153772     -0.033227      7.019708
  C      -2.766411     -0.254071      7.585360
  N      -2.077292      1.063732      7.716053
  C      -0.604387      0.898258      7.746635
  C      -0.165095      0.371954      6.395334
  C      -2.554165      1.822746      8.904232
  C      -2.268148      3.289545      8.656535
  N      -2.688298      3.573609      7.283999
  H       0.886160      0.659282      6.205275
  H      -0.198215     -0.731873      6.363585
  H      -0.162362      1.883649      7.944238
  H      -0.315594      0.218913      8.565545
  H      -2.838655      3.901961      9.372112
  H      -1.203038      3.537942      8.801625
  H      -3.639258      1.676224      8.977778
  H      -2.076051      1.434738      9.818989
  H      -4.530515     -0.977395      6.588076
  H      -4.862492      0.272363      7.808999
  H      -2.178101     -0.872532      6.899954
  H      -2.800925     -0.758521      8.564248
  C      -7.248568      0.704839      0.006857
  C      -7.089518     -0.057382      1.292793
  O      -8.043011     -0.622194      1.818093
  C      -5.729575     -0.178170      1.943527
  C      -5.549458     -1.270842      2.793599
  C      -4.339936     -1.510357      3.453292
  O      -4.237830     -2.583765      4.255272
  C      -3.262606     -0.591732      3.282199
  C      -2.021395     -0.813467      4.020502
  O      -1.860034     -1.844861      4.712063
  C      -0.927980      0.256507      4.095862
  C      -3.456706      0.520389      2.436653
  C      -4.655616      0.733489      1.768236
  O      -4.842987      1.838878      0.980231
  C      -8.734171      9.430496      4.509514
  C      -8.136001      8.335732      3.678831
  O      -8.540032      8.146470      2.513631
  C      -7.093395      7.453587      4.243061
  C      -6.569206      7.659497      5.528588
  C      -5.607885      6.813207      6.070936
  O      -5.085395      7.016651      7.312714
  C      -5.159838      5.689780      5.318547
  C      -4.238576      4.696870      5.838807
  O      -3.993550      3.662882      5.138525
  C      -3.546771      4.738785      7.152838
  C      -5.677662      5.487293      4.024750
  C      -6.617459      6.350007      3.469076
  O      -7.067344      6.109564      2.227487
  C     -11.010612      5.307008      2.530976
  C     -10.332027      5.543447      3.859883
  O     -10.532004      6.594893      4.462261
  C      -9.365095      4.539871      4.427082
  C      -8.946358      4.795113      5.739063
  C      -7.985974      4.017932      6.379342
  O      -7.611072      4.341684      7.633916
  C      -7.377991      2.946041      5.662654
  C      -6.256081      2.235183      6.273924
  O      -5.934520      2.451171      7.462058
  C      -5.410678      1.285678      5.425643
  C      -7.820653      2.665306      4.360350
  C      -8.812899      3.420473      3.740274
  O      -9.132559      3.024950      2.474839
  H      -7.284567      1.781029      0.234373
  H      -8.194096      0.408715     -0.461553
  H      -6.402370      0.549842     -0.674964
  H      -6.382927     -1.959574      2.936559
  H      -3.293524     -2.553724      4.614622
  H       0.041507     -0.260227      4.021716
  H      -0.999743      0.961874      3.260982
  H      -2.659753      1.255476      2.324184
  H      -4.012401      2.348031      0.955820
  H      -9.253996      8.994449      5.376314
  H      -7.961102     10.114312      4.889949
  H      -9.453392      9.989230      3.902213
  H      -6.929306      8.496896      6.129089
  H      -5.529563      7.780194      7.726305
  H      -2.993986      5.691769      7.270628
  H      -4.316106      4.756795      7.948369
  H      -5.349647      4.624035      3.447307
  H      -7.708686      6.877088      2.038401
  H     -10.271259      5.352693      1.712128
  H     -11.532344      4.335355      2.503194
  H     -11.746420      6.100391      2.360673
  H      -9.375126      5.651690      6.259206
  H      -6.878865      3.688258      7.859031
  H      -5.300215      1.710783      4.421017
  H      -5.980488      0.345588      5.295346
  H      -7.400472      1.835086      3.794447
  H      -9.915209      3.506559      2.152465
  N      -1.757163      3.133834      4.243719
  H      -0.869953      2.892261      3.809541
  H      -2.206216      3.917886      3.773511
95
Coordinates from ORCA-job orca E -6661.031735179236
  N      -1.050669      0.911389      5.395023
  Mo     -2.576376      2.205589      5.835553
  N      -4.116652      0.978453      6.011029
  C      -4.158362     -0.056666      7.049451
  C      -2.770010     -0.265289      7.616541
  N      -2.085667      1.055976      7.726052
  C      -0.612301      0.893697      7.759552
  C      -0.167007      0.363478      6.411142
  C      -2.565109      1.828707      8.905025
  C      -2.287520      3.294370      8.638210
  N      -2.708196      3.559350      7.261903
  H       0.882498      0.658359      6.222351
  H      -0.191033     -0.740548      6.383867
  H      -0.172801      1.880709      7.954928
  H      -0.323670      0.217767      8.581345
  H      -2.863005      3.911978      9.345440
  H      -1.224366      3.551444      8.782035
  H      -3.649507      1.677954      8.981034
  H      -2.084803      1.455037      9.824459
  H      -4.530069     -1.007692      6.627920
  H      -4.868465      0.252791      7.835687
  H      -2.181190     -0.893720      6.940987
  H      -2.801599     -0.753148      8.603992
  C      -7.244989      0.894894      0.094216
  C      -7.074626      0.069467      1.339002
  O      -8.024265     -0.515314      1.849168
  C      -5.706544     -0.091798      1.962646
  C      -5.520984     -1.226185      2.753932
  C      -4.306113     -1.500892      3.390246
  O      -4.204283     -2.615691      4.133170
  C      -3.227449     -0.573832      3.257486
  C      -1.982744     -0.815794      3.985553
  O      -1.806586     -1.871131      4.637373
  C      -0.898897      0.260834      4.096477
  C      -3.427634      0.576971      2.466766
  C      -4.631109      0.823383      1.818834
  O      -4.822831      1.962672      1.082386
  C      -8.686948      9.435598      4.359158
  C      -8.107322      8.307040      3.561430
  O      -8.480746      8.117759      2.386130
  C      -7.092399      7.413376      4.155893
  C      -6.584801      7.624629      5.447365
  C      -5.640674      6.772584      6.010851
  O      -5.133365      6.979486      7.258055
  C      -5.192256      5.640187      5.274023
  C      -4.269343      4.656395      5.807078
  O      -4.022417      3.614476      5.120674
  C      -3.570020      4.721023      7.116307
  C      -5.701174      5.426547      3.978207
  C      -6.623326      6.294162      3.401264
  O      -7.057726      6.049489      2.154695
  C     -11.022066      5.296856      2.608934
  C     -10.334893      5.531971      3.933098
  O     -10.564389      6.562690      4.560249
  C      -9.364129      4.527331      4.491689
  C      -8.945140      4.772962      5.805064
  C      -7.990957      3.985947      6.442949
  O      -7.641771      4.284075      7.710900
  C      -7.382999      2.917179      5.717292
  C      -6.255193      2.201798      6.314295
  O      -5.899992      2.431324      7.490424
  C      -5.428064      1.245137      5.455781
  C      -7.825215      2.648684      4.412042
  C      -8.813369      3.412809      3.796608
  O      -9.130637      3.030456      2.526443
  H      -7.256931      1.960041      0.371406
  H      -8.203524      0.636248     -0.369577
  H      -6.413793      0.757451     -0.609713
  H      -6.355109     -1.919074      2.870383
  H      -3.253592     -2.613654      4.481103
  H       0.078015     -0.243259      4.029122
  H      -0.966451      0.983267      3.275067
  H      -2.632019      1.317829      2.383963
  H      -3.992431      2.472605      1.071487
  H      -9.241457      9.030708      5.219420
  H      -7.900837     10.099397      4.748034
  H      -9.372491     10.007761      3.726048
  H      -6.939016      8.474994      6.032861
  H      -5.573074      7.752484      7.658601
  H      -3.017684      5.676613      7.211240
  H      -4.333305      4.753628      7.917896
  H      -5.371001      4.557347      3.411420
  H      -7.680127      6.827849      1.946447
  H     -10.292865      5.371380      1.783533
  H     -11.518662      4.312367      2.572882
  H     -11.778772      6.074296      2.457166
  H      -9.378241      5.622116      6.333421
  H      -6.948159      3.594161      7.955043
  H      -5.334701      1.664706      4.446717
  H      -5.999243      0.303530      5.341972
  H      -7.406023      1.821238      3.840498
  H      -9.902992      3.525897      2.200591
  N      -1.793527      3.075339      4.214539
  H      -0.913318      2.823396      3.771870
  H      -2.252296      3.845406      3.730560
95
Coordinates from ORCA-job orca E -6661.032156788967
  N      -1.031513      0.942232      5.370357
  Mo     -2.557247      2.236137      5.824538
  N      -4.107232      1.016135      5.967339
  C      -4.167134     -0.030172      6.993742
  C      -2.783943     -0.262584      7.562438
  N      -2.087059      1.050505      7.697717
  C      -0.614781      0.875346      7.736065
  C      -0.170584      0.355039      6.384832
  C      -2.565505      1.808275      8.886554
  C      -2.273250      3.274771      8.644078
  N      -2.693391      3.566011      7.272696
  H       0.887884      0.622731      6.207211
  H      -0.225046     -0.747340      6.339092
  H      -0.168292      1.857289      7.940514
  H      -0.335150      0.190561      8.553530
  H      -2.840663      3.886722      9.362534
  H      -1.207146      3.517886      8.789370
  H      -3.651568      1.665790      8.955477
  H      -2.092517      1.415996      9.802180
  H      -4.550444     -0.970262      6.559195
  H      -4.875857      0.280404      7.780708
  H      -2.198101     -0.883589      6.877451
  H      -2.823703     -0.768718      8.540220
  C      -7.356352      0.726759      0.229650
  C      -7.130095     -0.079531      1.478575
  O      -8.054825     -0.655685      2.041364
  C      -5.741854     -0.195374      2.063930
  C      -5.487791     -1.333995      2.829638
  C      -4.244115     -1.566705      3.424859
  O      -4.068632     -2.689669      4.141741
  C      -3.210918     -0.593620      3.280691
  C      -1.942161     -0.808329      3.974938
  O      -1.724048     -1.871128      4.601198
  C      -0.882997      0.293291      4.068619
  C      -3.478181      0.559586      2.513561
  C      -4.710288      0.765793      1.905735
  O      -4.975893      1.909129      1.198261
  C      -8.692153      9.459782      4.435775
  C      -8.074948      8.367334      3.615700
  O      -8.427379      8.200986      2.430544
  C      -7.066768      7.464879      4.207147
  C      -6.591843      7.639617      5.516340
  C      -5.651191      6.779790      6.073492
  O      -5.183589      6.944989      7.342316
  C      -5.169696      5.678884      5.309347
  C      -4.247029      4.688388      5.830387
  O      -3.989703      3.662347      5.123693
  C      -3.563274      4.724230      7.149135
  C      -5.647841      5.501115      3.996583
  C      -6.571027      6.373935      3.429360
  O      -6.990171      6.154311      2.172781
  C     -11.007800      5.322379      2.507780
  C     -10.334111      5.550222      3.840270
  O     -10.579385      6.572072      4.475408
  C      -9.361827      4.547752      4.400086
  C      -8.975168      4.773835      5.727034
  C      -8.019660      3.991999      6.369076
  O      -7.694016      4.277086      7.646540
  C      -7.381682      2.945732      5.637479
  C      -6.253705      2.239104      6.243672
  O      -5.935599      2.441693      7.435565
  C      -5.408214      1.292200      5.392356
  C      -7.792378      2.694951      4.318542
  C      -8.776272      3.457573      3.694677
  O      -9.048097      3.105569      2.405669
  H      -7.421405      1.791781      0.501567
  H      -8.306711      0.417557     -0.220075
  H      -6.528207      0.627535     -0.483642
  H      -6.288201     -2.063580      2.957997
  H      -3.105765     -2.655175      4.448593
  H       0.105584     -0.184282      3.984094
  H      -0.982238      1.014811      3.250756
  H      -2.717485      1.334670      2.421616
  H      -4.166301      2.450733      1.164443
  H      -9.250066      9.022797      5.277940
  H      -7.925674     10.129634      4.852312
  H      -9.380555     10.033954      3.807522
  H      -6.972560      8.464170      6.121897
  H      -5.648555      7.693675      7.760282
  H      -3.019424      5.680237      7.278382
  H      -4.337152      4.727986      7.941031
  H      -5.298158      4.652141      3.411266
  H      -7.640034      6.915051      1.985795
  H     -10.272038      5.417902      1.690571
  H     -11.493086      4.333012      2.453844
  H     -11.772324      6.092767      2.358861
  H      -9.431944      5.606499      6.261849
  H      -6.993127      3.594258      7.890390
  H      -5.293968      1.720331      4.389487
  H      -5.978825      0.352885      5.257380
  H      -7.346049      1.887746      3.738752
  H      -9.813454      3.604434      2.068996
  N      -1.760896      3.130878      4.224547
  H      -0.865845      2.901874      3.800056
  H      -2.210507      3.916882      3.757813
95
Coordinates from ORCA-job orca E -6661.032384584426
  N      -1.030884      0.936863      5.368896
  Mo     -2.558025      2.232310      5.821169
  N      -4.120251      1.026341      5.964478
  C      -4.191442     -0.019084      6.990747
  C      -2.811389     -0.266179      7.559205
  N      -2.101461      1.039113      7.694969
  C      -0.632023      0.846141      7.738039
  C      -0.189280      0.326769      6.386928
  C      -2.573097      1.802331      8.883357
  C      -2.263904      3.265548      8.639899
  N      -2.683432      3.561611      7.269384
  H       0.874771      0.576449      6.216882
  H      -0.262734     -0.774221      6.332551
  H      -0.174299      1.821712      7.948416
  H      -0.364183      0.154257      8.553519
  H      -2.822337      3.884186      9.359767
  H      -1.194766      3.495615      8.783036
  H      -3.660664      1.671837      8.951346
  H      -2.105219      1.405514      9.799621
  H      -4.582983     -0.955236      6.554765
  H      -4.897769      0.297467      7.777314
  H      -2.231459     -0.893255      6.874219
  H      -2.855917     -0.772330      8.536803
  C      -7.370696      0.731156      0.288446
  C      -7.121280     -0.068537      1.537119
  O      -8.034409     -0.644678      2.118445
  C      -5.719552     -0.197071      2.086001
  C      -5.457289     -1.334223      2.851206
  C      -4.205590     -1.568027      3.429629
  O      -4.025258     -2.686237      4.152866
  C      -3.172812     -0.597028      3.268813
  C      -1.894860     -0.810464      3.947202
  O      -1.662898     -1.876581      4.563264
  C      -0.857646      0.308851      4.058580
  C      -3.447776      0.552926      2.500033
  C      -4.686853      0.758818      1.906526
  O      -4.961039      1.899973      1.198627
  C      -8.693942      9.460827      4.474098
  C      -8.084797      8.367610      3.649295
  O      -8.459039      8.192409      2.471849
  C      -7.065438      7.470776      4.229704
  C      -6.573282      7.651747      5.531921
  C      -5.626858      6.793271      6.081722
  O      -5.141418      6.965579      7.343067
  C      -5.157678      5.686909      5.317624
  C      -4.235299      4.693779      5.833261
  O      -3.983283      3.668022      5.124085
  C      -3.546959      4.725229      7.149523
  C      -5.649868      5.505564      4.010748
  C      -6.578466      6.376832      3.450484
  O      -7.008986      6.154389      2.198511
  C     -11.037902      5.297494      2.474733
  C     -10.357630      5.540422      3.801198
  O     -10.601548      6.568155      4.427337
  C      -9.378221      4.546757      4.365109
  C      -8.988603      4.786069      5.688772
  C      -8.029923      4.012363      6.335679
  O      -7.695446      4.313423      7.606914
  C      -7.393532      2.959503      5.613487
  C      -6.267370      2.257851      6.227725
  O      -5.955085      2.468874      7.419752
  C      -5.417202      1.308700      5.383310
  C      -7.804849      2.696790      4.296944
  C      -8.790882      3.452065      3.667653
  O      -9.065549      3.085765      2.382860
  H      -7.425029      1.798144      0.554953
  H      -8.331597      0.422961     -0.139008
  H      -6.557996      0.622908     -0.441533
  H      -6.259177     -2.058579      2.998445
  H      -3.059123     -2.651285      4.450858
  H       0.142172     -0.144567      3.975252
  H      -0.970075      1.040251      3.251637
  H      -2.688087      1.327186      2.393625
  H      -4.150305      2.437950      1.142848
  H      -9.239498      9.024891      5.325074
  H      -7.923679     10.133763      4.878663
  H      -9.392531     10.031114      3.853643
  H      -6.944679      8.480228      6.137787
  H      -5.598524      7.718346      7.762279
  H      -2.997092      5.678201      7.276929
  H      -4.317644      4.732210      7.944267
  H      -5.306412      4.654793      3.424356
  H      -7.654065      6.920005      2.013282
  H     -10.308641      5.389413      1.651221
  H     -11.517978      4.305141      2.433022
  H     -11.806924      6.062970      2.323735
  H      -9.445394      5.623367      6.216332
  H      -6.981856      3.643894      7.849103
  H      -5.296464      1.737942      4.381930
  H      -5.989732      0.371323      5.243176
  H      -7.358274      1.884784      3.724613
  H      -9.820892      3.592777      2.036131
  N      -1.765823      3.116748      4.213753
  H      -0.870801      2.886036      3.789876
  H      -2.214002      3.902880      3.745992
95
Coordinates from ORCA-job orca E -6661.032542165650
  N      -1.028583      0.969868      5.346063
  Mo     -2.573384      2.248375      5.800343
  N      -4.136218      1.042554      5.925716
  C      -4.210917     -0.018830      6.934625
  C      -2.832969     -0.272894      7.504660
  N      -2.125661      1.031420      7.662497
  C      -0.655908      0.838880      7.717018
  C      -0.203251      0.337903      6.363875
  C      -2.606561      1.780826      8.856626
  C      -2.290036      3.245901      8.632630
  N      -2.701057      3.560981      7.263754
  H       0.864594      0.577999      6.204550
  H      -0.286901     -0.761873      6.291619
  H      -0.200501      1.811903      7.943646
  H      -0.395699      0.135269      8.524762
  H      -2.848868      3.858786      9.356950
  H      -1.220521      3.468534      8.783948
  H      -3.695204      1.653172      8.912750
  H      -2.147929      1.370982      9.771655
  H      -4.598044     -0.948563      6.480372
  H      -4.922622      0.281058      7.722820
  H      -2.250397     -0.889007      6.811818
  H      -2.879857     -0.793113      8.474728
  C      -7.403780      0.528115      0.354301
  C      -7.106478     -0.210362      1.629796
  O      -7.994613     -0.763211      2.269896
  C      -5.685395     -0.313289      2.131653
  C      -5.387282     -1.425467      2.918957
  C      -4.119468     -1.621890      3.476874
  O      -3.907471     -2.717796      4.225184
  C      -3.108122     -0.635019      3.271697
  C      -1.814108     -0.802827      3.931995
  O      -1.539988     -1.853150      4.559397
  C      -0.822205      0.355459      4.033094
  C      -3.420487      0.489157      2.478745
  C      -4.673667      0.655024      1.903310
  O      -4.986419      1.772307      1.174153
  C      -8.701885      9.499554      4.531214
  C      -8.103314      8.407442      3.697361
  O      -8.462105      8.261270      2.511045
  C      -7.087411      7.500463      4.268971
  C      -6.598870      7.663717      5.575074
  C      -5.653205      6.798886      6.116042
  O      -5.170398      6.953556      7.380580
  C      -5.180754      5.703969      5.338498
  C      -4.258384      4.705104      5.843116
  O      -4.004351      3.688762      5.121834
  C      -3.570203      4.722155      7.159285
  C      -5.669243      5.539638      4.028085
  C      -6.596327      6.417729      3.475982
  O      -7.020174      6.211968      2.219160
  C     -10.994305      5.407996      2.451794
  C     -10.337685      5.617352      3.795615
  O     -10.591261      6.629415      4.443092
  C      -9.358208      4.614951      4.344123
  C      -8.988192      4.818942      5.679242
  C      -8.041618      4.026034      6.320874
  O      -7.725348      4.294578      7.603795
  C      -7.399694      2.987470      5.582949
  C      -6.290026      2.261392      6.198754
  O      -5.982541      2.457580      7.394422
  C      -5.432144      1.329052      5.343462
  C      -7.789505      2.762495      4.252838
  C      -8.760085      3.539750      3.626422
  O      -9.015370      3.207183      2.328148
  H      -7.470710      1.604730      0.573931
  H      -8.369451      0.184467     -0.033686
  H      -6.607937      0.400609     -0.391376
  H      -6.173023     -2.158128      3.106319
  H      -2.934465     -2.661112      4.502671
  H       0.196806     -0.055999      3.957514
  H      -0.960466      1.081647      3.226259
  H      -2.680883      1.279052      2.340704
  H      -4.187813      2.322368      1.077590
  H      -9.252468      9.060602      5.377394
  H      -7.924786     10.160163      4.943315
  H      -9.393605     10.083440      3.915809
  H      -6.970246      8.485606      6.189967
  H      -5.627176      7.701213      7.809158
  H      -3.025299      5.677061      7.295954
  H      -4.338742      4.715750      7.955953
  H      -5.323275      4.697110      3.431345
  H      -7.665295      6.979655      2.041821
  H     -10.256813      5.548530      1.641820
  H     -11.447561      4.406157      2.366761
  H     -11.778875      6.160737      2.317937
  H      -9.452833      5.641968      6.222097
  H      -7.018241      3.617168      7.840540
  H      -5.309440      1.772803      4.348887
  H      -5.999047      0.390857      5.188782
  H      -7.337932      1.962541      3.668730
  H      -9.754942      3.733765      1.976227
  N      -1.792209      3.146732      4.195857
  H      -0.888792      2.936440      3.779306
  H      -2.245787      3.934090      3.735835
95
Coordinates from ORCA-job orca E -6661.032715182862
  N      -1.017381      0.964608      5.348554
  Mo     -2.570867      2.241459      5.786518
  N      -4.148883      1.053269      5.911016
  C      -4.234964     -0.011813      6.914609
  C      -2.861388     -0.277926      7.488720
  N      -2.147664      1.021161      7.654836
  C      -0.679582      0.821772      7.727199
  C      -0.210837      0.325613      6.378578
  C      -2.636386      1.774697      8.843493
  C      -2.300942      3.235935      8.621377
  N      -2.696221      3.554610      7.248448
  H       0.860039      0.560133      6.233000
  H      -0.298324     -0.773556      6.300554
  H      -0.222967      1.791506      7.964300
  H      -0.432580      0.112624      8.534203
  H      -2.858864      3.855900      9.340167
  H      -1.230443      3.445430      8.782827
  H      -3.726918      1.658583      8.886632
  H      -2.192253      1.360933      9.763862
  H      -4.624665     -0.936563      6.452297
  H      -4.949730      0.285639      7.700760
  H      -2.280348     -0.894832      6.795224
  H      -2.914399     -0.802238      8.456310
  C      -7.386179      0.603363      0.416688
  C      -7.072256     -0.183909      1.658533
  O      -7.956201     -0.744457      2.298346
  C      -5.645611     -0.305718      2.141975
  C      -5.353162     -1.418262      2.931265
  C      -4.083769     -1.626213      3.480773
  O      -3.874409     -2.728629      4.220330
  C      -3.066420     -0.645968      3.274075
  C      -1.773677     -0.816945      3.936483
  O      -1.491575     -1.877416      4.543536
  C      -0.784971      0.342638      4.041871
  C      -3.369397      0.473003      2.471680
  C      -4.622194      0.646762      1.897624
  O      -4.921059      1.756877      1.152162
  C      -8.703181      9.489350      4.518963
  C      -8.103834      8.398525      3.684082
  O      -8.476058      8.241798      2.503151
  C      -7.080335      7.497964      4.251965
  C      -6.591225      7.662026      5.557787
  C      -5.644210      6.798740      6.098842
  O      -5.164637      6.951565      7.364815
  C      -5.169758      5.705069      5.321138
  C      -4.247360      4.705707      5.825188
  O      -3.995542      3.689155      5.104438
  C      -3.558169      4.721811      7.140796
  C      -5.656135      5.541764      4.009773
  C      -6.584729      6.417980      3.457417
  O      -7.005212      6.212714      2.199348
  C     -11.045870      5.395836      2.482229
  C     -10.379033      5.611989      3.820015
  O     -10.633125      6.623882      4.467322
  C      -9.392293      4.613572      4.364390
  C      -9.006234      4.828404      5.693227
  C      -8.052607      4.040677      6.330983
  O      -7.724659      4.319317      7.608536
  C      -7.417642      2.996687      5.593233
  C      -6.292876      2.281451      6.195358
  O      -5.975284      2.473907      7.389064
  C      -5.442678      1.350571      5.330567
  C      -7.825228      2.760110      4.270464
  C      -8.803148      3.532141      3.649101
  O      -9.073489      3.187267      2.357592
  H      -7.408560      1.674928      0.667815
  H      -8.374412      0.302341      0.050935
  H      -6.619157      0.471696     -0.357802
  H      -6.144073     -2.143730      3.124948
  H      -2.895786     -2.687451      4.479307
  H       0.236994     -0.066455      3.991038
  H      -0.911078      1.062129      3.227258
  H      -2.622503      1.253603      2.319106
  H      -4.115670      2.294213      1.041632
  H      -9.247728      9.047889      5.367871
  H      -7.927949     10.153883      4.927930
  H      -9.400961     10.069092      3.906481
  H      -6.965334      8.482068      6.173604
  H      -5.621613      7.699485      7.792901
  H      -3.006345      5.673657      7.270880
  H      -4.324381      4.724227      7.939547
  H      -5.305773      4.702366      3.411348
  H      -7.648032      6.982217      2.019399
  H     -10.315079      5.528027      1.664654
  H     -11.502189      4.394506      2.408476
  H     -11.828942      6.150260      2.349183
  H      -9.465596      5.655435      6.234471
  H      -7.018710      3.640401      7.846084
  H      -5.321422      1.804037      4.340384
  H      -6.013191      0.415656      5.169084
  H      -7.378524      1.956549      3.687743
  H      -9.789827      3.737942      1.994717
  N      -1.796047      3.125829      4.172187
  H      -0.888464      2.917143      3.764238
  H      -2.247535      3.911613      3.707650
95
Coordinates from ORCA-job orca E -6661.032806420501
  N      -1.016152      0.965925      5.343529
  Mo     -2.579566      2.234656      5.779098
  N      -4.155877      1.047313      5.906055
  C      -4.241932     -0.018686      6.909085
  C      -2.867667     -0.284258      7.482122
  N      -2.155237      1.015419      7.648643
  C      -0.686837      0.818221      7.723558
  C      -0.216310      0.321019      6.376652
  C      -2.645989      1.769784      8.835589
  C      -2.304494      3.229327      8.614475
  N      -2.699292      3.550548      7.241333
  H       0.856276      0.549631      6.234689
  H      -0.309056     -0.777554      6.296548
  H      -0.232786      1.789447      7.958407
  H      -0.439888      0.111993      8.533047
  H      -2.859070      3.851588      9.333730
  H      -1.233069      3.434054      8.774982
  H      -3.737093      1.657637      8.875086
  H      -2.206152      1.354118      9.757336
  H      -4.632764     -0.942623      6.446826
  H      -4.955889      0.279776      7.695707
  H      -2.286346     -0.898642      6.786824
  H      -2.919076     -0.810727      8.448562
  C      -7.387502      0.536938      0.423994
  C      -7.071942     -0.184703      1.705129
  O      -7.955971     -0.702736      2.379919
  C      -5.643210     -0.297984      2.181966
  C      -5.337053     -1.410592      2.966140
  C      -4.058630     -1.614881      3.495496
  O      -3.829698     -2.720223      4.225548
  C      -3.050399     -0.629752      3.279814
  C      -1.747099     -0.807890      3.916961
  O      -1.457247     -1.878575      4.502204
  C      -0.765579      0.355072      4.033565
  C      -3.367969      0.492439      2.487927
  C      -4.628133      0.660510      1.928584
  O      -4.942312      1.770213      1.188063
  C      -8.693793      9.501231      4.509451
  C      -8.084791      8.416410      3.673537
  O      -8.454160      8.256624      2.492364
  C      -7.070899      7.508960      4.246906
  C      -6.590825      7.664819      5.556768
  C      -5.649644      6.796117      6.099107
  O      -5.177627      6.940696      7.368814
  C      -5.172747      5.705396      5.318248
  C      -4.255461      4.701062      5.823317
  O      -4.005800      3.684767      5.102001
  C      -3.565784      4.714845      7.138483
  C      -5.652025      5.549494      4.003359
  C      -6.575527      6.431014      3.450533
  O      -6.993890      6.231806      2.190579
  C     -11.054567      5.416528      2.496916
  C     -10.377135      5.626890      3.830390
  O     -10.628734      6.634323      4.485362
  C      -9.391655      4.623061      4.365985
  C      -9.018428      4.815908      5.701950
  C      -8.066280      4.021600      6.333689
  O      -7.749553      4.279394      7.618784
  C      -7.421335      2.992991      5.583960
  C      -6.300293      2.272025      6.186037
  O      -5.990228      2.454063      7.383205
  C      -5.448969      1.342152      5.322028
  C      -7.815263      2.778801      4.253374
  C      -8.789396      3.558819      3.636179
  O      -9.038961      3.243142      2.333251
  H      -7.450900      1.616571      0.630277
  H      -8.360299      0.190925      0.055909
  H      -6.604383      0.398419     -0.332204
  H      -6.120095     -2.142522      3.167199
  H      -2.848296     -2.674640      4.466631
  H       0.260883     -0.042314      3.985166
  H      -0.895911      1.079455      3.223910
  H      -2.625246      1.275154      2.327067
  H      -4.140471      2.311419      1.071446
  H      -9.235617      9.056580      5.358267
  H      -7.923157     10.171200      4.918211
  H      -9.394999     10.076431      3.896610
  H      -6.968453      8.481574      6.174819
  H      -5.636911      7.685748      7.799516
  H      -3.017172      5.667852      7.272902
  H      -4.332044      4.711624      7.937024
  H      -5.303255      4.710136      3.403993
  H      -7.641677      6.997722      2.015200
  H     -10.333756      5.578730      1.675678
  H     -11.491862      4.408069      2.409729
  H     -11.852556      6.158362      2.382225
  H      -9.486124      5.630930      6.254211
  H      -7.043138      3.598807      7.850316
  H      -5.325568      1.792910      4.331023
  H      -6.018745      0.406314      5.163179
  H      -7.356958      1.990209      3.658798
  H      -9.746506      3.805603      1.971215
  N      -1.817300      3.107620      4.153313
  H      -0.908154      2.903782      3.746563
  H      -2.270432      3.894196      3.691712
95
Coordinates from ORCA-job orca E -6661.032845395686
  N      -1.020508      0.977660      5.332064
  Mo     -2.585191      2.244032      5.775102
  N      -4.163446      1.060716      5.899580
  C      -4.251087     -0.008868      6.898848
  C      -2.875987     -0.281859      7.466704
  N      -2.160396      1.014747      7.639041
  C      -0.692344      0.814961      7.711834
  C      -0.223389      0.324267      6.362546
  C      -2.648030      1.764406      8.830090
  C      -2.298964      3.223045      8.616027
  N      -2.695659      3.553028      7.245269
  H       0.850074      0.549411      6.222000
  H      -0.320001     -0.773597      6.276305
  H      -0.236912      1.784375      7.950890
  H      -0.445721      0.104549      8.517775
  H      -2.847576      3.845083      9.339980
  H      -1.226014      3.420699      8.774367
  H      -3.739623      1.657568      8.868715
  H      -2.210371      1.341483      9.749643
  H      -4.646518     -0.929576      6.434391
  H      -4.961725      0.289257      7.688544
  H      -2.297769     -0.893136      6.765858
  H      -2.926241     -0.814658      8.429770
  C      -7.402687      0.439437      0.437112
  C      -7.072868     -0.255147      1.729532
  O      -7.948897     -0.761627      2.423399
  C      -5.639926     -0.353617      2.194993
  C      -5.319523     -1.451987      2.993543
  C      -4.034945     -1.639849      3.513926
  O      -3.791297     -2.733492      4.257118
  C      -3.036876     -0.648977      3.278034
  C      -1.726891     -0.805556      3.908218
  O      -1.418774     -1.868993      4.497464
  C      -0.764380      0.373515      4.019189
  C      -3.368811      0.457876      2.470668
  C      -4.633938      0.606846      1.917070
  O      -4.962008      1.701772      1.160622
  C      -8.689391      9.533764      4.583096
  C      -8.080831      8.459255      3.733641
  O      -8.438182      8.325146      2.545602
  C      -7.068034      7.543496      4.296050
  C      -6.586893      7.684495      5.607107
  C      -5.645525      6.809518      6.138877
  O      -5.169911      6.941643      7.408574
  C      -5.171359      5.726158      5.346161
  C      -4.255783      4.714927      5.840941
  O      -4.011162      3.702803      5.112347
  C      -3.562220      4.718261      7.153742
  C      -5.652007      5.584707      4.030293
  C      -6.574349      6.473807      3.487479
  O      -6.993097      6.289092      2.225527
  C     -11.055670      5.404170      2.444060
  C     -10.372168      5.632954      3.771459
  O     -10.620501      6.649459      4.413367
  C      -9.390177      4.632951      4.319898
  C      -9.016863      4.840842      5.653608
  C      -8.068019      4.050743      6.295511
  O      -7.753679      4.320910      7.578669
  C      -7.424909      3.012034      5.558101
  C      -6.305498      2.295290      6.168300
  O      -5.991993      2.492742      7.362127
  C      -5.454760      1.357953      5.311819
  C      -7.818418      2.783593      4.229745
  C      -8.790803      3.558298      3.603188
  O      -9.042219      3.226762      2.304714
  H      -7.477126      1.522094      0.624169
  H      -8.373933      0.077064      0.080830
  H      -6.622465      0.295748     -0.321065
  H      -6.095204     -2.186553      3.212730
  H      -2.807016     -2.680462      4.484359
  H       0.268193     -0.005949      3.966997
  H      -0.910739      1.095415      3.210229
  H      -2.633305      1.242910      2.291812
  H      -4.164763      2.246368      1.029776
  H      -9.238523      9.078584      5.421529
  H      -7.917770     10.193269      5.006876
  H      -9.384036     10.122187      3.975371
  H      -6.963006      8.495058      6.234134
  H      -5.627467      7.682720      7.847835
  H      -3.013013      5.670082      7.293767
  H      -4.325948      4.709241      7.954633
  H      -5.304898      4.751279      3.421729
  H      -7.641925      7.056087      2.059725
  H     -10.337885      5.556321      1.618211
  H     -11.493059      4.394784      2.371297
  H     -11.853841      6.144737      2.322458
  H      -9.482589      5.663563      6.196056
  H      -7.050005      3.640465      7.819044
  H      -5.327398      1.803894      4.319249
  H      -6.027066      0.423306      5.155623
  H      -7.361092      1.987552      3.644136
  H      -9.741378      3.793413      1.933195
  N      -1.831010      3.120289      4.147577
  H      -0.916247      2.929254      3.747364
  H      -2.285726      3.909321      3.691795
95
Coordinates from ORCA-job orca E -6661.032883917986
  N      -1.017768      0.976768      5.333689
  Mo     -2.585602      2.241214      5.770950
  N      -4.161010      1.055534      5.896193
  C      -4.246445     -0.014537      6.895324
  C      -2.871271     -0.282172      7.465624
  N      -2.161114      1.017052      7.638533
  C      -0.692397      0.824131      7.714721
  C      -0.217089      0.333481      6.367668
  C      -2.654383      1.767403      8.826762
  C      -2.307341      3.226591      8.612040
  N      -2.698844      3.553634      7.238954
  H       0.854933      0.566517      6.229169
  H      -0.304821     -0.765383      6.284901
  H      -0.242278      1.796226      7.952816
  H      -0.443733      0.116603      8.522610
  H      -2.860324      3.848860      9.332409
  H      -1.235597      3.427047      8.774807
  H      -3.745894      1.658934      8.861193
  H      -2.219687      1.346233      9.748557
  H      -4.637622     -0.936695      6.430372
  H      -4.959739      0.280817      7.683789
  H      -2.289908     -0.890931      6.765101
  H      -2.920929     -0.815550      8.428433
  C      -7.395305      0.468230      0.445152
  C      -7.068098     -0.241084      1.730114
  O      -7.945853     -0.751403      2.419056
  C      -5.635924     -0.349719      2.193282
  C      -5.320238     -1.453640      2.986000
  C      -4.037693     -1.647895      3.508912
  O      -3.802345     -2.744419      4.251020
  C      -3.035229     -0.658836      3.278892
  C      -1.727688     -0.814400      3.916082
  O      -1.420412     -1.876500      4.508121
  C      -0.762441      0.363234      4.024910
  C      -3.363008      0.452703      2.476144
  C      -4.627350      0.609226      1.922698
  O      -4.952354      1.712171      1.176463
  C      -8.700015      9.519530      4.560332
  C      -8.096053      8.439792      3.714342
  O      -8.456667      8.301735      2.527832
  C      -7.080808      7.526802      4.278232
  C      -6.599325      7.673159      5.588572
  C      -5.655240      6.802514      6.122823
  O      -5.179638      6.940342      7.391888
  C      -5.178508      5.717988      5.333276
  C      -4.260400      4.710084      5.830644
  O      -4.015094      3.696544      5.104964
  C      -3.567311      4.717407      7.143603
  C      -5.660557      5.569949      4.018814
  C      -6.585134      6.455089      3.473175
  O      -7.001356      6.266060      2.211172
  C     -11.042103      5.433732      2.467598
  C     -10.366555      5.646586      3.801796
  O     -10.617839      6.655718      4.454194
  C      -9.382535      4.643561      4.340258
  C      -9.013124      4.835816      5.677353
  C      -8.065229      4.038964      6.312035
  O      -7.751583      4.296866      7.597998
  C      -7.420983      3.008027      5.564764
  C      -6.306780      2.281014      6.172174
  O      -6.002608      2.459649      7.371263
  C      -5.453127      1.351782      5.309418
  C      -7.808805      2.796630      4.231874
  C      -8.778954      3.579399      3.611560
  O      -9.029522      3.261931      2.309403
  H      -7.467138      1.549003      0.644181
  H      -8.367433      0.112665      0.084485
  H      -6.615375      0.331197     -0.314743
  H      -6.098968     -2.186089      3.201504
  H      -2.817177     -2.699689      4.478626
  H       0.267851     -0.022673      3.979708
  H      -0.899602      1.080018      3.209656
  H      -2.625692      1.237872      2.305587
  H      -4.154164      2.258160      1.057635
  H      -9.246132      9.069408      5.403437
  H      -7.926011     10.180742      4.977185
  H      -9.396577     10.105298      3.952225
  H      -6.977247      8.484814      6.213076
  H      -5.639066      7.681629      7.828765
  H      -3.019882      5.670522      7.282100
  H      -4.331896      4.709083      7.943678
  H      -5.311598      4.735235      3.412884
  H      -7.648180      7.033835      2.041034
  H     -10.320332      5.600943      1.647976
  H     -11.474552      4.423817      2.377590
  H     -11.842380      6.173001      2.352023
  H      -9.480365      5.651998      6.228297
  H      -7.043405      3.618946      7.830319
  H      -5.325937      1.804150      4.319583
  H      -6.022852      0.416728      5.147400
  H      -7.351172      2.006419      3.638589
  H      -9.724858      3.835946      1.942041
  N      -1.833750      3.112621      4.139751
  H      -0.915475      2.926956      3.745019
  H      -2.291865      3.896940      3.679252
95
Coordinates from ORCA-job orca E -6661.032907701748
  N      -1.016476      0.973697      5.334707
  Mo     -2.584664      2.238177      5.770126
  N      -4.160253      1.053460      5.897284
  C      -4.246184     -0.014581      6.898510
  C      -2.870951     -0.282710      7.468161
  N      -2.160301      1.016224      7.639856
  C      -0.691732      0.823085      7.715945
  C      -0.216513      0.330939      6.369516
  C      -2.652959      1.768414      8.827129
  C      -2.303942      3.226917      8.610499
  N      -2.695812      3.552632      7.237075
  H       0.855676      0.563442      6.231419
  H      -0.304526     -0.767984      6.287738
  H      -0.241238      1.795270      7.952839
  H      -0.442891      0.116453      8.524564
  H      -2.855293      3.851061      9.330433
  H      -1.231817      3.425969      8.772299
  H      -3.744660      1.661534      8.861328
  H      -2.219213      1.347645      9.749562
  H      -4.639096     -0.937210      6.436006
  H      -4.958338      0.283392      7.686969
  H      -2.290267     -0.892101      6.767592
  H      -2.920507     -0.815901      8.431087
  C      -7.394323      0.487681      0.444975
  C      -7.068987     -0.220818      1.730862
  O      -7.948190     -0.730922      2.418235
  C      -5.637200     -0.333853      2.194250
  C      -5.325461     -1.438058      2.988539
  C      -4.043771     -1.636088      3.511615
  O      -3.810222     -2.732570      4.254655
  C      -3.038094     -0.651626      3.280076
  C      -1.731031     -0.814138      3.916166
  O      -1.430733     -1.877891      4.508332
  C      -0.760806      0.359274      4.026799
  C      -3.361001      0.459952      2.475707
  C      -4.624905      0.620886      1.922258
  O      -4.944467      1.723835      1.173504
  C      -8.699788      9.516129      4.556955
  C      -8.093285      8.437747      3.710987
  O      -8.454727      8.297259      2.525089
  C      -7.077830      7.525466      4.275560
  C      -6.597124      7.671865      5.586123
  C      -5.653297      6.801197      6.120882
  O      -5.178919      6.938729      7.390402
  C      -5.176276      5.716719      5.331446
  C      -4.258786      4.708276      5.829232
  O      -4.014321      3.694382      5.104042
  C      -3.565073      4.715983      7.141776
  C      -5.656848      5.569343      4.016363
  C      -6.581131      6.454552      3.470351
  O      -6.997348      6.265542      2.208241
  C     -11.045265      5.423574      2.467077
  C     -10.369204      5.637883      3.800878
  O     -10.617082      6.650044      4.449880
  C      -9.386185      4.634791      4.341321
  C      -9.014597      4.830905      5.677262
  C      -8.066485      4.035179      6.313021
  O      -7.752375      4.295520      7.598390
  C      -7.422906      3.002496      5.567488
  C      -6.305491      2.279340      6.173745
  O      -5.995944      2.464214      7.370513
  C      -5.452645      1.349496      5.310852
  C      -7.813948      2.786232      4.236351
  C      -8.785242      3.567128      3.615411
  O      -9.038713      3.244954      2.315113
  H      -7.462655      1.568968      0.642193
  H      -8.367843      0.134836      0.085334
  H      -6.615381      0.347159     -0.315184
  H      -6.106662     -2.167748      3.204516
  H      -2.825545     -2.689491      4.481858
  H       0.268110     -0.030792      3.983082
  H      -0.894533      1.076492      3.211404
  H      -2.619815      1.241117      2.303415
  H      -4.143744      2.266390      1.055484
  H      -9.244645      9.064969      5.400324
  H      -7.927375     10.179348      4.973496
  H      -9.397881     10.100065      3.948826
  H      -6.976038      8.483029      6.210671
  H      -5.638913      7.679799      7.827095
  H      -3.018140      5.669363      7.280203
  H      -4.329556      4.707372      7.942020
  H      -5.307241      4.734958      3.410378
  H      -7.644445      7.032942      2.037986
  H     -10.322251      5.584713      1.647239
  H     -11.482622      4.415523      2.380117
  H     -11.841842      6.166365      2.348620
  H      -9.480603      5.648949      6.226483
  H      -7.046882      3.615443      7.832964
  H      -5.326143      1.801305      4.320744
  H      -6.022462      0.414273      5.149870
  H      -7.357251      1.994463      3.644498
  H      -9.729539      3.822736      1.945060
  N      -1.835769      3.105501      4.135386
  H      -0.918537      2.916993      3.739553
  H      -2.291701      3.892130      3.676670
95
Coordinates from ORCA-job orca E -6661.032915247169
  N      -1.017535      0.977044      5.332019
  Mo     -2.587227      2.240009      5.767485
  N      -4.162772      1.056590      5.892266
  C      -4.251033     -0.011505      6.893266
  C      -2.876320     -0.282351      7.462843
  N      -2.164208      1.015326      7.636736
  C      -0.695940      0.820404      7.713186
  C      -0.220426      0.330115      6.366350
  C      -2.656201      1.767052      8.824496
  C      -2.303298      3.224966      8.609753
  N      -2.694957      3.553502      7.236748
  H       0.852506      0.560529      6.230256
  H      -0.310740     -0.768458      6.281936
  H      -0.244272      1.791569      7.951875
  H      -0.448266      0.112218      8.520804
  H      -2.852134      3.849910      9.330852
  H      -1.230551      3.420820      8.771048
  H      -3.748259      1.663156      8.857325
  H      -2.224765      1.343737      9.746863
  H      -4.646294     -0.933323      6.431164
  H      -4.962192      0.288522      7.681807
  H      -2.296143     -0.891220      6.761358
  H      -2.927079     -0.817568      8.424593
  C      -7.398368      0.448459      0.451238
  C      -7.066866     -0.247782      1.742294
  O      -7.943452     -0.746455      2.441429
  C      -5.633314     -0.353824      2.201226
  C      -5.314536     -1.453338      2.999430
  C      -4.030375     -1.643429      3.519051
  O      -3.788593     -2.735688      4.265838
  C      -3.030103     -0.655597      3.280402
  C      -1.719871     -0.811080      3.911935
  O      -1.411624     -1.874274      4.500804
  C      -0.757151      0.368395      4.022596
  C      -3.359714      0.450875      2.471856
  C      -4.625979      0.603758      1.921355
  O      -4.952146      1.701475      1.167487
  C      -8.699269      9.524025      4.571961
  C      -8.091260      8.449117      3.722698
  O      -8.453178      8.310796      2.536765
  C      -7.075995      7.535254      4.285226
  C      -6.594910      7.678898      5.595918
  C      -5.651503      6.806551      6.128839
  O      -5.176452      6.941471      7.398342
  C      -5.175802      5.723201      5.337192
  C      -4.259795      4.712216      5.833028
  O      -4.016879      3.699805      5.105693
  C      -3.565507      4.716395      7.145136
  C      -5.656282      5.579008      4.021761
  C      -6.579979      6.465968      3.477603
  O      -6.996814      6.279590      2.215230
  C     -11.045273      5.433697      2.460171
  C     -10.369498      5.645017      3.794636
  O     -10.623137      6.652435      4.448832
  C      -9.386705      4.640968      4.333750
  C      -9.020196      4.831770      5.671865
  C      -8.072649      4.035113      6.307273
  O      -7.762829      4.290837      7.594624
  C      -7.424705      3.006858      5.559547
  C      -6.307960      2.283274      6.166542
  O      -6.002119      2.464317      7.364835
  C      -5.454095      1.354220      5.303849
  C      -7.810549      2.795788      4.226100
  C      -8.780922      3.577760      3.605090
  O      -9.028520      3.261153      2.302300
  H      -7.472131      1.530980      0.639709
  H      -8.371186      0.088276      0.096869
  H      -6.620759      0.305744     -0.309734
  H      -6.091693     -2.185690      3.220879
  H      -2.804022     -2.685870      4.490424
  H       0.274700     -0.013840      3.976657
  H      -0.898084      1.086379      3.209201
  H      -2.621587      1.233605      2.293582
  H      -4.153954      2.246976      1.045736
  H      -9.242168      9.069913      5.414984
  H      -7.927681     10.187904      4.988982
  H      -9.399206     10.107975      3.965957
  H      -6.973463      8.488943      6.222141
  H      -5.635920      7.681864      7.836754
  H      -3.019594      5.669818      7.287015
  H      -4.330139      4.704398      7.945285
  H      -5.307515      4.745421      3.414244
  H      -7.643106      7.047948      2.046268
  H     -10.323346      5.604458      1.641187
  H     -11.476642      4.423692      2.367059
  H     -11.845943      6.172770      2.346022
  H      -9.489445      5.646552      6.223146
  H      -7.055886      3.611824      7.828188
  H      -5.325219      1.807245      4.314708
  H      -6.024089      0.419469      5.140491
  H      -7.349764      2.008195      3.632006
  H      -9.712541      3.845375      1.929666
  N      -1.843146      3.105074      4.129346
  H      -0.925513      2.917740      3.733939
  H      -2.297866      3.894431      3.674190
95
Coordinates from ORCA-job orca E -6661.032925738559
  N      -1.016938      0.977310      5.331431
  Mo     -2.587021      2.239984      5.765987
  N      -4.161683      1.056472      5.890683
  C      -4.250226     -0.010939      6.892531
  C      -2.875595     -0.281727      7.462240
  N      -2.163824      1.015899      7.636359
  C      -0.695637      0.821549      7.712824
  C      -0.219433      0.331599      6.366094
  C      -2.655884      1.767958      8.823718
  C      -2.301959      3.225603      8.608812
  N      -2.693433      3.554148      7.235677
  H       0.853337      0.563205      6.230608
  H      -0.308495     -0.767058      6.281860
  H      -0.244246      1.792793      7.951639
  H      -0.447590      0.113451      8.520432
  H      -2.850232      3.851114      9.329820
  H      -1.229120      3.420906      8.770033
  H      -3.748059      1.665009      8.855831
  H      -2.225514      1.344305      9.746440
  H      -4.645977     -0.932983      6.431365
  H      -4.961118      0.290212      7.680838
  H      -2.295207     -0.890249      6.760599
  H      -2.926586     -0.817556      8.423653
  C      -7.399883      0.448422      0.454648
  C      -7.067986     -0.245848      1.746663
  O      -7.944489     -0.743497      2.446672
  C      -5.634202     -0.354015      2.203789
  C      -5.315837     -1.454513      3.000944
  C      -4.031686     -1.646002      3.519850
  O      -3.790883     -2.739015      4.266042
  C      -3.030719     -0.658515      3.281464
  C      -1.720266     -0.813288      3.913453
  O      -1.411014     -1.876124      4.502303
  C      -0.757631      0.366644      4.022771
  C      -3.359917      0.448582      2.473639
  C      -4.626442      0.602923      1.924037
  O      -4.952010      1.701916      1.171623
  C      -8.701149      9.524714      4.576755
  C      -8.090780      8.452295      3.726033
  O      -8.449640      8.317014      2.538868
  C      -7.076615      7.537098      4.288555
  C      -6.597297      7.678235      5.600147
  C      -5.654046      6.805205      6.132376
  O      -5.180926      6.937383      7.402873
  C      -5.176724      5.724000      5.338883
  C      -4.260146      4.712764      5.833538
  O      -4.017672      3.700873      5.105628
  C      -3.565539      4.716082      7.145354
  C      -5.656009      5.581904      4.022817
  C      -6.579689      6.469420      3.479547
  O      -6.995821      6.285063      2.216600
  C     -11.044140      5.430615      2.455697
  C     -10.368871      5.643306      3.790189
  O     -10.621044      6.652502      4.442233
  C      -9.385463      4.640361      4.330034
  C      -9.016594      4.834049      5.667060
  C      -8.068875      4.037842      6.302742
  O      -7.756612      4.296219      7.588998
  C      -7.423312      3.007090      5.556455
  C      -6.306751      2.283659      6.163824
  O      -5.999334      2.467618      7.361263
  C      -5.452889      1.353987      5.301677
  C      -7.810837      2.793741      4.223842
  C      -8.781381      3.575367      3.602608
  O      -9.032008      3.256028      2.301057
  H      -7.474279      1.531165      0.641704
  H      -8.372764      0.087565      0.101085
  H      -6.622601      0.305175     -0.306557
  H      -6.093542     -2.186330      3.222221
  H      -2.805941     -2.691107      4.489623
  H       0.273983     -0.016200      3.976677
  H      -0.898611      1.083244      3.208274
  H      -2.621127      1.230847      2.296184
  H      -4.153702      2.247964      1.053063
  H      -9.245344      9.068408      5.417741
  H      -7.930735     10.188153      4.996661
  H      -9.400287     10.109662      3.970782
  H      -6.976934      8.486872      6.227525
  H      -5.641572      7.676356      7.842426
  H      -3.020889      5.669914      7.288960
  H      -4.330529      4.702011      7.945219
  H      -5.306199      4.749664      3.414059
  H      -7.642535      7.053207      2.048773
  H     -10.321774      5.601103      1.636968
  H     -11.475100      4.420504      2.362839
  H     -11.844653      6.169699      2.340519
  H      -9.484155      5.650522      6.217259
  H      -7.050095      3.616968      7.822994
  H      -5.323495      1.806575      4.312422
  H      -6.022918      0.419219      5.138543
  H      -7.351756      2.004454      3.630650
  H      -9.710965      3.844953      1.926515
  N      -1.847123      3.102246      4.124420
  H      -0.927161      2.919386      3.732387
  H      -2.303514      3.890298      3.668720
95
Coordinates from ORCA-job orca E -6661.032928554668
  N      -1.016112      0.980090      5.330226
  Mo     -2.586220      2.242629      5.763600
  N      -4.160175      1.058982      5.885919
  C      -4.249924     -0.008342      6.887942
  C      -2.876002     -0.279575      7.459023
  N      -2.164441      1.017712      7.634932
  C      -0.696414      0.823701      7.712176
  C      -0.218252      0.335679      6.365325
  C      -2.657031      1.769580      8.821940
  C      -2.301314      3.226938      8.607778
  N      -2.692046      3.556515      7.234617
  H       0.854209      0.569699      6.231410
  H      -0.304923     -0.763050      6.280362
  H      -0.245301      1.794626      7.952772
  H      -0.448559      0.114668      8.519077
  H      -2.848901      3.852815      9.328981
  H      -1.228341      3.421070      8.769335
  H      -3.749386      1.667984      8.852701
  H      -2.228440      1.344995      9.745080
  H      -4.645906     -0.930267      6.426854
  H      -4.961147      0.293795      7.675524
  H      -2.294696     -0.887475      6.757577
  H      -2.928432     -0.816735      8.419645
  C      -7.404514      0.433426      0.461362
  C      -7.069047     -0.259613      1.753083
  O      -7.943067     -0.761966      2.452832
  C      -5.634233     -0.366483      2.206664
  C      -5.313458     -1.465078      3.005693
  C      -4.028439     -1.654063      3.523040
  O      -3.785094     -2.745679      4.270709
  C      -3.029167     -0.665531      3.281634
  C      -1.718388     -0.815861      3.914667
  O      -1.409264     -1.874993      4.509924
  C      -0.758286      0.366782      4.022343
  C      -3.360424      0.438783      2.471006
  C      -4.627904      0.590391      1.922676
  O      -4.955422      1.687309      1.167899
  C      -8.704473      9.527381      4.586133
  C      -8.095469      8.455264      3.734108
  O      -8.455332      8.321333      2.547116
  C      -7.079515      7.540565      4.294546
  C      -6.599508      7.680551      5.606015
  C      -5.655224      6.807547      6.136690
  O      -5.181563      6.938520      7.407122
  C      -5.177524      5.727824      5.341526
  C      -4.259913      4.716383      5.834325
  O      -4.017457      3.705752      5.105030
  C      -3.565556      4.717676      7.146130
  C      -5.657247      5.587043      4.025518
  C      -6.581946      6.474453      3.483892
  O      -6.997536      6.292163      2.220462
  C     -11.035557      5.440794      2.449472
  C     -10.366948      5.647264      3.788287
  O     -10.622187      6.653613      4.443602
  C      -9.383716      4.643457      4.326850
  C      -9.018465      4.832528      5.665467
  C      -8.072038      4.034476      6.300709
  O      -7.763736      4.288106      7.588836
  C      -7.423815      3.006865      5.552300
  C      -6.307449      2.282937      6.159348
  O      -6.002324      2.463652      7.357890
  C      -5.450815      1.357087      5.295732
  C      -7.807582      2.798203      4.217824
  C      -8.776972      3.581620      3.596993
  O      -9.025807      3.265773      2.294195
  H      -7.479396      1.516270      0.647788
  H      -8.378026      0.071584      0.110557
  H      -6.629121      0.290337     -0.301878
  H      -6.090320     -2.197010      3.229549
  H      -2.799392     -2.697824      4.490606
  H       0.273584     -0.015217      3.975852
  H      -0.900691      1.081260      3.206325
  H      -2.622568      1.221222      2.291059
  H      -4.158268      2.235203      1.050162
  H      -9.247618      9.070948      5.427720
  H      -7.933355     10.190598      5.005172
  H      -9.404351     10.112684      3.981348
  H      -6.979426      8.488133      6.234560
  H      -5.642749      7.676429      7.847879
  H      -3.022211      5.671665      7.293114
  H      -4.331637      4.700550      7.944994
  H      -5.306433      4.756267      3.415320
  H      -7.642738      7.061686      2.053215
  H     -10.308877      5.614120      1.635112
  H     -11.466780      4.431540      2.349854
  H     -11.834548      6.181369      2.333321
  H      -9.488145      5.646562      6.217462
  H      -7.056938      3.608896      7.822084
  H      -5.320009      1.813409      4.308356
  H      -6.019467      0.422288      5.128040
  H      -7.346423      2.011532      3.622705
  H      -9.696240      3.862873      1.917271
  N      -1.850960      3.102060      4.118297
  H      -0.927901      2.924731      3.730976
  H      -2.308750      3.889157      3.662414
95
Coordinates from ORCA-job orca E -6661.032933132326
  N      -1.016158      0.977912      5.331436
  Mo     -2.584763      2.241682      5.764308
  N      -4.157937      1.057810      5.889097
  C      -4.247145     -0.007732      6.893141
  C      -2.872965     -0.278088      7.464020
  N      -2.161052      1.019363      7.637467
  C      -0.692930      0.825237      7.713120
  C      -0.216356      0.335559      6.366164
  C      -2.652015      1.773180      8.823847
  C      -2.296210      3.230155      8.606932
  N      -2.688794      3.557862      7.233855
  H       0.855797      0.570042      6.230480
  H      -0.302525     -0.763310      6.282918
  H      -0.241272      1.796289      7.952144
  H      -0.444107      0.116977      8.520403
  H      -2.842593      3.857257      9.327975
  H      -1.222962      3.424273      8.766702
  H      -3.744397      1.671987      8.856002
  H      -2.222571      1.349881      9.747176
  H      -4.643485     -0.930439      6.433902
  H      -4.957980      0.295817      7.680508
  H      -2.292150     -0.887274      6.763325
  H      -2.925153     -0.813731      8.425511
  C      -7.404785      0.449683      0.457899
  C      -7.071904     -0.249200      1.747130
  O      -7.947843     -0.750404      2.445288
  C      -5.637863     -0.359253      2.202662
  C      -5.320784     -1.458712      3.001964
  C      -4.037245     -1.650287      3.522017
  O      -3.798403     -2.741292      4.271997
  C      -3.035193     -0.664115      3.281941
  C      -1.725893     -0.817415      3.917146
  O      -1.419009     -1.878085      4.510816
  C      -0.761727      0.362176      4.024163
  C      -3.362849      0.441231      2.471183
  C      -4.629099      0.595783      1.920905
  O      -4.952969      1.693784      1.166214
  C      -8.706676      9.523760      4.586186
  C      -8.097280      8.452096      3.733879
  O      -8.454503      8.320771      2.545796
  C      -7.081371      7.537282      4.294451
  C      -6.601839      7.677406      5.606081
  C      -5.657013      6.805110      6.136951
  O      -5.184194      6.935907      7.407697
  C      -5.178046      5.726074      5.341778
  C      -4.259341      4.715461      5.834520
  O      -4.017126      3.704553      5.105729
  C      -3.563793      4.717947      7.145638
  C      -5.657452      5.584848      4.025710
  C      -6.582876      6.471383      3.483879
  O      -6.998610      6.287879      2.220648
  C     -11.032960      5.434289      2.446020
  C     -10.365885      5.641726      3.785415
  O     -10.623993      6.647231      4.440905
  C      -9.381915      4.639188      4.325136
  C      -9.016824      4.830103      5.663514
  C      -8.070253      4.033162      6.299963
  O      -7.761751      4.289341      7.587514
  C      -7.422108      3.004224      5.553145
  C      -6.305767      2.281003      6.161137
  O      -6.001008      2.462645      7.359634
  C      -5.448758      1.354484      5.298583
  C      -7.805618      2.793885      4.218834
  C      -8.774664      3.576702      3.596699
  O      -9.023361      3.259058      2.294322
  H      -7.473872      1.532356      0.647447
  H      -8.380235      0.093720      0.106516
  H      -6.630508      0.304977     -0.306212
  H      -6.099923     -2.188575      3.224635
  H      -2.813829     -2.693728      4.497174
  H       0.268721     -0.023854      3.977227
  H      -0.901708      1.076572      3.207658
  H      -2.623068      1.222420      2.293235
  H      -4.154767      2.240724      1.051189
  H      -9.250701      9.066764      5.426899
  H      -7.935708     10.186358      5.006491
  H      -9.405772     10.109855      3.981263
  H      -6.982310      8.484830      6.234517
  H      -5.646183      7.673294      7.848499
  H      -3.021592      5.672624      7.292207
  H      -4.329451      4.700004      7.944958
  H      -5.305906      4.754261      3.415658
  H      -7.645410      7.056098      2.053414
  H     -10.305550      5.607415      1.632231
  H     -11.463412      4.424706      2.346538
  H     -11.832194      6.174407      2.328712
  H      -9.486722      5.644798      6.214344
  H      -7.054769      3.610764      7.821963
  H      -5.318142      1.809719      4.310654
  H      -6.016735      0.419088      5.132003
  H      -7.344416      2.006347      3.624868
  H      -9.690645      3.858305      1.915218
  N      -1.853151      3.097058      4.115111
  H      -0.930873      2.918002      3.726615
  H      -2.310777      3.884179      3.659124
95
Coordinates from ORCA-job orca E -6661.032935236771
  N      -1.017061      0.979446      5.330262
  Mo     -2.585226      2.243238      5.764197
  N      -4.157962      1.058993      5.887423
  C      -4.247974     -0.006508      6.891460
  C      -2.874010     -0.277796      7.462479
  N      -2.161139      1.019229      7.636282
  C      -0.693024      0.823743      7.711238
  C      -0.218082      0.334135      6.363756
  C      -2.651071      1.772611      8.823352
  C      -2.294888      3.229540      8.606941
  N      -2.689277      3.558534      7.234671
  H       0.854530      0.566116      6.227392
  H      -0.307056     -0.764458      6.279435
  H      -0.240319      1.794272      7.950397
  H      -0.444626      0.114875      8.518088
  H      -2.839873      3.856364      9.329290
  H      -1.221280      3.422879      8.765162
  H      -3.743491      1.671657      8.856300
  H      -2.221071      1.348759      9.746174
  H      -4.645063     -0.928858      6.432105
  H      -4.958557      0.297731      7.678787
  H      -2.293418     -0.887369      6.761959
  H      -2.926810     -0.813301      8.423998
  C      -7.407376      0.428880      0.458032
  C      -7.073295     -0.261859      1.751384
  O      -7.948317     -0.758782      2.453683
  C      -5.638874     -0.366965      2.207246
  C      -5.317689     -1.466416      3.004712
  C      -4.032810     -1.654747      3.522967
  O      -3.789396     -2.747121      4.269150
  C      -3.034242     -0.664763      3.283666
  C      -1.723638     -0.815438      3.916342
  O      -1.412445     -1.876113      4.508014
  C      -0.762326      0.366209      4.021980
  C      -3.366539      0.441304      2.475596
  C      -4.633657      0.592296      1.926565
  O      -4.962607      1.690446      1.174355
  C      -8.706189      9.527285      4.590273
  C      -8.093995      8.457962      3.736958
  O      -8.450083      8.327211      2.548479
  C      -7.079438      7.542069      4.297882
  C      -6.603416      7.678471      5.611153
  C      -5.659912      6.804729      6.141882
  O      -5.190196      6.931782      7.414166
  C      -5.178936      5.727892      5.344936
  C      -4.260991      4.716322      5.837186
  O      -4.017372      3.706846      5.106817
  C      -3.566477      4.717014      7.148840
  C      -5.654808      5.590506      4.027136
  C      -6.578560      6.478863      3.485399
  O      -6.990550      6.299828      2.220254
  C     -11.034660      5.435773      2.443746
  C     -10.365344      5.644708      3.781772
  O     -10.623988      6.649868      4.437541
  C      -9.380323      4.642828      4.320896
  C      -9.015889      4.833020      5.659569
  C      -8.068903      4.036373      6.295847
  O      -7.760584      4.292237      7.583493
  C      -7.420234      3.008021      5.548790
  C      -6.304947      2.283909      6.157628
  O      -6.000484      2.466146      7.356116
  C      -5.448379      1.356069      5.296254
  C      -7.802853      2.798659      4.214065
  C      -8.771748      3.581526      3.591889
  O      -9.018613      3.265476      2.288726
  H      -7.483691      1.511907      0.642550
  H      -8.379809      0.065369      0.105945
  H      -6.630325      0.285332     -0.303407
  H      -6.094080     -2.199455      3.226507
  H      -2.804613     -2.696617      4.493230
  H       0.269519     -0.015911      3.972179
  H      -0.907062      1.081422      3.207069
  H      -2.629730      1.225704      2.298871
  H      -4.166447      2.239998      1.057688
  H      -9.249319      9.068453      5.430561
  H      -7.936684     10.191133      5.011281
  H      -9.406348     10.112513      3.985748
  H      -6.985692      8.483981      6.240956
  H      -5.653415      7.667692      7.856163
  H      -3.026313      5.672362      7.298416
  H      -4.332776      4.695395      7.947507
  H      -5.301759      4.761614      3.415658
  H      -7.636369      7.068983      2.053582
  H     -10.309678      5.612335      1.628480
  H     -11.461434      4.424617      2.344407
  H     -11.836861      6.173028      2.328700
  H      -9.486636      5.646934      6.210840
  H      -7.052848      3.614256      7.817519
  H      -5.316953      1.809968      4.307845
  H      -6.016873      0.420804      5.130617
  H      -7.340786      2.011970      3.619723
  H      -9.686685      3.864132      1.910036
  N      -1.854505      3.098737      4.114613
  H      -0.932747      2.919159      3.725157
  H      -2.311134      3.887631      3.660702
95
Coordinates from ORCA-job orca E -6661.032937456347
  N      -1.016606      0.979651      5.330383
  Mo     -2.583651      2.244497      5.764142
  N      -4.157455      1.061373      5.887032
  C      -4.248277     -0.004533      6.890586
  C      -2.874764     -0.276690      7.462287
  N      -2.161021      1.019767      7.636349
  C      -0.693126      0.823094      7.711762
  C      -0.217858      0.334136      6.364096
  C      -2.650637      1.773479      8.823332
  C      -2.293175      3.230099      8.606887
  N      -2.687375      3.559525      7.234666
  H       0.854725      0.566302      6.227925
  H      -0.306707     -0.764412      6.279369
  H      -0.239774      1.793032      7.952063
  H      -0.445676      0.113289      8.518086
  H      -2.837572      3.857326      9.329348
  H      -1.219400      3.422386      8.765072
  H      -3.743126      1.673285      8.856212
  H      -2.220989      1.349481      9.746258
  H      -4.645238     -0.926496      6.430332
  H      -4.959303      0.299383      7.677614
  H      -2.294192     -0.886880      6.762271
  H      -2.928407     -0.811909      8.423922
  C      -7.407753      0.428360      0.458107
  C      -7.073403     -0.263593      1.750723
  O      -7.948056     -0.763122      2.451592
  C      -5.638798     -0.368985      2.206422
  C      -5.318547     -1.466776      3.006536
  C      -4.033811     -1.655087      3.525292
  O      -3.791434     -2.746035      4.273792
  C      -3.034433     -0.666384      3.284024
  C      -1.724247     -0.816507      3.917567
  O      -1.413634     -1.876395      4.511035
  C      -0.762787      0.365111      4.022302
  C      -3.365658      0.437743      2.472935
  C      -4.632443      0.588397      1.923128
  O      -4.960001      1.684555      1.167487
  C      -8.708309      9.526006      4.594292
  C      -8.095166      8.457800      3.740276
  O      -8.453270      8.325738      2.552512
  C      -7.079533      7.542725      4.300366
  C      -6.601141      7.680549      5.612646
  C      -5.656540      6.807494      6.142551
  O      -5.184541      6.935954      7.413879
  C      -5.176751      5.729950      5.345803
  C      -4.258472      4.718469      5.837508
  O      -4.014965      3.709216      5.106809
  C      -3.563873      4.718596      7.149126
  C      -5.654852      5.591303      4.028948
  C      -6.580076      6.478657      3.488138
  O      -6.995401      6.297469      2.224387
  C     -11.033524      5.437221      2.440804
  C     -10.367532      5.643915      3.780831
  O     -10.628613      6.647372      4.438215
  C      -9.382107      4.642154      4.319634
  C      -9.019452      4.830840      5.658985
  C      -8.072405      4.034308      6.295312
  O      -7.766187      4.288292      7.583796
  C      -7.421478      3.007987      5.547487
  C      -6.305362      2.285263      6.156369
  O      -6.002404      2.466647      7.355383
  C      -5.447368      1.358685      5.294998
  C      -7.802503      2.799863      4.212098
  C      -8.771639      3.582413      3.589926
  O      -9.016960      3.267519      2.286176
  H      -7.480114      1.511636      0.642675
  H      -8.381798      0.067644      0.107657
  H      -6.632342      0.282235     -0.304553
  H      -6.095728     -2.198448      3.230093
  H      -2.806605     -2.695848      4.497891
  H       0.268941     -0.017250      3.972622
  H      -0.907624      1.079768      3.206931
  H      -2.628360      1.221096      2.293959
  H      -4.163254      2.232755      1.048538
  H      -9.250455      9.066156      5.434688
  H      -7.939453     10.190620      5.015259
  H      -9.409551     10.110555      3.990374
  H      -6.982284      8.486714      6.242286
  H      -5.646926      7.672398      7.855855
  H      -3.023119      5.673571      7.298872
  H      -4.330140      4.697135      7.947826
  H      -5.302841      4.761788      3.417717
  H      -7.642921      7.065462      2.058675
  H     -10.306803      5.614730      1.627307
  H     -11.460014      4.426173      2.339160
  H     -11.835428      6.174675      2.325005
  H      -9.491898      5.643410      6.210791
  H      -7.058088      3.610649      7.817680
  H      -5.315340      1.813927      4.307281
  H      -6.015231      0.423336      5.127630
  H      -7.338637      2.014609      3.617243
  H      -9.683112      3.867747      1.906618
  N      -1.853832      3.098550      4.113367
  H      -0.931635      2.919468      3.724732
  H      -2.310260      3.887470      3.659306
95
Coordinates from ORCA-job orca E -6661.032939185759
  N      -1.016464      0.979259      5.330582
  Mo     -2.582173      2.245232      5.764219
  N      -4.156018      1.062339      5.887345
  C      -4.247131     -0.003063      6.891473
  C      -2.873782     -0.275317      7.463561
  N      -2.159589      1.020949      7.637019
  C      -0.691717      0.823951      7.712041
  C      -0.216730      0.334799      6.364280
  C      -2.648614      1.775308      8.823780
  C      -2.290649      3.231666      8.606499
  N      -2.685738      3.560748      7.234416
  H       0.855618      0.567620      6.227507
  H      -0.304934     -0.763802      6.280075
  H      -0.238146      1.793806      7.952226
  H      -0.444169      0.114166      8.518358
  H      -2.834157      3.859442      9.329149
  H      -1.216668      3.423437      8.763738
  H      -3.741120      1.675426      8.857107
  H      -2.218782      1.351712      9.746821
  H      -4.644210     -0.925102      6.431519
  H      -4.958235      0.301398      7.678214
  H      -2.293270     -0.886164      6.764098
  H      -2.927833     -0.809892      8.425534
  C      -7.409395      0.430045      0.457758
  C      -7.075440     -0.264723      1.748963
  O      -7.950121     -0.766782      2.447941
  C      -5.641035     -0.369777      2.205520
  C      -5.320955     -1.467750      3.005439
  C      -4.036405     -1.656033      3.524732
  O      -3.794278     -2.746840      4.273525
  C      -3.037011     -0.667264      3.284038
  C      -1.727288     -0.817896      3.918206
  O      -1.418656     -1.877267      4.513642
  C      -0.764595      0.362828      4.022785
  C      -3.368042      0.437056      2.473116
  C      -4.634676      0.587853      1.923049
  O      -4.962210      1.684459      1.168084
  C      -8.710016      9.524717      4.596264
  C      -8.097518      8.456240      3.742136
  O      -8.454369      8.325922      2.553785
  C      -7.080796      7.541921      4.301557
  C      -6.603304      7.679026      5.614254
  C      -5.658110      6.806482      6.143922
  O      -5.187196      6.934120      7.415755
  C      -5.176647      5.730199      5.346474
  C      -4.257610      4.719203      5.837817
  O      -4.013278      3.710484      5.106724
  C      -3.563439      4.718984      7.149636
  C      -5.653805      5.592229      4.029222
  C      -6.579533      6.479179      3.488595
  O      -6.993162      6.299121      2.224154
  C     -11.030962      5.436750      2.438160
  C     -10.366764      5.643043      3.779147
  O     -10.629225      6.645878      4.436899
  C      -9.381186      4.641606      4.318311
  C      -9.019228      4.830276      5.657832
  C      -8.072190      4.034050      6.294558
  O      -7.766823      4.288131      7.583204
  C      -7.420542      3.007966      5.546927
  C      -6.304434      2.285493      6.156118
  O      -6.001748      2.466881      7.355217
  C      -5.445709      1.359551      5.294853
  C      -7.800800      2.799983      4.211273
  C      -8.769930      3.582244      3.588753
  O      -9.015042      3.267122      2.285012
  H      -7.480751      1.513036      0.644380
  H      -8.383657      0.070646      0.106602
  H      -6.634046      0.284723     -0.305153
  H      -6.098243     -2.199452      3.228544
  H      -2.809649     -2.696379      4.498440
  H       0.266531     -0.021052      3.973112
  H      -0.908365      1.077054      3.206863
  H      -2.630950      1.220718      2.294858
  H      -4.165500      2.232809      1.049602
  H      -9.252407      9.065179      5.436651
  H      -7.940750     10.188859      5.017283
  H      -9.410920     10.109742      3.992414
  H      -6.985835      8.484073      6.244485
  H      -5.650725      7.669572      7.858176
  H      -3.023748      5.674322      7.300669
  H      -4.330098      4.695817      7.947942
  H      -5.300362      4.763763      3.417385
  H      -7.640861      7.067039      2.058533
  H     -10.303219      5.614099      1.625543
  H     -11.457395      4.425754      2.335905
  H     -11.832564      6.174374      2.321397
  H      -9.492250      5.642646      6.209448
  H      -7.058337      3.610971      7.817375
  H      -5.313275      1.815266      4.307379
  H      -6.013222      0.424115      5.126814
  H      -7.336282      2.015022      3.616485
  H      -9.679742      3.868523      1.904771
  N      -1.853964      3.096929      4.111432
  H      -0.930901      2.919092      3.724254
  H      -2.310414      3.885719      3.657178
95
Coordinates from ORCA-job orca E -6661.032939987930
  N      -1.016729      0.979248      5.330178
  Mo     -2.581180      2.246188      5.764277
  N      -4.154995      1.063585      5.887769
  C      -4.246390     -0.001317      6.892413
  C      -2.873053     -0.273989      7.464425
  N      -2.158107      1.021977      7.637213
  C      -0.690255      0.824237      7.711389
  C      -0.216421      0.334662      6.363388
  C      -2.646038      1.776863      8.824082
  C      -2.287395      3.232947      8.606079
  N      -2.683970      3.562001      7.234366
  H       0.855921      0.566917      6.225647
  H      -0.305273     -0.763904      6.279460
  H      -0.236047      1.793878      7.951210
  H      -0.442613      0.114398      8.517624
  H      -2.829434      3.861323      9.329297
  H      -1.213065      3.423877      8.761806
  H      -3.738574      1.677461      8.858166
  H      -2.215802      1.353385      9.746998
  H      -4.643968     -0.923358      6.432884
  H      -4.957240      0.303809      7.679122
  H      -2.292948     -0.885526      6.765237
  H      -2.927302     -0.807975      8.426712
  C      -7.410611      0.426287      0.456156
  C      -7.077398     -0.267448      1.748111
  O      -7.952299     -0.769764      2.446594
  C      -5.643226     -0.371544      2.205813
  C      -5.323109     -1.469301      3.005945
  C      -4.038649     -1.657158      3.525742
  O      -3.796495     -2.747884      4.274542
  C      -3.039394     -0.668155      3.285207
  C      -1.729785     -0.818414      3.919508
  O      -1.420906     -1.877627      4.515214
  C      -0.766495      0.361895      4.022473
  C      -3.370622      0.436155      2.474276
  C      -4.637114      0.586564      1.923873
  O      -4.964965      1.683244      1.169181
  C      -8.711445      9.524547      4.600016
  C      -8.097912      8.457212      3.745189
  O      -8.454129      8.327771      2.556548
  C      -7.081105      7.542809      4.304276
  C      -6.604502      7.678718      5.617421
  C      -5.659098      6.806160      6.146657
  O      -5.188874      6.932659      7.418863
  C      -5.176588      5.731014      5.348323
  C      -4.257254      4.720023      5.839155
  O      -4.012165      3.712045      5.107345
  C      -3.563215      4.719186      7.151008
  C      -5.652879      5.594209      4.030643
  C      -6.578684      6.481322      3.490392
  O      -6.991246      6.302633      2.225412
  C     -11.029896      5.435681      2.434476
  C     -10.366526      5.642288      3.775831
  O     -10.630491      6.644524      4.433861
  C      -9.380335      4.641562      4.315279
  C      -9.019757      4.829896      5.655212
  C      -8.072568      4.034253      6.292452
  O      -7.768631      4.288162      7.581456
  C      -7.419450      3.008930      5.545004
  C      -6.303673      2.286655      6.155050
  O      -6.001691      2.468254      7.354300
  C      -5.444377      1.360621      5.294531
  C      -7.798192      2.801412      4.208834
  C      -8.767300      3.583217      3.585731
  O      -9.010792      3.268632      2.281557
  H      -7.482825      1.509344      0.641974
  H      -8.384209      0.065922      0.104161
  H      -6.634303      0.280971     -0.305795
  H      -6.100200     -2.201312      3.228721
  H      -2.811957     -2.696931      4.500039
  H       0.264498     -0.022258      3.971910
  H      -0.910973      1.075789      3.206388
  H      -2.633891      1.220327      2.296615
  H      -4.168301      2.231548      1.050198
  H      -9.253372      9.064116      5.440205
  H      -7.942719     10.189117      5.021366
  H      -9.412860     10.109334      3.996533
  H      -6.987911      8.482823      6.248323
  H      -5.653087      7.667290      7.861929
  H      -3.024839      5.675032      7.303399
  H      -4.329942      4.693858      7.949209
  H      -5.298648      4.766580      3.418127
  H      -7.639318      7.070352      2.060315
  H     -10.302007      5.614014      1.622193
  H     -11.455116      4.424220      2.331791
  H     -11.832246      6.172461      2.317536
  H      -9.494051      5.641557      6.206780
  H      -7.059540      3.611728      7.815969
  H      -5.311308      1.816025      4.306995
  H      -6.011717      0.425075      5.126482
  H      -7.332311      2.017247      3.614052
  H      -9.675066      3.870182      1.900800
  N      -1.854758      3.095828      4.109572
  H      -0.931704      2.917842      3.722401
  H      -2.310482      3.885597      3.656291
95
Coordinates from ORCA-job orca E -6661.032940630054
  N      -1.016803      0.978993      5.329610
  Mo     -2.579328      2.247644      5.764001
  N      -4.153742      1.066202      5.887609
  C      -4.246196      0.001718      6.892579
  C      -2.873172     -0.272122      7.464903
  N      -2.156783      1.023114      7.637118
  C      -0.689119      0.823722      7.710760
  C      -0.216332      0.333917      6.362489
  C      -2.643402      1.778742      8.824071
  C      -2.283145      3.234319      8.605379
  N      -2.681154      3.563634      7.234049
  H       0.856070      0.565386      6.223977
  H      -0.306088     -0.764570      6.278593
  H      -0.233755      1.792770      7.950756
  H      -0.442068      0.113365      8.516716
  H      -2.823073      3.863729      9.329252
  H      -1.208307      3.423567      8.759379
  H      -3.736029      1.680404      8.858725
  H      -2.213149      1.355150      9.746939
  H      -4.644465     -0.920085      6.433143
  H      -4.956941      0.307614      7.679071
  H      -2.293638     -0.884801      6.766249
  H      -2.928183     -0.805306      8.427588
  C      -7.411690      0.420779      0.454996
  C      -7.079265     -0.272387      1.747476
  O      -7.954447     -0.774797      2.445487
  C      -5.645369     -0.374815      2.206724
  C      -5.325035     -1.471890      3.007632
  C      -4.040621     -1.658906      3.528007
  O      -3.798269     -2.749166      4.277318
  C      -3.041573     -0.669747      3.287019
  C      -1.731810     -0.819463      3.920915
  O      -1.422845     -1.878109      4.517754
  C      -0.768070      0.360520      4.022044
  C      -3.373247      0.434220      2.475730
  C      -4.639640      0.583846      1.924989
  O      -4.968009      1.680349      1.170281
  C      -8.714167      9.523408      4.605881
  C      -8.098409      8.458437      3.749694
  O      -8.453670      8.330411      2.560603
  C      -7.081168      7.544157      4.308101
  C      -6.605875      7.678261      5.621920
  C      -5.659914      6.805866      6.150385
  O      -5.190985      6.930480      7.423265
  C      -5.175519      5.732680      5.350551
  C      -4.255701      4.721735      5.840543
  O      -4.009317      3.714964      5.107568
  C      -3.562273      4.719616      7.152676
  C      -5.650510      5.597677      4.032229
  C      -6.576788      6.484764      3.492712
  O      -6.988131      6.307874      2.227100
  C     -11.029825      5.434618      2.430021
  C     -10.367583      5.641669      3.771875
  O     -10.633211      6.643276      4.430140
  C      -9.380292      4.642026      4.311420
  C      -9.020895      4.830105      5.651692
  C      -8.073138      4.035344      6.289193
  O      -7.770387      4.288981      7.578515
  C      -7.418269      3.011172      5.541728
  C      -6.302524      2.289610      6.152601
  O      -6.001610      2.471448      7.352087
  C      -5.442410      1.363504      5.293018
  C      -7.795634      2.804051      4.205088
  C      -8.765235      3.584981      3.581694
  O      -9.007374      3.270922      2.277131
  H      -7.484052      1.503921      0.640144
  H      -8.384863      0.059990      0.102290
  H      -6.634635      0.275105     -0.306146
  H      -6.101723     -2.204326      3.230410
  H      -2.813776     -2.697545      4.503234
  H       0.262839     -0.023767      3.970861
  H      -0.913272      1.073934      3.205699
  H      -2.637089      1.219019      2.298324
  H      -4.171293      2.228265      1.049855
  H      -9.255456      9.061059      5.445426
  H      -7.946642     10.188728      5.028258
  H      -9.416431     10.107811      4.003020
  H      -6.990862      8.480723      6.253951
  H      -5.656412      7.663741      7.867326
  H      -3.025493      5.675989      7.307185
  H      -4.329217      4.691303      7.950592
  H      -5.294898      4.771478      3.418583
  H      -7.637310      7.074904      2.063008
  H     -10.301901      5.614780      1.618152
  H     -11.452913      4.422346      2.326595
  H     -11.833514      6.169925      2.313021
  H      -9.496643      5.640866      6.203337
  H      -7.060415      3.613489      7.813092
  H      -5.308104      1.818805      4.305612
  H      -6.009701      0.427996      5.124518
  H      -7.328095      2.020997      3.610153
  H      -9.671654      3.872336      1.896135
  N      -1.855174      3.093703      4.106378
  H      -0.931936      2.915650      3.719646
  H      -2.309745      3.884804      3.654256
