92
Coordinates from ORCA-job orca E -6200.565352574851
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  H      -1.374396      4.754331      4.204801
  H      -3.032528      4.677393      4.099477
92
Coordinates from ORCA-job orca E -6200.582653066772
  N      -2.578740      4.436873      7.337336
  Mo     -2.210139      2.880594      6.156635
  N      -2.445604      1.485399      7.550357
  C      -1.371789      1.300295      8.513214
  C      -0.641850      2.618586      8.759569
  N      -0.346142      3.285517      7.473013
  C      -0.229672      4.745329      7.651015
  C      -1.620768      5.317713      7.939128
  C       0.870598      2.742005      6.838937
  C       0.586113      2.684792      5.332687
  N      -0.681612      2.008446      5.184154
  H      -1.698458      6.341477      7.520896
  H      -1.802352      5.406616      9.030685
  H       0.151392      5.167099      6.713246
  H       0.479069      4.981888      8.460801
  H       1.405076      2.173965      4.805085
  H       0.523053      3.712423      4.933003
  H       1.036691      1.717987      7.194930
  H       1.754457      3.352474      7.076536
  H      -1.755049      0.936904      9.481285
  H      -0.653568      0.535693      8.146276
  H      -1.304103      3.268660      9.341896
  H       0.284804      2.455491      9.333054
  C      -3.961429      4.781084      7.540622
  C      -4.715005      3.992790      6.516450
  C      -5.953191      4.244940      6.063644
  C      -6.602033      3.561006      4.960543
  N      -5.811517      2.966605      4.046962
  C      -6.404689      2.401390      2.985031
  N      -7.686198      2.390152      2.682590
  C      -8.524506      2.957195      3.599233
  C      -9.913315      2.957360      3.348471
  C     -10.783992      3.519009      4.259191
  C     -10.297659      4.093826      5.447098
  C      -8.944151      4.114511      5.713016
  C      -8.023317      3.569541      4.790469
  C      -0.620762      0.708843      4.522785
  C      -1.423711     -0.365818      5.192655
  C      -2.380572     -1.150208      4.648710
  C      -2.992971     -1.073201      3.329764
  N      -2.908165      0.073590      2.636767
  C      -3.595734      0.172557      1.488434
  N      -4.392146     -0.722915      0.945084
  C      -4.465503     -1.926635      1.583478
  C      -5.272390     -2.941763      1.024667
  C      -5.337730     -4.180662      1.623098
  C      -4.594800     -4.447363      2.789407
  C      -3.810661     -3.469525      3.364058
  C      -3.739111     -2.178243      2.792317
  C      -3.555587      0.552192      7.756230
  C      -4.778945      1.215104      8.323141
  C      -6.037957      1.196744      7.836319
  C      -6.546784      0.605001      6.609211
  N      -5.680555      0.197789      5.667575
  C      -6.173635     -0.243756      4.502621
  N      -7.435357     -0.419301      4.170566
  C      -8.356648     -0.052190      5.109901
  C      -9.726368     -0.228652      4.818403
  C     -10.685224      0.125629      5.742784
  C     -10.304900      0.658039      6.987696
  C      -8.973180      0.837376      7.298400
  C      -7.961168      0.486226      6.376440
  H      -4.144760      5.868731      7.410620
  H      -4.294801      4.524125      8.574430
  H      -4.136083      3.116306      6.163087
  H      -6.522813      5.046372      6.537982
  H      -5.732712      1.913032      2.273002
  H     -10.261715      2.496311      2.426873
  H     -11.854652      3.513493      4.062152
  H     -10.995740      4.523488      6.163470
  H      -8.581770      4.552253      6.641479
  H       0.428581      0.354697      4.518265
  H      -0.938387      0.798893      3.473338
  H      -1.114012     -0.594066      6.213925
  H      -2.767121     -1.955364      5.273338
  H      -3.492707      1.126559      0.961621
  H      -5.820603     -2.709466      0.114460
  H      -5.957309     -4.963283      1.189032
  H      -4.637685     -5.438099      3.238975
  H      -3.230197     -3.704136      4.253355
  H      -3.253973     -0.236666      8.470333
  H      -3.818374      0.063044      6.814630
  H      -4.610317      1.749428      9.261957
  H      -6.790383      1.718671      8.426279
  H      -5.431928     -0.494002      3.742773
  H      -9.984376     -0.643973      3.846626
  H     -11.740571     -0.006527      5.511615
  H     -11.068821      0.930941      7.713268
  H      -8.707482      1.239694      8.273520
  N      -2.180220      4.295857      4.576172
  H      -1.345936      4.726598      4.172979
  H      -2.998588      4.656159      4.083128
92
Coordinates from ORCA-job orca E -6200.590419778158
  N      -2.588314      4.432240      7.350391
  Mo     -2.185758      2.878159      6.159994
  N      -2.430425      1.470393      7.573783
  C      -1.348672      1.294363      8.538280
  C      -0.627427      2.614285      8.783294
  N      -0.326218      3.287784      7.491624
  C      -0.235105      4.756782      7.667931
  C      -1.633966      5.311379      7.956346
  C       0.898969      2.748234      6.853022
  C       0.621525      2.690185      5.347392
  N      -0.642200      2.004935      5.190549
  H      -1.712953      6.339519      7.539989
  H      -1.814628      5.400555      9.051898
  H       0.146068      5.179449      6.727889
  H       0.474222      5.000529      8.478372
  H       1.445738      2.180940      4.820222
  H       0.561781      3.721449      4.946755
  H       1.067632      1.724396      7.214870
  H       1.778637      3.366437      7.101865
  H      -1.731224      0.932671      9.509567
  H      -0.623091      0.527654      8.178069
  H      -1.293862      3.268680      9.359948
  H       0.302062      2.461949      9.360741
  C      -3.983192      4.769749      7.530991
  C      -4.732448      3.986161      6.494969
  C      -5.967242      4.225636      6.025832
  C      -6.601801      3.535451      4.908875
  N      -5.805288      2.975611      3.984577
  C      -6.398895      2.418183      2.906221
  N      -7.693510      2.373469      2.616992
  C      -8.531661      2.901359      3.558839
  C      -9.930330      2.870122      3.331493
  C     -10.802373      3.397409      4.266104
  C     -10.310525      3.970877      5.460970
  C      -8.949792      4.022557      5.704778
  C      -8.028309      3.511569      4.755273
  C      -0.593010      0.704593      4.524393
  C      -1.422044     -0.357954      5.183840
  C      -2.388313     -1.126532      4.627883
  C      -2.990193     -1.031662      3.295466
  N      -2.891258      0.116334      2.614490
  C      -3.561931      0.224341      1.444678
  N      -4.354972     -0.672392      0.876883
  C      -4.441115     -1.877340      1.516799
  C      -5.244748     -2.895340      0.943814
  C      -5.323446     -4.137019      1.541562
  C      -4.596454     -4.409016      2.725130
  C      -3.817706     -3.430750      3.313896
  C      -3.734371     -2.134162      2.741126
  C      -3.547052      0.537795      7.784641
  C      -4.759461      1.225173      8.347412
  C      -6.024200      1.216992      7.866272
  C      -6.553422      0.567693      6.668223
  N      -5.703533      0.036151      5.777692
  C      -6.211118     -0.488149      4.644490
  N      -7.486119     -0.603913      4.299139
  C      -8.389975     -0.092323      5.190327
  C      -9.771318     -0.195602      4.892477
  C     -10.714811      0.295338      5.774557
  C     -10.310735      0.898114      6.987330
  C      -8.968929      1.009485      7.304478
  C      -7.972692      0.518112      6.422595
  H      -4.173400      5.858451      7.402561
  H      -4.329312      4.507353      8.561203
  H      -4.163445      3.097572      6.138522
  H      -6.546018      5.021886      6.505977
  H      -5.720098      1.962229      2.176189
  H     -10.284462      2.411047      2.405160
  H     -11.880546      3.365698      4.085424
  H     -11.010954      4.372145      6.198647
  H      -8.582834      4.455521      6.638663
  H       0.455594      0.336739      4.529737
  H      -0.902224      0.803594      3.472538
  H      -1.132578     -0.591520      6.214867
  H      -2.792939     -1.928746      5.251189
  H      -3.445718      1.182232      0.922792
  H      -5.781006     -2.661004      0.021072
  H      -5.941668     -4.920654      1.095155
  H      -4.649428     -5.403627      3.175432
  H      -3.250388     -3.671132      4.215149
  H      -3.242453     -0.245093      8.507580
  H      -3.815273      0.040543      6.846658
  H      -4.577567      1.796081      9.267810
  H      -6.758801      1.796589      8.431840
  H      -5.468065     -0.860207      3.927034
  H     -10.050684     -0.668401      3.947803
  H     -11.779313      0.218165      5.536155
  H     -11.065002      1.280412      7.680667
  H      -8.683644      1.469837      8.252655
  N      -2.204803      4.255826      4.565957
  H      -1.385355      4.679168      4.131179
  H      -3.037730      4.593775      4.086344
92
Coordinates from ORCA-job orca E -6200.597080842750
  N      -2.592864      4.447617      7.348029
  Mo     -2.163528      2.880901      6.164186
  N      -2.422185      1.467315      7.605101
  C      -1.333964      1.302605      8.567541
  C      -0.618830      2.623888      8.803783
  N      -0.311530      3.291691      7.504500
  C      -0.234545      4.768024      7.666726
  C      -1.635142      5.322347      7.949441
  C       0.916592      2.743806      6.867779
  C       0.647828      2.673428      5.362625
  N      -0.613642      1.987617      5.201193
  H      -1.703859      6.350160      7.525490
  H      -1.813506      5.424819      9.046044
  H       0.150469      5.178726      6.722125
  H       0.475855      5.019706      8.474824
  H       1.473930      2.157698      4.841450
  H       0.597305      3.703385      4.953320
  H       1.080056      1.723941      7.244411
  H       1.793616      3.365332      7.123121
  H      -1.714007      0.945571      9.542640
  H      -0.603795      0.533939      8.215151
  H      -1.285084      3.287698      9.370903
  H       0.312718      2.482793      9.382534
  C      -3.992495      4.794415      7.498537
  C      -4.742221      4.009761      6.461396
  C      -5.968103      4.239863      5.968603
  C      -6.591319      3.508717      4.865004
  N      -5.791840      2.863715      4.008291
  C      -6.379707      2.252723      2.948950
  N      -7.672570      2.230192      2.627066
  C      -8.510374      2.856928      3.506554
  C      -9.904932      2.877010      3.237118
  C     -10.776168      3.515180      4.100833
  C     -10.291531      4.152458      5.270627
  C      -8.936874      4.154300      5.555470
  C      -8.014484      3.530359      4.673119
  C      -0.582657      0.686636      4.537354
  C      -1.445125     -0.353353      5.189539
  C      -2.422333     -1.100689      4.622999
  C      -3.008160     -0.985384      3.279608
  N      -2.888374      0.165030      2.614721
  C      -3.537148      0.286854      1.427603
  N      -4.326425     -0.602101      0.833139
  C      -4.432265     -1.809299      1.467761
  C      -5.233916     -2.821640      0.874800
  C      -5.332588     -4.066604      1.463984
  C      -4.626902     -4.352175      2.661409
  C      -3.851999     -3.381269      3.269388
  C      -3.751088     -2.079687      2.704166
  C      -3.530991      0.524891      7.813907
  C      -4.745019      1.190756      8.396891
  C      -6.020349      1.170632      7.938866
  C      -6.561051      0.540628      6.729616
  N      -5.722334      0.069371      5.799516
  C      -6.246644     -0.434220      4.659113
  N      -7.530359     -0.566580      4.336998
  C      -8.419382     -0.116490      5.274766
  C      -9.808162     -0.256564      5.017625
  C     -10.738518      0.155587      5.953065
  C     -10.316497      0.718209      7.182799
  C      -8.968696      0.867531      7.460816
  C      -7.985469      0.453437      6.522579
  H      -4.178028      5.882838      7.357362
  H      -4.355497      4.543138      8.525725
  H      -4.195233      3.098658      6.112271
  H      -6.542051      5.059728      6.416068
  H      -5.698948      1.725261      2.271546
  H     -10.255711      2.368462      2.334125
  H     -11.849815      3.522332      3.886850
  H     -10.993469      4.640043      5.954341
  H      -8.576578      4.637472      6.467819
  H       0.460389      0.298159      4.554888
  H      -0.880408      0.791942      3.482220
  H      -1.178881     -0.590240      6.227348
  H      -2.849117     -1.894923      5.242707
  H      -3.402826      1.246807      0.915151
  H      -5.752962     -2.579039     -0.057129
  H      -5.949354     -4.843735      1.001667
  H      -4.694654     -5.349732      3.105323
  H      -3.301881     -3.633360      4.178968
  H      -3.207051     -0.260258      8.527252
  H      -3.798500      0.030342      6.874086
  H      -4.561780      1.753860      9.323481
  H      -6.752020      1.722920      8.535483
  H      -5.507467     -0.764171      3.915376
  H     -10.104143     -0.696667      4.060883
  H     -11.808043      0.048854      5.745109
  H     -11.061663      1.039740      7.917388
  H      -8.667687      1.294037      8.420525
  N      -2.231614      4.204535      4.550677
  H      -1.426295      4.617212      4.081775
  H      -3.081146      4.517213      4.083456
92
Coordinates from ORCA-job orca E -6200.605102161300
  N      -2.611278      4.444017      7.345675
  Mo     -2.146317      2.871498      6.168802
  N      -2.410843      1.458632      7.630133
  C      -1.321642      1.303590      8.586123
  C      -0.618519      2.629993      8.814425
  N      -0.312686      3.289593      7.511571
  C      -0.252664      4.768417      7.660806
  C      -1.655014      5.319219      7.944754
  C       0.918754      2.741106      6.882480
  C       0.661551      2.653585      5.377163
  N      -0.594162      1.964893      5.209688
  H      -1.719559      6.346661      7.520200
  H      -1.827531      5.428505      9.040866
  H       0.130388      5.170538      6.712753
  H       0.458278      5.030188      8.463947
  H       1.492481      2.135857      4.866522
  H       0.615521      3.679059      4.958229
  H       1.081759      1.727824      7.273618
  H       1.788425      3.369027      7.142316
  H      -1.696731      0.948771      9.563884
  H      -0.587574      0.537523      8.238911
  H      -1.286915      3.297394      9.372803
  H       0.314048      2.502752      9.392625
  C      -4.009948      4.796816      7.472684
  C      -4.756677      4.014942      6.434975
  C      -5.977296      4.243842      5.930238
  C      -6.589523      3.496135      4.831569
  N      -5.782884      2.831232      4.001005
  C      -6.359030      2.199199      2.949774
  N      -7.645091      2.167689      2.618086
  C      -8.490716      2.815626      3.471907
  C      -9.880385      2.831376      3.184213
  C     -10.758816      3.494028      4.016886
  C     -10.288483      4.160688      5.174260
  C      -8.940070      4.166391      5.476823
  C      -8.009640      3.517221      4.624730
  C      -0.570895      0.671761      4.539055
  C      -1.464217     -0.346799      5.181301
  C      -2.451801     -1.071933      4.605973
  C      -3.022205     -0.939445      3.259313
  N      -2.886196      0.216382      2.607157
  C      -3.513080      0.349088      1.412685
  N      -4.294402     -0.529027      0.798719
  C      -4.421739     -1.738310      1.424259
  C      -5.222364     -2.738499      0.813176
  C      -5.343482     -3.984138      1.392369
  C      -4.661783     -4.283138      2.597817
  C      -3.888660     -3.323956      3.222880
  C      -3.766086     -2.022671      2.667251
  C      -3.511993      0.515822      7.841024
  C      -4.719122      1.177273      8.437650
  C      -6.000007      1.150041      8.000556
  C      -6.553416      0.497312      6.810594
  N      -5.724001     -0.012502      5.894889
  C      -6.256342     -0.542892      4.772727
  N      -7.538008     -0.649487      4.448436
  C      -8.417480     -0.154182      5.369836
  C      -9.806810     -0.267666      5.109917
  C     -10.729592      0.180722      6.032208
  C     -10.301198      0.756291      7.251722
  C      -8.953724      0.883094      7.531182
  C      -7.977817      0.431115      6.605283
  H      -4.192435      5.883956      7.324729
  H      -4.387570      4.551572      8.494685
  H      -4.226931      3.088553      6.090540
  H      -6.550562      5.071897      6.359398
  H      -5.672731      1.657697      2.292192
  H     -10.220495      2.300617      2.292603
  H     -11.827388      3.498264      3.789510
  H     -10.997075      4.666188      5.833835
  H      -8.592165      4.670855      6.379481
  H       0.464237      0.265190      4.568511
  H      -0.853697      0.785445      3.480714
  H      -1.221127     -0.583828      6.222411
  H      -2.901511     -1.854812      5.220703
  H      -3.366437      1.311171      0.911125
  H      -5.723026     -2.486009     -0.123648
  H      -5.959526     -4.750693      0.916894
  H      -4.747259     -5.280408      3.034211
  H      -3.357712     -3.585785      4.138703
  H      -3.178646     -0.269723      8.548663
  H      -3.784210      0.022012      6.903169
  H      -4.524633      1.754995      9.350261
  H      -6.720165      1.714844      8.595126
  H      -5.523340     -0.914294      4.046835
  H     -10.109157     -0.718522      4.162673
  H     -11.798139      0.093377      5.822465
  H     -11.040908      1.106990      7.974745
  H      -8.647330      1.321712      8.481116
  N      -2.267599      4.140544      4.535799
  H      -1.477461      4.531434      4.023050
  H      -3.135407      4.432241      4.086338
92
Coordinates from ORCA-job orca E -6200.611790752750
  N      -2.640998      4.431390      7.357960
  Mo     -2.129407      2.861396      6.173513
  N      -2.396352      1.436117      7.642285
  C      -1.306862      1.289060      8.589704
  C      -0.618956      2.621962      8.814302
  N      -0.324803      3.282163      7.510137
  C      -0.283012      4.761622      7.657302
  C      -1.685210      5.305942      7.954283
  C       0.910155      2.744307      6.878528
  C       0.662249      2.649170      5.373550
  N      -0.583650      1.949399      5.200900
  H      -1.749063      6.335997      7.537652
  H      -1.844216      5.414028      9.051817
  H       0.093073      5.163133      6.706986
  H       0.431565      5.028726      8.454524
  H       1.500942      2.138567      4.869346
  H       0.613314      3.672657      4.951392
  H       1.079528      1.735226      7.275269
  H       1.769673      3.381452      7.144997
  H      -1.672239      0.929916      9.569645
  H      -0.568823      0.529466      8.240645
  H      -1.289819      3.286260      9.371400
  H       0.317902      2.508895      9.387094
  C      -4.033275      4.784421      7.478239
  C      -4.782685      4.009852      6.440085
  C      -6.003562      4.243796      5.935574
  C      -6.613675      3.495218      4.839146
  N      -5.802846      2.824439      4.017829
  C      -6.370341      2.194590      2.964227
  N      -7.646601      2.171340      2.621628
  C      -8.499408      2.826805      3.461612
  C      -9.883213      2.844889      3.156683
  C     -10.768044      3.509831      3.975972
  C     -10.310311      4.175821      5.135757
  C      -8.968355      4.178245      5.454917
  C      -8.031102      3.523881      4.618687
  C      -0.555507      0.666346      4.519981
  C      -1.456234     -0.343168      5.164694
  C      -2.447918     -1.065365      4.595296
  C      -3.019554     -0.932911      3.253367
  N      -2.896749      0.229097      2.606088
  C      -3.516861      0.355266      1.412586
  N      -4.279165     -0.528637      0.793294
  C      -4.399074     -1.740548      1.414308
  C      -5.185252     -2.745207      0.797416
  C      -5.297223     -3.991809      1.372078
  C      -4.619880     -4.286290      2.577382
  C      -3.860339     -3.321996      3.207258
  C      -3.749151     -2.021284      2.656643
  C      -3.487661      0.488848      7.845947
  C      -4.688300      1.148513      8.452246
  C      -5.972138      1.135599      8.024232
  C      -6.537948      0.492355      6.839036
  N      -5.718633     -0.033880      5.922101
  C      -6.260814     -0.560743      4.806480
  N      -7.539112     -0.643127      4.485044
  C      -8.409637     -0.129803      5.404271
  C      -9.798368     -0.212703      5.139621
  C     -10.713124      0.255912      6.056308
  C     -10.277375      0.823255      7.273859
  C      -8.930457      0.923512      7.555895
  C      -7.962712      0.451419      6.634828
  H      -4.209764      5.870380      7.329944
  H      -4.424480      4.541673      8.495879
  H      -4.274650      3.073965      6.089432
  H      -6.571875      5.078149      6.354918
  H      -5.681407      1.648771      2.314728
  H     -10.213292      2.314036      2.263608
  H     -11.832014      3.517529      3.736421
  H     -11.024733      4.683808      5.783855
  H      -8.631815      4.682275      6.359870
  H       0.476990      0.256592      4.551672
  H      -0.833309      0.781759      3.460225
  H      -1.217657     -0.573635      6.206151
  H      -2.899219     -1.843133      5.212957
  H      -3.382276      1.321055      0.915797
  H      -5.683065     -2.495670     -0.139575
  H      -5.902754     -4.761868      0.893089
  H      -4.698010     -5.283844      3.010311
  H      -3.331939     -3.579143      4.124136
  H      -3.151156     -0.305122      8.542563
  H      -3.762437      0.003815      6.905515
  H      -4.484131      1.724736      9.361362
  H      -6.680166      1.706877      8.623782
  H      -5.536666     -0.950651      4.084602
  H     -10.107139     -0.656980      4.193416
  H     -11.780798      0.191214      5.843831
  H     -11.011029      1.189723      7.992224
  H      -8.617594      1.358185      8.503711
  N      -2.333955      4.071675      4.530657
  H      -1.570795      4.447633      3.968113
  H      -3.226869      4.337132      4.113212
92
Coordinates from ORCA-job orca E -6200.619394753813
  N      -2.675125      4.416442      7.371493
  Mo     -2.112893      2.850358      6.173607
  N      -2.382307      1.408916      7.643574
  C      -1.294344      1.265804      8.585123
  C      -0.620085      2.605520      8.811398
  N      -0.338460      3.271221      7.507786
  C      -0.313842      4.750665      7.660464
  C      -1.717315      5.289585      7.968591
  C       0.901619      2.748079      6.871334
  C       0.664149      2.651204      5.364492
  N      -0.573286      1.937315      5.184378
  H      -1.779673      6.323062      7.563240
  H      -1.864225      5.392794      9.067200
  H       0.057102      5.156115      6.710677
  H       0.401723      5.020070      8.455040
  H       1.512150      2.151904      4.866119
  H       0.609943      3.673949      4.942965
  H       1.078971      1.741430      7.268039
  H       1.750058      3.394124      7.146182
  H      -1.650258      0.899466      9.565850
  H      -0.553488      0.513459      8.231565
  H      -1.294427      3.263164      9.369837
  H       0.320019      2.503996      9.379484
  C      -4.057780      4.772312      7.494251
  C      -4.814728      4.008544      6.455486
  C      -6.040709      4.252673      5.962028
  C      -6.657314      3.515285      4.867333
  N      -5.846212      2.846142      4.042228
  C      -6.409036      2.229944      2.984196
  N      -7.673843      2.219375      2.637266
  C      -8.532509      2.871798      3.473559
  C      -9.910037      2.892948      3.156307
  C     -10.799143      3.549184      3.973139
  C     -10.350528      4.201191      5.139740
  C      -9.014436      4.199428      5.470309
  C      -8.072777      3.551923      4.639773
  C      -0.528162      0.665493      4.489869
  C      -1.423686     -0.344910      5.139906
  C      -2.416526     -1.073685      4.584202
  C      -3.002752     -0.947830      3.255161
  N      -2.908281      0.221594      2.609347
  C      -3.537659      0.337201      1.427759
  N      -4.283334     -0.555101      0.815110
  C      -4.381186     -1.771114      1.430441
  C      -5.154666     -2.782607      0.817178
  C      -5.242840     -4.030755      1.387909
  C      -4.553522     -4.316931      2.582971
  C      -3.805116     -3.344306      3.208599
  C      -3.719169     -2.044696      2.662914
  C      -3.465456      0.459038      7.835383
  C      -4.658439      1.128050      8.441097
  C      -5.942330      1.133662      8.014036
  C      -6.515409      0.494943      6.837000
  N      -5.702439     -0.057505      5.925963
  C      -6.249453     -0.586360      4.819191
  N      -7.520444     -0.647417      4.497314
  C      -8.387428     -0.108215      5.404813
  C      -9.772411     -0.163688      5.128185
  C     -10.683624      0.334162      6.029188
  C     -10.246906      0.904354      7.240351
  C      -8.902949      0.979986      7.531677
  C      -7.939059      0.479356      6.626501
  H      -4.225240      5.858011      7.352032
  H      -4.460450      4.528292      8.507876
  H      -4.332633      3.066175      6.094538
  H      -6.602689      5.089220      6.380432
  H      -5.720217      1.687341      2.333049
  H     -10.231999      2.371685      2.257329
  H     -11.859110      3.561371      3.726094
  H     -11.068819      4.702958      5.784766
  H      -8.686568      4.693412      6.381642
  H       0.504692      0.261812      4.521001
  H      -0.802836      0.780428      3.428818
  H      -1.179210     -0.567004      6.179278
  H      -2.857219     -1.850513      5.208085
  H      -3.427773      1.307450      0.933964
  H      -5.662780     -2.538064     -0.113013
  H      -5.839247     -4.807230      0.912867
  H      -4.613127     -5.315131      3.012565
  H      -3.265858     -3.593282      4.119458
  H      -3.134572     -0.345041      8.523079
  H      -3.741467     -0.016729      6.891927
  H      -4.445505      1.703769      9.345792
  H      -6.639959      1.717239      8.610503
  H      -5.533493     -1.000186      4.106171
  H     -10.081788     -0.610539      4.185855
  H     -11.748492      0.290171      5.808862
  H     -10.977610      1.293397      7.946329
  H      -8.588600      1.419237      8.475027
  N      -2.401457      4.003250      4.527307
  H      -1.667483      4.370899      3.921406
  H      -3.317812      4.239057      4.141103
92
Coordinates from ORCA-job orca E -6200.624275853845
  N      -2.693141      4.403053      7.371243
  Mo     -2.087985      2.835167      6.190545
  N      -2.355352      1.399635      7.676864
  C      -1.267396      1.278545      8.614379
  C      -0.615726      2.628307      8.824576
  N      -0.345154      3.278877      7.512663
  C      -0.339532      4.758947      7.642246
  C      -1.743213      5.284285      7.957290
  C       0.900464      2.761891      6.885663
  C       0.671266      2.642114      5.383004
  N      -0.553814      1.916388      5.201049
  H      -1.812994      6.316711      7.547611
  H      -1.880073      5.395870      9.057459
  H       0.021681      5.154588      6.683990
  H       0.380169      5.047130      8.427226
  H       1.528702      2.144872      4.897067
  H       0.613553      3.659408      4.947150
  H       1.085685      1.763250      7.299533
  H       1.740084      3.421435      7.159068
  H      -1.615534      0.916406      9.600367
  H      -0.514058      0.532643      8.268836
  H      -1.298190      3.286227      9.373667
  H       0.327762      2.550045      9.391696
  C      -4.077628      4.753016      7.476844
  C      -4.827373      3.981429      6.444060
  C      -6.051313      4.218725      5.943518
  C      -6.660482      3.463845      4.853097
  N      -5.848853      2.771171      4.051861
  C      -6.407788      2.140564      2.995543
  N      -7.671805      2.142796      2.630415
  C      -8.529279      2.825148      3.443787
  C      -9.904719      2.860986      3.110796
  C     -10.793557      3.542419      3.908596
  C     -10.348120      4.206502      5.072506
  C      -9.014818      4.190479      5.418213
  C      -8.073393      3.514459      4.607746
  C      -0.515868      0.650988      4.501307
  C      -1.429616     -0.345729      5.145476
  C      -2.434851     -1.054246      4.583743
  C      -3.014050     -0.906974      3.251417
  N      -2.909087      0.270338      2.624577
  C      -3.527343      0.405494      1.435239
  N      -4.271695     -0.476958      0.799964
  C      -4.384229     -1.699109      1.402092
  C      -5.160240     -2.699640      0.770223
  C      -5.264496     -3.953796      1.327611
  C      -4.588928     -4.258713      2.528453
  C      -3.838036     -3.297856      3.171903
  C      -3.735633     -1.991688      2.639431
  C      -3.429421      0.442293      7.862126
  C      -4.623041      1.108688      8.469552
  C      -5.908756      1.118361      8.046741
  C      -6.492603      0.468215      6.878373
  N      -5.692108     -0.115333      5.978841
  C      -6.251369     -0.660002      4.882021
  N      -7.526609     -0.702215      4.560238
  C      -8.380088     -0.127390      5.458413
  C      -9.767323     -0.152132      5.181092
  C     -10.665920      0.386809      6.072121
  C     -10.214894      0.970413      7.274488
  C      -8.868666      1.018848      7.564991
  C      -7.917125      0.476941      6.668270
  H      -4.250723      5.837926      7.321474
  H      -4.491915      4.519404      8.488448
  H      -4.349596      3.032050      6.092549
  H      -6.613816      5.065603      6.343483
  H      -5.716988      1.577313      2.363243
  H     -10.224943      2.329732      2.215839
  H     -11.851469      3.566238      3.649428
  H     -11.066925      4.728847      5.702074
  H      -8.689585      4.693839      6.326417
  H       0.512819      0.234585      4.537277
  H      -0.783750      0.771851      3.438980
  H      -1.196686     -0.570179      6.188131
  H      -2.894246     -1.823799      5.204434
  H      -3.407088      1.381975      0.955524
  H      -5.658088     -2.441513     -0.163095
  H      -5.863534     -4.720845      0.838383
  H      -4.661687     -5.261396      2.947714
  H      -3.310734     -3.560953      4.086678
  H      -3.094602     -0.363322      8.546419
  H      -3.702448     -0.031399      6.915913
  H      -4.406018      1.695343      9.367358
  H      -6.598925      1.715234      8.639931
  H      -5.542456     -1.106221      4.179835
  H     -10.088476     -0.608310      4.246073
  H     -11.732423      0.366033      5.851432
  H     -10.936590      1.391738      7.972684
  H      -8.542729      1.470292      8.499405
  N      -2.446813      3.904441      4.520131
  H      -1.740804      4.235540      3.863502
  H      -3.380457      4.110576      4.161718
92
Coordinates from ORCA-job orca E -6200.628958140856
  N      -2.719940      4.367168      7.376665
  Mo     -2.063936      2.808243      6.203156
  N      -2.324446      1.384480      7.673451
  C      -1.243567      1.274051      8.623008
  C      -0.614986      2.639006      8.836794
  N      -0.357986      3.285035      7.520965
  C      -0.366561      4.763217      7.643267
  C      -1.777594      5.266095      7.959716
  C       0.902494      2.791815      6.900323
  C       0.676863      2.664386      5.394890
  N      -0.541202      1.911137      5.210307
  H      -1.869031      6.298811      7.553442
  H      -1.912246      5.372111      9.062192
  H      -0.016832      5.165061      6.681593
  H       0.349795      5.070883      8.426723
  H       1.550475      2.183812      4.919022
  H       0.600943      3.679109      4.952919
  H       1.109852      1.795264      7.312485
  H       1.732956      3.468015      7.168265
  H      -1.587118      0.905284      9.609384
  H      -0.474460      0.539841      8.278390
  H      -1.316480      3.280218      9.384403
  H       0.326732      2.576870      9.411984
  C      -4.099414      4.712854      7.496247
  C      -4.844718      3.932914      6.470846
  C      -6.085431      4.181966      6.005197
  C      -6.725890      3.463181      4.912165
  N      -5.939032      2.780710      4.068708
  C      -6.523563      2.190240      3.001543
  N      -7.794039      2.228775      2.653555
  C      -8.632846      2.897963      3.501740
  C     -10.012431      2.965467      3.190670
  C     -10.880663      3.632138      4.032494
  C     -10.403806      4.245029      5.213355
  C      -9.061761      4.197010      5.536596
  C      -8.142659      3.536694      4.685793
  C      -0.470717      0.653519      4.494455
  C      -1.359644     -0.367517      5.137252
  C      -2.363966     -1.090163      4.588712
  C      -2.976136     -0.945673      3.275695
  N      -2.915070      0.243838      2.658082
  C      -3.570063      0.381762      1.488097
  N      -4.313191     -0.510512      0.859612
  C      -4.386756     -1.744317      1.444735
  C      -5.160200     -2.751944      0.820468
  C      -5.225717     -4.016574      1.370648
  C      -4.514764     -4.319546      2.553265
  C      -3.763424     -3.349964      3.190091
  C      -3.695911     -2.035471      2.667055
  C      -3.398030      0.421507      7.826914
  C      -4.590594      1.125448      8.401189
  C      -5.866697      1.152337      7.947270
  C      -6.444994      0.466759      6.800711
  N      -5.648856     -0.199348      5.951884
  C      -6.208699     -0.786923      4.875222
  N      -7.482003     -0.807698      4.533512
  C      -8.335469     -0.149435      5.376267
  C      -9.717274     -0.139785      5.067762
  C     -10.612911      0.492578      5.905630
  C     -10.158894      1.133433      7.080017
  C      -8.814803      1.146534      7.397749
  C      -7.866341      0.513163      6.556961
  H      -4.280824      5.802070      7.346936
  H      -4.511151      4.475769      8.511184
  H      -4.359069      3.001384      6.126043
  H      -6.646241      5.024497      6.423800
  H      -5.846685      1.636782      2.339377
  H     -10.354604      2.470976      2.279906
  H     -11.945135      3.682011      3.792799
  H     -11.105106      4.756066      5.876557
  H      -8.710260      4.662467      6.459627
  H       0.564849      0.254018      4.525990
  H      -0.738958      0.776151      3.431616
  H      -1.104264     -0.587918      6.178684
  H      -2.803524     -1.870562      5.214742
  H      -3.486738      1.370397      1.019875
  H      -5.688150     -2.493118     -0.099052
  H      -5.824122     -4.792171      0.887914
  H      -4.559687     -5.329592      2.965800
  H      -3.208240     -3.606865      4.093388
  H      -3.091602     -0.394389      8.513314
  H      -3.663358     -0.047138      6.872002
  H      -4.371058      1.727859      9.291204
  H      -6.558702      1.788642      8.502344
  H      -5.508674     -1.302000      4.207522
  H     -10.036642     -0.642481      4.153249
  H     -11.677608      0.500714      5.662884
  H     -10.877390      1.627639      7.737419
  H      -8.487760      1.644882      8.311373
  N      -2.502794      3.805719      4.504877
  H      -1.827505      4.112114      3.805904
  H      -3.450963      3.978781      4.171471
92
Coordinates from ORCA-job orca E -6200.633866112234
  N      -2.731172      4.364695      7.368322
  Mo     -2.049911      2.800125      6.214431
  N      -2.307070      1.384245      7.688936
  C      -1.228019      1.285267      8.640240
  C      -0.612507      2.656938      8.849291
  N      -0.362255      3.292956      7.526300
  C      -0.378441      4.773846      7.629715
  C      -1.791000      5.270201      7.945948
  C       0.903146      2.798553      6.911740
  C       0.682990      2.654697      5.407680
  N      -0.534679      1.899643      5.222724
  H      -1.887598      6.301392      7.537254
  H      -1.922399      5.381897      9.048483
  H      -0.035334      5.165541      6.661771
  H       0.340370      5.096065      8.404721
  H       1.560226      2.169088      4.942929
  H       0.612117      3.663723      4.952663
  H       1.112098      1.807510      7.335317
  H       1.730600      3.478954      7.175822
  H      -1.569391      0.915353      9.627037
  H      -0.451363      0.557667      8.300239
  H      -1.319144      3.295553      9.392276
  H       0.329621      2.607255      9.424138
  C      -4.111615      4.713114      7.480089
  C      -4.860130      3.926721      6.462715
  C      -6.098905      4.180873      5.997819
  C      -6.745019      3.450495      4.915325
  N      -5.966325      2.735700      4.094358
  C      -6.556111      2.129223      3.038349
  N      -7.824972      2.182260      2.680444
  C      -8.653292      2.890708      3.505468
  C     -10.029683      2.977954      3.184754
  C     -10.889118      3.680900      4.004575
  C     -10.407842      4.312468      5.173684
  C      -9.069537      4.245168      5.506556
  C      -8.158637      3.545973      4.677758
  C      -0.467213      0.649597      4.497227
  C      -1.357901     -0.372455      5.134492
  C      -2.365832     -1.086223      4.583986
  C      -2.980942     -0.927191      3.272904
  N      -2.933164      0.270544      2.674135
  C      -3.589219      0.416134      1.504473
  N      -4.319534     -0.477288      0.860447
  C      -4.379430     -1.717919      1.431229
  C      -5.140430     -2.728029      0.795544
  C      -5.194403     -3.998043      1.333594
  C      -4.484296     -4.305336      2.515876
  C      -3.744263     -3.334430      3.162748
  C      -3.688692     -2.015137      2.651009
  C      -3.371446      0.408939      7.834761
  C      -4.573274      1.084572      8.425698
  C      -5.851928      1.104627      7.979406
  C      -6.433334      0.424760      6.830255
  N      -5.643905     -0.252189      5.986603
  C      -6.209435     -0.832621      4.908141
  N      -7.481553     -0.831979      4.558212
  C      -8.326664     -0.159800      5.396835
  C      -9.705226     -0.120321      5.077736
  C     -10.592619      0.531642      5.908073
  C     -10.134183      1.162648      7.085784
  C      -8.793289      1.147614      7.413464
  C      -7.852180      0.494562      6.579429
  H      -4.290248      5.799966      7.320235
  H      -4.527636      4.490223      8.496350
  H      -4.373871      2.989759      6.128405
  H      -6.649440      5.036942      6.399282
  H      -5.886533      1.545220      2.397551
  H     -10.376206      2.468881      2.284598
  H     -11.950059      3.746041      3.756629
  H     -11.102279      4.852840      5.819204
  H      -8.715087      4.724418      6.419746
  H       0.567389      0.247599      4.529157
  H      -0.732561      0.779712      3.434409
  H      -1.102137     -0.598105      6.174025
  H      -2.806594     -1.869235      5.204977
  H      -3.522366      1.412344      1.053025
  H      -5.669234     -2.466282     -0.121731
  H      -5.783908     -4.774106      0.842555
  H      -4.521534     -5.318404      2.919542
  H      -3.191485     -3.590698      4.067090
  H      -3.051549     -0.411983      8.508275
  H      -3.632651     -0.052948      6.875257
  H      -4.354188      1.686159      9.315082
  H      -6.542410      1.735192      8.540102
  H      -5.516482     -1.359199      4.244686
  H     -10.027964     -0.614487      4.160657
  H     -11.653962      0.563872      5.656699
  H     -10.846306      1.672586      7.736497
  H      -8.463283      1.641170      8.327174
  N      -2.557172      3.710331      4.493022
  H      -1.911109      3.961895      3.746243
  H      -3.520094      3.864458      4.189580
92
Coordinates from ORCA-job orca E -6200.639258265768
  N      -2.733840      4.364699      7.359187
  Mo     -2.040365      2.795843      6.219918
  N      -2.293544      1.388012      7.682712
  C      -1.218889      1.288339      8.644062
  C      -0.606830      2.662569      8.861999
  N      -0.357256      3.299671      7.535601
  C      -0.375507      4.785369      7.631089
  C      -1.793379      5.276350      7.939560
  C       0.913504      2.803559      6.920201
  C       0.695215      2.654586      5.413899
  N      -0.530414      1.902615      5.228456
  H      -1.895941      6.306429      7.532745
  H      -1.929894      5.386385      9.041025
  H      -0.035373      5.171709      6.660612
  H       0.342611      5.116258      8.401713
  H       1.571242      2.161383      4.955631
  H       0.632115      3.659374      4.951446
  H       1.121017      1.814049      7.346205
  H       1.741599      3.482012      7.181191
  H      -1.566180      0.910963      9.625118
  H      -0.439293      0.566892      8.305009
  H      -1.318231      3.295911      9.403300
  H       0.332261      2.614811      9.439782
  C      -4.116114      4.720630      7.473347
  C      -4.878266      3.930414      6.464575
  C      -6.116802      4.194775      6.011825
  C      -6.777288      3.456716      4.943686
  N      -6.012339      2.704238      4.145960
  C      -6.612330      2.084615      3.105080
  N      -7.877533      2.159660      2.737422
  C      -8.688738      2.912507      3.537893
  C     -10.059752      3.028920      3.206360
  C     -10.904710      3.773225      4.000558
  C     -10.416056      4.420308      5.156364
  C      -9.083950      4.325459      5.500115
  C      -8.186292      3.581966      4.696274
  C      -0.458807      0.660598      4.488874
  C      -1.334873     -0.376105      5.122093
  C      -2.340420     -1.091300      4.576270
  C      -2.973076     -0.923314      3.273119
  N      -2.958347      0.282029      2.693102
  C      -3.636376      0.427881      1.536208
  N      -4.353995     -0.473311      0.889159
  C      -4.376999     -1.720661      1.445452
  C      -5.123173     -2.741671      0.810791
  C      -5.143337     -4.015654      1.337568
  C      -4.414035     -4.318456      2.508266
  C      -3.687457     -3.338432      3.152705
  C      -3.665855     -2.015892      2.650219
  C      -3.354342      0.402931      7.817146
  C      -4.568820      1.045527      8.421071
  C      -5.848110      1.056036      7.978414
  C      -6.428129      0.384009      6.823570
  N      -5.640893     -0.301237      5.986232
  C      -6.207989     -0.873383      4.905076
  N      -7.477084     -0.858846      4.547181
  C      -8.318008     -0.177562      5.381017
  C      -9.692041     -0.118317      5.051238
  C     -10.575119      0.548278      5.871480
  C     -10.117742      1.173796      7.050114
  C      -8.781775      1.139135      7.389203
  C      -7.843616      0.471519      6.564602
  H      -4.286954      5.804720      7.309698
  H      -4.527078      4.509684      8.493518
  H      -4.384273      2.992197      6.138706
  H      -6.650255      5.063822      6.402448
  H      -5.955598      1.467568      2.485465
  H     -10.413621      2.507554      2.317711
  H     -11.960251      3.859817      3.742386
  H     -11.099037      4.994686      5.781879
  H      -8.724242      4.817178      6.402021
  H       0.578781      0.267561      4.518162
  H      -0.725075      0.798284      3.427205
  H      -1.067928     -0.607057      6.156370
  H      -2.768284     -1.882231      5.194383
  H      -3.604093      1.430900      1.100139
  H      -5.669245     -2.484098     -0.095839
  H      -5.722063     -4.798347      0.847383
  H      -4.426284     -5.333851      2.903845
  H      -3.120301     -3.584996      4.049464
  H      -3.024024     -0.424596      8.476599
  H      -3.607383     -0.048029      6.850957
  H      -4.354781      1.642087      9.313025
  H      -6.540456      1.674677      8.545882
  H      -5.521415     -1.408461      4.245590
  H     -10.013531     -0.607315      4.132565
  H     -11.631968      0.597467      5.610610
  H     -10.826284      1.695998      7.692200
  H      -8.454438      1.630950      8.302575
  N      -2.634704      3.615739      4.479099
  H      -2.022634      3.813622      3.688768
  H      -3.612234      3.749211      4.207352
92
Coordinates from ORCA-job orca E -6200.644195029402
  N      -2.734428      4.360847      7.347267
  Mo     -2.029019      2.787819      6.228105
  N      -2.277891      1.391532      7.678948
  C      -1.209335      1.294096      8.650346
  C      -0.602624      2.671115      8.874314
  N      -0.350993      3.306129      7.547089
  C      -0.375123      4.792707      7.629720
  C      -1.796957      5.278395      7.928322
  C       0.921951      2.810507      6.933506
  C       0.706094      2.657120      5.426673
  N      -0.521658      1.905445      5.238295
  H      -1.905599      6.306423      7.519654
  H      -1.940004      5.388857      9.028725
  H      -0.036995      5.170701      6.655113
  H       0.341149      5.135251      8.396596
  H       1.582200      2.158545      4.974574
  H       0.647676      3.658655      4.958005
  H       1.129857      1.822419      7.362605
  H       1.749829      3.489963      7.191860
  H      -1.564628      0.912187      9.626227
  H      -0.425326      0.577122      8.314511
  H      -1.320541      3.301447      9.410826
  H       0.333002      2.626793      9.457447
  C      -4.120005      4.722694      7.463611
  C      -4.897397      3.926971      6.467116
  C      -6.137276      4.198180      6.025251
  C      -6.811447      3.452866      4.968865
  N      -6.061511      2.669942      4.186690
  C      -6.673082      2.042221      3.157476
  N      -7.937156      2.136323      2.785786
  C      -8.730731      2.923822      3.570004
  C     -10.098499      3.067468      3.232688
  C     -10.927489      3.846502      4.009005
  C     -10.427243      4.504235      5.154320
  C      -9.098974      4.383881      5.503640
  C      -8.216793      3.603800      4.716702
  C      -0.447864      0.670563      4.484787
  C      -1.310941     -0.378799      5.115073
  C      -2.317246     -1.094425      4.573764
  C      -2.967327     -0.916890      3.277853
  N      -2.979005      0.295910      2.716582
  C      -3.677822      0.446926      1.571597
  N      -4.387736     -0.457976      0.919843
  C      -4.380700     -1.713136      1.458982
  C      -5.117361     -2.739973      0.821144
  C      -5.111422     -4.019398      1.333579
  C      -4.365388     -4.324309      2.493833
  C      -3.647109     -3.340115      3.140331
  C      -3.651155     -2.012055      2.650666
  C      -3.335356      0.400232      7.799782
  C      -4.555354      1.023189      8.413415
  C      -5.835140      1.027471      7.974448
  C      -6.413781      0.352722      6.819225
  N      -5.627252     -0.354803      6.000767
  C      -6.191686     -0.932214      4.920557
  N      -7.457093     -0.903614      4.548409
  C      -8.296157     -0.198407      5.364268
  C      -9.665308     -0.121435      5.017420
  C     -10.546317      0.572703      5.816092
  C     -10.092398      1.208576      6.990426
  C      -8.761755      1.155705      7.347210
  C      -7.824912      0.459584      6.544306
  H      -4.285950      5.806213      7.294323
  H      -4.521699      4.522737      8.488903
  H      -4.395932      2.989577      6.150928
  H      -6.656973      5.078531      6.408709
  H      -6.028884      1.399085      2.551510
  H     -10.462583      2.537904      2.352806
  H     -11.979887      3.952993      3.744774
  H     -11.097762      5.107341      5.766286
  H      -8.730000      4.884682      6.396864
  H       0.592820      0.285261      4.508677
  H      -0.718114      0.815967      3.425173
  H      -1.031780     -0.616492      6.144893
  H      -2.734393     -1.892591      5.189832
  H      -3.674532      1.457547      1.152589
  H      -5.678753     -2.481550     -0.076069
  H      -5.683648     -4.805423      0.840759
  H      -4.358815     -5.343913      2.878838
  H      -3.067948     -3.583543      4.030186
  H      -2.997915     -0.433303      8.447982
  H      -3.583063     -0.040581      6.827106
  H      -4.342588      1.618884      9.306651
  H      -6.528326      1.642663      8.544489
  H      -5.507695     -1.487341      4.274875
  H      -9.983444     -0.617718      4.101360
  H     -11.598745      0.637336      5.540567
  H     -10.799211      1.753895      7.615118
  H      -8.438719      1.657674      8.256492
  N      -2.707488      3.507054      4.473604
  H      -2.127859      3.643397      3.646957
  H      -3.695175      3.618262      4.230830
92
Coordinates from ORCA-job orca E -6200.648909747462
  N      -2.727935      4.360847      7.333647
  Mo     -2.022125      2.783975      6.233628
  N      -2.270037      1.397862      7.666893
  C      -1.209743      1.296496      8.651076
  C      -0.602272      2.672591      8.886812
  N      -0.339250      3.310209      7.564909
  C      -0.367725      4.795503      7.639160
  C      -1.793655      5.279783      7.922039
  C       0.932414      2.813069      6.954072
  C       0.721827      2.661149      5.445409
  N      -0.509277      1.915187      5.246687
  H      -1.903290      6.306922      7.512688
  H      -1.949097      5.387424      9.020866
  H      -0.026457      5.166369      6.662419
  H       0.343751      5.146244      8.407007
  H       1.596062      2.154884      4.998434
  H       0.672603      3.662292      4.975403
  H       1.136696      1.823928      7.383051
  H       1.762329      3.490403      7.213855
  H      -1.579518      0.909526      9.618952
  H      -0.424063      0.580580      8.318155
  H      -1.325911      3.302331      9.417455
  H       0.327426      2.624586      9.479357
  C      -4.117146      4.731705      7.452588
  C      -4.914674      3.935491      6.468846
  C      -6.154343      4.214816      6.033298
  C      -6.833986      3.464834      4.981179
  N      -6.090376      2.666217      4.208191
  C      -6.705208      2.034371      3.183772
  N      -7.968268      2.136166      2.809525
  C      -8.753873      2.939815      3.584895
  C     -10.120760      3.094625      3.243914
  C     -10.943599      3.889418      4.009907
  C     -10.439281      4.554595      5.150570
  C      -9.112815      4.424553      5.503160
  C      -8.236843      3.627719      4.725538
  C      -0.436409      0.687523      4.475901
  C      -1.289351     -0.373486      5.101461
  C      -2.295442     -1.091735      4.562640
  C      -2.956371     -0.914259      3.269313
  N      -2.985419      0.300189      2.713852
  C      -3.698884      0.449154      1.576818
  N      -4.403010     -0.461436      0.926740
  C      -4.374582     -1.719859      1.459411
  C      -5.103990     -2.753827      0.822609
  C      -5.080599     -4.034616      1.330156
  C      -4.324077     -4.336072      2.485531
  C      -3.612226     -3.346025      3.130219
  C      -3.633322     -2.016157      2.643853
  C      -3.326024      0.403215      7.771729
  C      -4.545742      1.009296      8.401295
  C      -5.829309      1.010075      7.975157
  C      -6.413054      0.339197      6.818701
  N      -5.628517     -0.377327      6.006300
  C      -6.193274     -0.954377      4.925754
  N      -7.458153     -0.919616      4.551454
  C      -8.294893     -0.205429      5.362854
  C      -9.663804     -0.122784      5.013337
  C     -10.542238      0.582525      5.805016
  C     -10.086405      1.225194      6.975644
  C      -8.756650      1.165476      7.336510
  C      -7.822693      0.456455      6.540883
  H      -4.275048      5.816534      7.279639
  H      -4.505239      4.539536      8.483210
  H      -4.408876      3.000067      6.159984
  H      -6.662703      5.103260      6.414849
  H      -6.066852      1.378215      2.584929
  H     -10.488848      2.559698      2.368188
  H     -11.994743      4.003257      3.741387
  H     -11.105091      5.171182      5.755117
  H      -8.740387      4.931269      6.392600
  H       0.607110      0.309241      4.494214
  H      -0.710466      0.842019      3.418856
  H      -1.001754     -0.617676      6.128168
  H      -2.705359     -1.893553      5.179294
  H      -3.715324      1.463163      1.164529
  H      -5.675388     -2.498860     -0.070040
  H      -5.647863     -4.825392      0.837879
  H      -4.305052     -5.357282      2.867293
  H      -3.025559     -3.583618      4.017031
  H      -2.981327     -0.438845      8.405512
  H      -3.571857     -0.023418      6.792005
  H      -4.329761      1.598837      9.299018
  H      -6.520608      1.615842      8.559079
  H      -5.509668     -1.515101      4.282383
  H      -9.982804     -0.622809      4.099023
  H     -11.593964      0.652835      5.526002
  H     -10.790840      1.781290      7.594468
  H      -8.433374      1.673709      8.243032
  N      -2.774497      3.406217      4.472350
  H      -2.219014      3.475073      3.621073
  H      -3.767595      3.501099      4.248688
92
Coordinates from ORCA-job orca E -6200.653422752530
  N      -2.726164      4.361578      7.327000
  Mo     -2.018770      2.783628      6.239619
  N      -2.263145      1.399460      7.654918
  C      -1.211212      1.293545      8.649433
  C      -0.604853      2.668565      8.897761
  N      -0.331127      3.313266      7.584255
  C      -0.366078      4.795737      7.656941
  C      -1.795089      5.277866      7.927287
  C       0.938583      2.818992      6.974219
  C       0.736066      2.675247      5.463008
  N      -0.495361      1.933768      5.247585
  H      -1.902828      6.306687      7.522299
  H      -1.961931      5.377848      9.025186
  H      -0.021394      5.164900      6.680239
  H       0.339344      5.152642      8.428338
  H       1.610686      2.166243      5.019627
  H       0.694819      3.679304      4.997928
  H       1.141236      1.826986      7.398049
  H       1.769397      3.494454      7.239388
  H      -1.593365      0.900399      9.609815
  H      -0.423687      0.579279      8.317397
  H      -1.333982      3.295704      9.424925
  H       0.319137      2.615616      9.499631
  C      -4.116064      4.740605      7.452840
  C      -4.933607      3.948578      6.482431
  C      -6.174207      4.236407      6.053479
  C      -6.856885      3.485672      5.002924
  N      -6.116123      2.678756      4.234794
  C      -6.730813      2.045189      3.211547
  N      -7.992272      2.151865      2.834878
  C      -8.775515      2.963359      3.604500
  C     -10.141517      3.123701      3.259515
  C     -10.962333      3.926151      4.020105
  C     -10.456971      4.594386      5.159767
  C      -9.131587      4.459500      5.515706
  C      -8.258026      3.655017      4.743412
  C      -0.422548      0.718412      4.452777
  C      -1.262977     -0.357077      5.071842
  C      -2.268628     -1.083153      4.538769
  C      -2.943749     -0.918403      3.250501
  N      -2.991884      0.292709      2.688195
  C      -3.724637      0.430269      1.562094
  N      -4.427994     -0.489861      0.926027
  C      -4.378204     -1.746836      1.462013
  C      -5.105513     -2.790108      0.837208
  C      -5.064653     -4.068963      1.349055
  C      -4.292337     -4.359184      2.497235
  C      -3.581449     -3.360054      3.129980
  C      -3.618950     -2.031790      2.638519
  C      -3.317225      0.402128      7.740687
  C      -4.533804      0.995434      8.385729
  C      -5.820513      0.995517      7.969562
  C      -6.405974      0.328047      6.811588
  N      -5.622950     -0.402011      6.009319
  C      -6.185078     -0.979973      4.927471
  N      -7.447654     -0.937298      4.547231
  C      -8.283269     -0.209935      5.348705
  C      -9.650213     -0.118726      4.991256
  C     -10.526491      0.603219      5.770922
  C     -10.070481      1.255037      6.937453
  C      -8.743012      1.185563      7.306915
  C      -7.812220      0.458274      6.524224
  H      -4.266551      5.827395      7.280074
  H      -4.489505      4.551373      8.488640
  H      -4.431017      3.014678      6.173943
  H      -6.674572      5.129426      6.436545
  H      -6.094427      1.382876      2.615879
  H     -10.510480      2.586518      2.384943
  H     -12.012720      4.043954      3.748464
  H     -11.121373      5.217343      5.760166
  H      -8.758139      4.968657      6.404223
  H       0.624087      0.348325      4.460740
  H      -0.703164      0.885479      3.399699
  H      -0.965383     -0.607015      6.094925
  H      -2.667640     -1.886785      5.160931
  H      -3.759083      1.443503      1.147077
  H      -5.690408     -2.543737     -0.049718
  H      -5.630566     -4.867167      0.866183
  H      -4.260488     -5.379186      2.882646
  H      -2.982911     -3.589282      4.011357
  H      -2.968590     -0.452214      8.356325
  H      -3.563472     -0.005334      6.753330
  H      -4.314208      1.577835      9.288035
  H      -6.510602      1.593638      8.564209
  H      -5.500220     -1.549840      4.291514
  H      -9.968829     -0.624555      4.079469
  H     -11.576292      0.681257      5.484965
  H     -10.772724      1.825840      7.546187
  H      -8.419403      1.701679      8.209691
  N      -2.835973      3.315240      4.483364
  H      -2.299505      3.315944      3.617046
  H      -3.833415      3.395584      4.273380
92
Coordinates from ORCA-job orca E -6200.657751992871
  N      -2.722760      4.364420      7.313186
  Mo     -2.016406      2.780456      6.244103
  N      -2.258233      1.401029      7.650561
  C      -1.215069      1.294224      8.655374
  C      -0.609099      2.668631      8.909796
  N      -0.322128      3.316195      7.602978
  C      -0.362698      4.796077      7.670157
  C      -1.794447      5.278041      7.924793
  C       0.945790      2.821263      6.996435
  C       0.753953      2.682635      5.482609
  N      -0.477378      1.946993      5.248899
  H      -1.896945      6.307874      7.521454
  H      -1.974551      5.373641      9.020999
  H      -0.012254      5.161539      6.693759
  H       0.334851      5.161411      8.445724
  H       1.629551      2.169824      5.045062
  H       0.722908      3.689445      5.021634
  H       1.145618      1.827235      7.417585
  H       1.778207      3.494150      7.266249
  H      -1.609520      0.900351      9.610463
  H      -0.426488      0.578955      8.328056
  H      -1.342972      3.295689      9.431204
  H       0.308356      2.611515      9.522186
  C      -4.112683      4.752583      7.444792
  C      -4.948652      3.962790      6.490412
  C      -6.188533      4.257369      6.061964
  C      -6.865922      3.504501      5.009334
  N      -6.118362      2.700907      4.243532
  C      -6.723252      2.067554      3.214300
  N      -7.983127      2.169536      2.832007
  C      -8.774661      2.975430      3.599123
  C     -10.140116      3.129263      3.247830
  C     -10.968881      3.926244      4.006717
  C     -10.471831      4.595454      5.150296
  C      -9.146762      4.467544      5.511716
  C      -8.265921      3.668920      4.741917
  C      -0.407821      0.743912      4.432687
  C      -1.243191     -0.340535      5.043214
  C      -2.250786     -1.068329      4.512660
  C      -2.932379     -0.913928      3.227504
  N      -2.982097      0.291942      2.652546
  C      -3.723829      0.421674      1.531509
  N      -4.432704     -0.502528      0.908331
  C      -4.378915     -1.756153      1.452607
  C      -5.110295     -2.802428      0.837553
  C      -5.068032     -4.078715      1.356978
  C      -4.289920     -4.362024      2.503030
  C      -3.574254     -3.359363      3.126302
  C      -3.612291     -2.033557      2.627432
  C      -3.311912      0.402069      7.721060
  C      -4.524430      0.983385      8.383310
  C      -5.815825      0.982110      7.980395
  C      -6.405825      0.323479      6.819392
  N      -5.626209     -0.409047      6.015828
  C      -6.189916     -0.980993      4.930808
  N      -7.453147     -0.933990      4.553297
  C      -8.286105     -0.205889      5.356974
  C      -9.654281     -0.111869      5.003171
  C     -10.526904      0.613636      5.784554
  C     -10.065845      1.267258      6.949017
  C      -8.737283      1.193789      7.315632
  C      -7.811320      0.461062      6.532290
  H      -4.255621      5.840434      7.268437
  H      -4.471721      4.569660      8.486415
  H      -4.454765      3.027317      6.183410
  H      -6.685203      5.153624      6.443180
  H      -6.080317      1.409805      2.619710
  H     -10.502351      2.591807      2.370263
  H     -12.018977      4.039203      3.730778
  H     -11.142638      5.213988      5.748738
  H      -8.779413      4.977062      6.403148
  H       0.640092      0.377148      4.430301
  H      -0.694071      0.924350      3.383445
  H      -0.941452     -0.597402      6.063861
  H      -2.646207     -1.870614      5.139529
  H      -3.759964      1.432106      1.108764
  H      -5.699722     -2.560760     -0.048037
  H      -5.636908     -4.879927      0.881913
  H      -4.257115     -5.380004      2.894488
  H      -2.971443     -3.586332      4.005631
  H      -2.959648     -0.464440      8.317975
  H      -3.561032      0.013084      6.727363
  H      -4.300144      1.556438      9.290891
  H      -6.504102      1.567601      8.590378
  H      -5.504000     -1.548353      4.292364
  H      -9.976760     -0.617388      4.092221
  H     -11.577429      0.694602      5.501015
  H     -10.764751      1.842354      7.558091
  H      -8.408683      1.711297      8.216311
  N      -2.889402      3.215879      4.496340
  H      -2.365711      3.145956      3.624648
  H      -3.890220      3.280410      4.293396
92
Coordinates from ORCA-job orca E -6200.661754464987
  N      -2.722846      4.367906      7.300370
  Mo     -2.016567      2.776346      6.248258
  N      -2.252327      1.398575      7.650679
  C      -1.217444      1.293737      8.663853
  C      -0.613903      2.669195      8.920495
  N      -0.317087      3.318857      7.618301
  C      -0.362533      4.796743      7.681361
  C      -1.795965      5.277699      7.923459
  C       0.950220      2.824708      7.013542
  C       0.768174      2.693810      5.497032
  N      -0.461913      1.962760      5.245421
  H      -1.892675      6.309240      7.523652
  H      -1.987861      5.367871      9.018030
  H      -0.007201      5.160845      6.706112
  H       0.327208      5.170478      8.460679
  H       1.646103      2.180319      5.064416
  H       0.745357      3.704070      5.042151
  H       1.149155      1.828517      7.430359
  H       1.783897      3.495031      7.287576
  H      -1.620191      0.900900      9.616021
  H      -0.427391      0.578030      8.341767
  H      -1.351942      3.295112      9.437586
  H       0.297730      2.609625      9.542000
  C      -4.110451      4.765557      7.442095
  C      -4.963669      3.977408      6.505946
  C      -6.203954      4.278965      6.080661
  C      -6.881583      3.524962      5.030153
  N      -6.132241      2.719767      4.266958
  C      -6.732149      2.085985      3.234941
  N      -7.990820      2.187734      2.848574
  C      -8.786496      2.993125      3.612618
  C     -10.150705      3.144792      3.257676
  C     -10.982304      3.941679      4.015270
  C     -10.488358      4.611840      5.159365
  C      -9.163489      4.486015      5.524078
  C      -8.280463      3.687922      4.756783
  C      -0.394825      0.775265      4.407105
  C      -1.219730     -0.321269      5.009878
  C      -2.227921     -1.053664      4.484355
  C      -2.920730     -0.911872      3.206518
  N      -2.979278      0.288604      2.618698
  C      -3.737637      0.407903      1.508148
  N      -4.454305     -0.522336      0.902920
  C      -4.389269     -1.771765      1.455116
  C      -5.125963     -2.822746      0.855782
  C      -5.075054     -4.096143      1.383370
  C      -4.282654     -4.369039      2.521501
  C      -3.560791     -3.360665      3.129711
  C      -3.606146     -2.038167      2.623126
  C      -3.305718      0.397546      7.705444
  C      -4.517061      0.967459      8.379179
  C      -5.810158      0.962738      7.980303
  C      -6.396916      0.309031      6.815370
  N      -5.618679     -0.434169      6.020084
  C      -6.179497     -1.003833      4.931558
  N      -7.440204     -0.949142      4.546898
  C      -8.272372     -0.211060      5.341612
  C      -9.637572     -0.107812      4.979478
  C     -10.507935      0.631961      5.750728
  C     -10.047235      1.291370      6.912280
  C      -8.721439      1.207879      7.287307
  C      -7.798552      0.459176      6.515756
  H      -4.247086      5.853590      7.262457
  H      -4.454257      4.589849      8.490281
  H      -4.483979      3.037865      6.197522
  H      -6.697308      5.178402      6.458515
  H      -6.084917      1.430733      2.641415
  H     -10.510240      2.606722      2.379443
  H     -12.032016      4.053748      3.737609
  H     -11.161559      5.229851      5.755733
  H      -8.797842      4.996002      6.415980
  H       0.654608      0.413470      4.388156
  H      -0.691746      0.970939      3.363464
  H      -0.909800     -0.584897      6.026561
  H      -2.613443     -1.857348      5.116012
  H      -3.782349      1.415098      1.078814
  H      -5.726403     -2.587570     -0.024053
  H      -5.647734     -4.902002      0.920950
  H      -4.242969     -5.384150      2.919772
  H      -2.947413     -3.584446      4.002654
  H      -2.952893     -0.481575      8.283521
  H      -3.556440      0.027996      6.705101
  H      -4.292485      1.533397      9.290967
  H      -6.500772      1.538650      8.596532
  H      -5.492657     -1.577447      4.300132
  H      -9.959804     -0.616641      4.070265
  H     -11.556019      0.720674      5.460627
  H     -10.743966      1.878815      7.511968
  H      -8.391309      1.730364      8.184506
  N      -2.938928      3.117861      4.514232
  H      -2.425903      2.978543      3.643907
  H      -3.943657      3.165698      4.316751
92
Coordinates from ORCA-job orca E -6200.665449288254
  N      -2.715101      4.375633      7.272904
  Mo     -2.011632      2.768113      6.250601
  N      -2.249096      1.399529      7.657607
  C      -1.225876      1.299484      8.683001
  C      -0.622341      2.675981      8.936972
  N      -0.309585      3.319906      7.636439
  C      -0.354956      4.797113      7.688173
  C      -1.790040      5.281478      7.908850
  C       0.958884      2.818464      7.041201
  C       0.791338      2.689900      5.522035
  N      -0.440081      1.968945      5.251072
  H      -1.876720      6.313096      7.507783
  H      -1.999981      5.371392      8.999787
  H       0.011190      5.154344      6.714445
  H       0.324712      5.180328      8.472036
  H       1.670567      2.170211      5.099294
  H       0.782875      3.701468      5.069223
  H       1.150860      1.821546      7.459576
  H       1.795466      3.483589      7.319658
  H      -1.640574      0.914450      9.633146
  H      -0.435019      0.579686      8.373625
  H      -1.364331      3.305479      9.444032
  H       0.281034      2.615365      9.570622
  C      -4.101562      4.785784      7.415773
  C      -4.967867      3.994391      6.497059
  C      -6.204284      4.301466      6.064322
  C      -6.876841      3.538314      5.017145
  N      -6.121477      2.732008      4.260277
  C      -6.713001      2.091684      3.227454
  N      -7.971496      2.183376      2.836922
  C      -8.774826      2.985594      3.596442
  C     -10.139647      3.123264      3.240458
  C     -10.978861      3.915782      3.995104
  C     -10.491651      4.595373      5.135915
  C      -9.165405      4.484030      5.501281
  C      -8.275308      3.690335      4.737756
  C      -0.380359      0.795702      4.393941
  C      -1.204994     -0.306836      4.985724
  C      -2.217403     -1.032511      4.458499
  C      -2.913146     -0.890060      3.183796
  N      -2.960984      0.306722      2.585800
  C      -3.725851      0.426599      1.479910
  N      -4.457373     -0.500123      0.885724
  C      -4.399498     -1.746703      1.444558
  C      -5.148736     -2.793804      0.854661
  C      -5.105871     -4.065472      1.387934
  C      -4.308599     -4.338981      2.521976
  C      -3.574239     -3.333873      3.121145
  C      -3.611212     -2.013205      2.609658
  C      -3.304317      0.398600      7.700407
  C      -4.514004      0.956194      8.387821
  C      -5.810148      0.944491      7.998627
  C      -6.398986      0.299268      6.830259
  N      -5.623466     -0.441079      6.029980
  C      -6.187916     -1.004561      4.939495
  N      -7.450986     -0.951251      4.561200
  C      -8.280853     -0.217928      5.362411
  C      -9.648658     -0.118586      5.009802
  C     -10.515974      0.618125      5.787652
  C     -10.049387      1.279522      6.945452
  C      -8.720932      1.199224      7.311667
  C      -7.801594      0.451226      6.534927
  H      -4.230264      5.872612      7.225714
  H      -4.434851      4.624768      8.469573
  H      -4.503050      3.047364      6.194445
  H      -6.696725      5.206160      6.430084
  H      -6.058528      1.439609      2.638695
  H     -10.494166      2.578253      2.364643
  H     -12.029494      4.016983      3.717229
  H     -11.170977      5.209441      5.729224
  H      -8.804016      5.000406      6.391053
  H       0.667985      0.431792      4.360103
  H      -0.685015      1.008968      3.355703
  H      -0.894014     -0.580504      5.999501
  H      -2.603308     -1.836203      5.089858
  H      -3.762494      1.431027      1.044026
  H      -5.751914     -2.557055     -0.022669
  H      -5.687867     -4.868670      0.932909
  H      -4.274284     -5.352262      2.925142
  H      -2.957293     -3.562870      3.990094
  H      -2.950290     -0.491345      8.260946
  H      -3.557980      0.046648      6.694599
  H      -4.287537      1.513589      9.304185
  H      -6.502065      1.504197      8.627768
  H      -5.501599     -1.571405      4.301812
  H      -9.975925     -0.627395      4.102532
  H     -11.566163      0.703733      5.504864
  H     -10.743551      1.865807      7.548956
  H      -8.384869      1.723296      8.205505
  N      -2.966710      3.017704      4.523863
  H      -2.459388      2.806706      3.663929
  H      -3.973145      3.054606      4.324955
92
Coordinates from ORCA-job orca E -6200.668944919275
  N      -2.709924      4.380985      7.238679
  Mo     -2.003114      2.752419      6.254930
  N      -2.239210      1.398235      7.674419
  C      -1.228012      1.311377      8.712078
  C      -0.628429      2.692111      8.954884
  N      -0.304277      3.323203      7.650691
  C      -0.350864      4.800661      7.684788
  C      -1.787610      5.287017      7.883112
  C       0.967679      2.815187      7.067067
  C       0.814155      2.684297      5.546357
  N      -0.417570      1.969871      5.260608
  H      -1.866120      6.316928      7.476809
  H      -2.014689      5.381469      8.969912
  H       0.025508      5.147660      6.711374
  H       0.318875      5.196976      8.470792
  H       1.695888      2.159853      5.134630
  H       0.816867      3.695364      5.092233
  H       1.154609      1.819689      7.490906
  H       1.805330      3.477954      7.347796
  H      -1.651868      0.938450      9.663055
  H      -0.434056      0.588479      8.419939
  H      -1.375442      3.325680      9.449157
  H       0.267674      2.637925      9.599464
  C      -4.094978      4.801515      7.380723
  C      -4.971882      3.999710      6.483139
  C      -6.205959      4.308877      6.044634
  C      -6.883952      3.531712      5.011031
  N      -6.134405      2.710377      4.263632
  C      -6.729749      2.060224      3.239233
  N      -7.988604      2.152245      2.848776
  C      -8.787503      2.966798      3.600285
  C     -10.152521      3.103573      3.247278
  C     -10.987026      3.907921      3.995014
  C     -10.494452      4.600533      5.124740
  C      -9.167159      4.490609      5.486954
  C      -8.281966      3.684335      4.730830
  C      -0.363171      0.810142      4.387068
  C      -1.184924     -0.299403      4.969532
  C      -2.203316     -1.015717      4.441432
  C      -2.908163     -0.861742      3.174152
  N      -2.949764      0.337157      2.578007
  C      -3.730287      0.468191      1.484757
  N      -4.481970     -0.448908      0.899307
  C      -4.427007     -1.697746      1.452403
  C      -5.194470     -2.735483      0.870000
  C      -5.155844     -4.009585      1.397954
  C      -4.344559     -4.294044      2.518780
  C      -3.592276     -3.297949      3.110776
  C      -3.624195     -1.975133      2.605120
  C      -3.293956      0.395215      7.708217
  C      -4.506801      0.941692      8.399466
  C      -5.802654      0.919136      8.009866
  C      -6.385480      0.273204      6.839336
  N      -5.609309     -0.477546      6.049364
  C      -6.170253     -1.043139      4.957936
  N      -7.431012     -0.987004      4.571983
  C      -8.261517     -0.242974      5.362539
  C      -9.626260     -0.138840      5.001161
  C     -10.492943      0.612329      5.765705
  C     -10.028484      1.284546      6.917482
  C      -8.703031      1.199097      7.292551
  C      -7.784537      0.434452      6.531014
  H      -4.218677      5.885336      7.174448
  H      -4.419032      4.661113      8.440354
  H      -4.521981      3.043092      6.191161
  H      -6.695575      5.221887      6.392294
  H      -6.076716      1.401289      2.656460
  H     -10.511668      2.548635      2.379862
  H     -12.038266      4.008296      3.719780
  H     -11.170217      5.223717      5.712303
  H      -8.800575      5.016799      6.368463
  H       0.684048      0.445493      4.335391
  H      -0.677974      1.039870      3.355148
  H      -0.869379     -0.584168      5.978760
  H      -2.587188     -1.823173      5.068950
  H      -3.764904      1.474258      1.053575
  H      -5.807851     -2.489319      0.002645
  H      -5.751752     -4.805516      0.948688
  H      -4.312958     -5.308642      2.918417
  H      -2.965048     -3.538616      3.968987
  H      -2.939624     -0.502052      8.256845
  H      -3.546462      0.055728      6.697871
  H      -4.284062      1.497716      9.317165
  H      -6.500164      1.469789      8.640266
  H      -5.483786     -1.616735      4.327415
  H      -9.951904     -0.654942      4.097626
  H     -11.540735      0.701644      5.475878
  H     -10.721846      1.883515      7.509015
  H      -8.367535      1.732750      8.180562
  N      -2.990370      2.901873      4.538978
  H      -2.492784      2.619914      3.692914
  H      -3.999691      2.923844      4.344173
92
Coordinates from ORCA-job orca E -6200.672110975188
  N      -2.702927      4.386131      7.200831
  Mo     -1.996366      2.734859      6.259414
  N      -2.233184      1.397192      7.691185
  C      -1.234009      1.322721      8.741851
  C      -0.636150      2.706664      8.973268
  N      -0.299889      3.323074      7.664901
  C      -0.345096      4.800967      7.680919
  C      -1.783200      5.291063      7.855162
  C       0.974853      2.806378      7.094391
  C       0.835129      2.673536      5.572649
  N      -0.399262      1.969468      5.273054
  H      -1.852654      6.319266      7.443472
  H      -2.028774      5.390131      8.937256
  H       0.043187      5.136416      6.708175
  H       0.315293      5.208288      8.469227
  H       1.717010      2.141229      5.171492
  H       0.851491      3.683558      5.116527
  H       1.153547      1.812003      7.524411
  H       1.814607      3.465145      7.378538
  H      -1.668404      0.962819      9.693061
  H      -0.437271      0.596036      8.468433
  H      -1.387594      3.345975      9.453463
  H       0.252822      2.659432      9.628278
  C      -4.088148      4.817149      7.337992
  C      -4.975182      4.004624      6.459868
  C      -6.204738      4.316471      6.011674
  C      -6.884553      3.526500      4.988142
  N      -6.137423      2.695238      4.249124
  C      -6.733353      2.039446      3.228621
  N      -7.992446      2.129854      2.836785
  C      -8.789825      2.950036      3.583829
  C     -10.155924      3.082730      3.233432
  C     -10.989690      3.891489      3.977104
  C     -10.495474      4.593841      5.099985
  C      -9.166853      4.489071      5.459067
  C      -8.282456      3.677404      4.707037
  C      -0.349581      0.822148      4.382956
  C      -1.168938     -0.294370      4.955667
  C      -2.190799     -1.001221      4.422148
  C      -2.897952     -0.833830      3.157163
  N      -2.928285      0.366150      2.561515
  C      -3.716824      0.507787      1.475176
  N      -4.485148     -0.400092      0.894969
  C      -4.437118     -1.650618      1.444571
  C      -5.219195     -2.680694      0.867227
  C      -5.187504     -3.956080      1.392255
  C      -4.368516     -4.250278      2.505270
  C      -3.602417     -3.261902      3.092374
  C      -3.627535     -1.937875      2.589649
  C      -3.286817      0.391252      7.717611
  C      -4.500286      0.925636      8.417837
  C      -5.797814      0.894782      8.034818
  C      -6.382548      0.256781      6.860950
  N      -5.608740     -0.493140      6.068092
  C      -6.172578     -1.052829      4.974988
  N      -7.434729     -0.995714      4.592255
  C      -8.262670     -0.252501      5.386773
  C      -9.628680     -0.148401      5.030329
  C     -10.492433      0.603827      5.797115
  C     -10.023348      1.278467      6.945439
  C      -8.696698      1.192436      7.316301
  C      -7.781467      0.424147      6.553936
  H      -4.206772      5.897813      7.113543
  H      -4.404698      4.698905      8.402186
  H      -4.539349      3.038333      6.181307
  H      -6.690963      5.238568      6.339702
  H      -6.080107      1.377009      2.650191
  H     -10.516916      2.520611      2.371345
  H     -12.041857      3.987792      3.703684
  H     -11.170635      5.220534      5.684574
  H      -8.798172      5.022256      6.335452
  H       0.696951      0.458430      4.315843
  H      -0.672545      1.066727      3.356986
  H      -0.851835     -0.589285      5.961544
  H      -2.575835     -1.812990      5.043064
  H      -3.746253      1.515038      1.046862
  H      -5.837943     -2.426906      0.005832
  H      -5.794763     -4.745453      0.946569
  H      -4.341870     -5.265663      2.903325
  H      -2.969920     -3.510119      3.944657
  H      -2.929514     -0.512929      8.253058
  H      -3.540389      0.064153      6.702823
  H      -4.277111      1.476397      9.338633
  H      -6.497008      1.432088      8.674959
  H      -5.488221     -1.622929      4.339140
  H      -9.957791     -0.664975      4.128280
  H     -11.541267      0.692920      5.510817
  H     -10.714081      1.879930      7.537616
  H      -8.357465      1.728983      8.201174
  N      -3.013230      2.790882      4.555333
  H      -2.529827      2.444112      3.724146
  H      -4.024703      2.803265      4.367610
92
Coordinates from ORCA-job orca E -6200.674944334508
  N      -2.701213      4.392896      7.179279
  Mo     -1.995621      2.725832      6.266231
  N      -2.227870      1.391067      7.698650
  C      -1.237963      1.321057      8.758401
  C      -0.642360      2.706700      8.987693
  N      -0.300265      3.319021      7.678888
  C      -0.344290      4.797064      7.690762
  C      -1.782790      5.289634      7.850133
  C       0.975627      2.800885      7.113127
  C       0.845406      2.680708      5.589823
  N      -0.392294      1.988408      5.275366
  H      -1.843991      6.320282      7.443653
  H      -2.043019      5.382790      8.929142
  H       0.053063      5.130122      6.720898
  H       0.309339      5.207084      8.483325
  H       1.726206      2.144633      5.191683
  H       0.872911      3.693434      5.140304
  H       1.147716      1.803358      7.538656
  H       1.817335      3.453692      7.405692
  H      -1.679511      0.965523      9.707946
  H      -0.438306      0.593991      8.495380
  H      -1.397226      3.347046      9.461395
  H       0.242310      2.662996      9.648810
  C      -4.085685      4.832600      7.316822
  C      -4.984466      4.015769      6.454689
  C      -6.210887      4.332731      6.001923
  C      -6.896725      3.532720      4.989590
  N      -6.156744      2.682896      4.264144
  C      -6.755579      2.022419      3.248422
  N      -8.012706      2.120587      2.851573
  C      -8.804624      2.954570      3.589524
  C     -10.169942      3.092238      3.237437
  C     -10.999088      3.913371      3.972569
  C     -10.500912      4.624558      5.088301
  C      -9.172807      4.515939      5.448270
  C      -8.293145      3.690711      4.705062
  C      -0.344652      0.859536      4.359889
  C      -1.144526     -0.275875      4.924652
  C      -2.163489     -0.988919      4.393099
  C      -2.883476     -0.824089      3.134670
  N      -2.921638      0.372868      2.533113
  C      -3.729736      0.511676      1.460914
  N      -4.509750     -0.397835      0.898296
  C      -4.450424     -1.646848      1.449875
  C      -5.241898     -2.679927      0.890289
  C      -5.199168     -3.953513      1.418476
  C      -4.359528     -4.243870      2.517319
  C      -3.584393     -3.252623      3.087453
  C      -3.620513     -1.930015      2.581081
  C      -3.278206      0.380359      7.711783
  C      -4.491937      0.898485      8.423450
  C      -5.790252      0.862571      8.044022
  C      -6.373747      0.235171      6.864209
  N      -5.601529     -0.519961      6.074371
  C      -6.164978     -1.074824      4.978702
  N      -7.425945     -1.011365      4.592308
  C      -8.251659     -0.261042      5.383086
  C      -9.615790     -0.148899      5.021828
  C     -10.476630      0.613322      5.782161
  C     -10.005842      1.291004      6.927995
  C      -8.681132      1.196291      7.304130
  C      -7.769457      0.415829      6.549718
  H      -4.200070      5.911518      7.081600
  H      -4.393941      4.729078      8.384674
  H      -4.564425      3.042338      6.182476
  H      -6.691328      5.263640      6.313760
  H      -6.105854      1.349152      2.678014
  H     -10.534406      2.523373      2.381164
  H     -12.050690      4.012668      3.697773
  H     -11.172322      5.261211      5.666506
  H      -8.800601      5.055880      6.319108
  H       0.703951      0.507680      4.270175
  H      -0.683340      1.120835      3.343305
  H      -0.815507     -0.576669      5.924915
  H      -2.535047     -1.807921      5.012327
  H      -3.769281      1.517867      1.031272
  H      -5.876653     -2.429305      0.039588
  H      -5.813854     -4.744614      0.986105
  H      -4.324131     -5.257881      2.918259
  H      -2.936266     -3.496610      3.929103
  H      -2.916953     -0.533849      8.227360
  H      -3.533370      0.073076      6.690854
  H      -4.268768      1.440183      9.349648
  H      -6.491902      1.386731      8.692677
  H      -5.483082     -1.649833      4.344449
  H      -9.945573     -0.666796      4.120721
  H     -11.523859      0.708656      5.491810
  H     -10.693576      1.901980      7.514030
  H      -8.340568      1.736785      8.186204
  N      -3.043632      2.710550      4.580019
  H      -2.582348      2.315199      3.756668
  H      -4.057807      2.721804      4.405241
92
Coordinates from ORCA-job orca E -6200.677472925299
  N      -2.700585      4.397244      7.151537
  Mo     -1.993162      2.713705      6.270222
  N      -2.223225      1.381387      7.701636
  C      -1.244248      1.315522      8.771650
  C      -0.652491      2.703226      9.000679
  N      -0.303877      3.312106      7.692376
  C      -0.347603      4.790214      7.701018
  C      -1.786627      5.284822      7.842665
  C       0.974526      2.794072      7.134524
  C       0.857705      2.686849      5.609807
  N      -0.382788      2.006129      5.278272
  H      -1.838938      6.318523      7.443016
  H      -2.063669      5.370318      8.917976
  H       0.060792      5.121561      6.735201
  H       0.297368      5.201802      8.499898
  H       1.737758      2.146477      5.216510
  H       0.897269      3.701967      5.166691
  H       1.139111      1.792882      7.554487
  H       1.816675      3.441114      7.439119
  H      -1.694715      0.963259      9.718152
  H      -0.441120      0.588526      8.519666
  H      -1.412206      3.343564      9.466928
  H       0.227471      2.664287      9.668383
  C      -4.084297      4.844358      7.284831
  C      -4.992506      4.023757      6.436652
  C      -6.214546      4.346577      5.975544
  C      -6.904574      3.536748      4.973158
  N      -6.169225      2.673741      4.258510
  C      -6.768532      2.010434      3.245256
  N      -8.023511      2.113599      2.843885
  C      -8.812900      2.955190      3.575838
  C     -10.178140      3.093316      3.222908
  C     -11.005900      3.920252      3.952898
  C     -10.506136      4.638222      5.063922
  C      -9.177902      4.530487      5.423537
  C      -8.299925      3.698428      4.686003
  C      -0.332916      0.895444      4.338125
  C      -1.109400     -0.259843      4.896506
  C      -2.126762     -0.979387      4.370196
  C      -2.861724     -0.814132      3.121012
  N      -2.899919      0.380670      2.515190
  C      -3.723895      0.523890      1.456135
  N      -4.519509     -0.381302      0.909096
  C      -4.458647     -1.630157      1.461044
  C      -5.265082     -2.659424      0.915559
  C      -5.220106     -3.932897      1.443322
  C      -4.363162     -4.228143      2.527515
  C      -3.573692     -3.240746      3.084420
  C      -3.612163     -1.917548      2.578780
  C      -3.269326      0.365533      7.701401
  C      -4.480124      0.867943      8.428620
  C      -5.781002      0.830082      8.058257
  C      -6.369204      0.217919      6.873285
  N      -5.601772     -0.535767      6.076745
  C      -6.170854     -1.081211      4.979395
  N      -7.433548     -1.013121      4.599265
  C      -8.253632     -0.262646      5.396223
  C      -9.619104     -0.145486      5.041400
  C     -10.473817      0.619421      5.806125
  C      -9.994661      1.295797      6.949377
  C      -8.668659      1.195058      7.319912
  C      -7.764069      0.409616      6.562310
  H      -4.193759      5.921274      7.037642
  H      -4.388361      4.755710      8.354994
  H      -4.587096      3.043275      6.173046
  H      -6.688668      5.286256      6.270600
  H      -6.121104      1.329733      2.681156
  H     -10.543866      2.519329      2.370533
  H     -12.057474      4.018949      3.677643
  H     -11.176224      5.279614      5.638464
  H      -8.804308      5.075609      6.290707
  H       0.718570      0.559675      4.227064
  H      -0.688049      1.171082      3.331525
  H      -0.766680     -0.564212      5.891043
  H      -2.484508     -1.805023      4.988437
  H      -3.762247      1.529029      1.023934
  H      -5.912698     -2.405837      0.075428
  H      -5.846325     -4.720626      1.021326
  H      -4.325828     -5.242453      2.927568
  H      -2.911830     -3.486850      3.914490
  H      -2.902886     -0.558755      8.194936
  H      -3.528475      0.079788      6.675395
  H      -4.252981      1.397272      9.361029
  H      -6.481626      1.338369      8.720951
  H      -5.493929     -1.654565      4.338000
  H      -9.954564     -0.661053      4.141015
  H     -11.522005      0.718778      5.520508
  H     -10.676802      1.910649      7.538011
  H      -8.321845      1.735784      8.199602
  N      -3.063137      2.635653      4.598066
  H      -2.626098      2.201246      3.779355
  H      -4.079394      2.651636      4.435218
92
Coordinates from ORCA-job orca E -6200.679700574178
  N      -2.702115      4.400165      7.131574
  Mo     -1.993329      2.703732      6.275594
  N      -2.220361      1.369209      7.701743
  C      -1.250748      1.304114      8.780299
  C      -0.662282      2.692299      9.012147
  N      -0.309423      3.302595      7.705930
  C      -0.353842      4.780605      7.717515
  C      -1.793178      5.275279      7.846361
  C       0.970775      2.787854      7.151835
  C       0.865370      2.700336      5.625721
  N      -0.377369      2.031620      5.275572
  H      -1.837617      6.314224      7.459468
  H      -2.084839      5.347418      8.918814
  H       0.063824      5.114658      6.756628
  H       0.283319      5.190490      8.523686
  H       1.744199      2.157668      5.233364
  H       0.915800      3.719827      5.193692
  H       1.128938      1.780854      7.560442
  H       1.813112      3.427942      7.471133
  H      -1.709396      0.952420      9.723079
  H      -0.445375      0.577130      8.535899
  H      -1.426139      3.330930      9.474349
  H       0.214399      2.656211      9.684454
  C      -4.084310      4.853567      7.262777
  C      -5.002868      4.032790      6.427302
  C      -6.220951      4.362901      5.960175
  C      -6.917451      3.544648      4.968704
  N      -6.188698      2.666252      4.266337
  C      -6.790401      1.999131      3.256983
  N      -8.043375      2.109885      2.851175
  C      -8.828238      2.962395      3.575356
  C     -10.193088      3.103937      3.221606
  C     -11.017065      3.940259      3.945432
  C     -10.513402      4.665347      5.050446
  C      -9.185211      4.555221      5.409889
  C      -8.311486      3.712802      4.679248
  C      -0.325206      0.943032      4.306809
  C      -1.072134     -0.236690      4.855891
  C      -2.085244     -0.969409      4.337372
  C      -2.840177     -0.811622      3.099939
  N      -2.888310      0.378850      2.486033
  C      -3.730492      0.517983      1.440961
  N      -4.537055     -0.389511      0.914716
  C      -4.466167     -1.635654      1.471778
  C      -5.283600     -2.666849      0.946561
  C      -5.228989     -3.938088      1.478955
  C      -4.351383     -4.229445      2.547597
  C      -3.551332     -3.239871      3.085460
  C      -3.599123     -1.918588      2.575176
  C      -3.263608      0.349423      7.689901
  C      -4.470129      0.837821      8.433185
  C      -5.773127      0.801128      8.069814
  C      -6.362824      0.202081      6.879237
  N      -5.598460     -0.555179      6.082605
  C      -6.169051     -1.094728      4.983095
  N      -7.431422     -1.019528      4.602377
  C      -8.247438     -0.262881      5.397887
  C      -9.611707     -0.136138      5.041120
  C     -10.461326      0.638439      5.802167
  C      -9.977527      1.316204      6.942903
  C      -8.652770      1.205348      7.315870
  C      -7.754414      0.408002      6.563412
  H      -4.188844      5.929119      7.006949
  H      -4.384244      4.776073      8.335024
  H      -4.612580      3.045581      6.169725
  H      -6.686402      5.311417      6.240693
  H      -6.147200      1.308240      2.700327
  H     -10.561755      2.524416      2.374142
  H     -12.068484      4.040959      3.669999
  H     -11.180415      5.314172      5.620368
  H      -8.808591      5.105909      6.272423
  H       0.729574      0.628281      4.170890
  H      -0.700712      1.235770      3.313511
  H      -0.711539     -0.544590      5.843163
  H      -2.420277     -1.804821      4.955398
  H      -3.775995      1.520980      1.004558
  H      -5.947230     -2.416744      0.117875
  H      -5.863772     -4.727251      1.072461
  H      -4.306926     -5.242230      2.950935
  H      -2.873900     -3.481661      3.904291
  H      -2.891725     -0.584340      8.161094
  H      -3.528713      0.085168      6.659894
  H      -4.238564      1.356086      9.370793
  H      -6.472857      1.297344      8.742842
  H      -5.494758     -1.671187      4.341407
  H      -9.949921     -0.651585      4.141584
  H     -11.508396      0.745295      5.514821
  H     -10.654771      1.940413      7.527536
  H      -8.302130      1.748580      8.192634
  N      -3.083874      2.575764      4.619610
  H      -2.672714      2.114924      3.800214
  H      -4.102063      2.602637      4.469543
92
Coordinates from ORCA-job orca E -6200.681651599444
  N      -2.700728      4.400267      7.102119
  Mo     -1.987640      2.689419      6.277797
  N      -2.216000      1.356067      7.700183
  C      -1.258587      1.294356      8.790098
  C      -0.674516      2.684089      9.023728
  N      -0.315089      3.293617      7.719233
  C      -0.360827      4.771426      7.730753
  C      -1.800918      5.264714      7.842187
  C       0.968741      2.781177      7.173450
  C       0.879623      2.710028      5.645854
  N      -0.363806      2.052404      5.274582
  H      -1.838002      6.308292      7.467284
  H      -2.110114      5.324070      8.910461
  H       0.068194      5.106628      6.775376
  H       0.265765      5.181341      8.545200
  H       1.758320      2.164243      5.258174
  H       0.941909      3.732822      5.223299
  H       1.119167      1.769007      7.572315
  H       1.809938      3.414577      7.509075
  H      -1.728055      0.945002      9.728315
  H      -0.450926      0.566764      8.556593
  H      -1.443760      3.321262      9.479182
  H       0.197489      2.652537      9.702315
  C      -4.081534      4.859149      7.226528
  C      -5.007976      4.036575      6.403093
  C      -6.220977      4.373368      5.927239
  C      -6.923896      3.545707      4.948038
  N      -6.201200      2.653788      4.256867
  C      -6.806366      1.981243      3.253322
  N      -8.057993      2.097092      2.845235
  C      -8.838580      2.958876      3.562641
  C     -10.203856      3.100938      3.210859
  C     -11.024294      3.944438      3.930431
  C     -10.516141      4.677301      5.028310
  C      -9.187032      4.567926      5.384615
  C      -8.317330      3.717546      4.658838
  C      -0.308510      0.984606      4.280652
  C      -1.024615     -0.218357      4.821404
  C      -2.037191     -0.960555      4.313859
  C      -2.816354     -0.800932      3.093187
  N      -2.865972      0.388885      2.477608
  C      -3.725494      0.535511      1.448263
  N      -4.550551     -0.364957      0.939838
  C      -4.480580     -1.611188      1.497160
  C      -5.318287     -2.634138      0.988389
  C      -5.264249     -3.906425      1.518368
  C      -4.366835     -4.207102      2.567471
  C      -3.547052     -3.225385      3.089881
  C      -3.593974     -1.902708      2.582989
  C      -3.256972      0.333000      7.678071
  C      -4.459861      0.810028      8.434201
  C      -5.765147      0.773911      8.078057
  C      -6.358457      0.184288      6.884528
  N      -5.599023     -0.575759      6.085381
  C      -6.174277     -1.111176      4.986274
  N      -7.438061     -1.033135      4.610881
  C      -8.248480     -0.272247      5.407949
  C      -9.613709     -0.141131      5.056392
  C     -10.456809      0.640534      5.817536
  C      -9.964988      1.322203      6.952553
  C      -8.639357      1.206187      7.321179
  C      -7.748538      0.399716      6.569808
  H      -4.180610      5.932601      6.959687
  H      -4.380989      4.794613      8.299886
  H      -4.630813      3.042226      6.155980
  H      -6.677009      5.330976      6.191847
  H      -6.168213      1.280232      2.704164
  H     -10.575923      2.515269      2.369148
  H     -12.076295      4.044861      3.657238
  H     -11.180365      5.331765      5.594992
  H      -8.806844      5.124832      6.241641
  H       0.748771      0.692506      4.119217
  H      -0.707191      1.292846      3.301871
  H      -0.643455     -0.531014      5.799565
  H      -2.349666     -1.805640      4.930386
  H      -3.765966      1.537415      1.008871
  H      -5.996439     -2.377362      0.173676
  H      -5.914420     -4.689373      1.124412
  H      -4.322737     -5.221066      2.967828
  H      -2.854139     -3.474574      3.893233
  H      -2.880469     -0.608210      8.130282
  H      -3.527139      0.087484      6.645329
  H      -4.224417      1.319367      9.375705
  H      -6.463265      1.259645      8.760500
  H      -5.503368     -1.688248      4.341487
  H      -9.957581     -0.658344      4.160037
  H     -11.504526      0.750818      5.533992
  H     -10.636531      1.953387      7.536255
  H      -8.282110      1.752963      8.193154
  N      -3.088779      2.513587      4.632639
  H      -2.697274      2.033896      3.812898
  H      -4.107511      2.554374      4.488865
92
Coordinates from ORCA-job orca E -6200.683365619997
  N      -2.703490      4.400800      7.086339
  Mo     -1.990853      2.681742      6.279354
  N      -2.219893      1.340539      7.690388
  C      -1.270582      1.274561      8.788215
  C      -0.687558      2.662703      9.030191
  N      -0.324715      3.279797      7.730223
  C      -0.370551      4.757402      7.751839
  C      -1.810826      5.248440      7.855119
  C       0.960165      2.771894      7.184529
  C       0.882292      2.727693      5.655855
  N      -0.362060      2.084368      5.262964
  H      -1.842281      6.299410      7.500779
  H      -2.133453      5.286898      8.920417
  H       0.066451      5.100019      6.802791
  H       0.248742      5.161329      8.574873
  H       1.759550      2.180683      5.266842
  H       0.955763      3.756346      5.249477
  H       1.102817      1.751735      7.565844
  H       1.801945      3.394935      7.538053
  H      -1.748477      0.922716      9.721173
  H      -0.462878      0.546182      8.558652
  H      -1.459234      3.296887      9.485937
  H       0.182227      2.629561      9.711558
  C      -4.082641      4.865280      7.209472
  C      -5.019162      4.047583      6.393797
  C      -6.227283      4.395210      5.913643
  C      -6.938536      3.566034      4.941333
  N      -6.223627      2.666014      4.253003
  C      -6.835811      1.994928      3.252210
  N      -8.087721      2.119245      2.845919
  C      -8.861216      2.986488      3.564037
  C     -10.227573      3.133859      3.218328
  C     -11.041275      3.981420      3.941036
  C     -10.524979      4.713970      5.035502
  C      -9.194322      4.600327      5.385215
  C      -8.331834      3.745081      4.656552
  C      -0.304455      1.040835      4.241436
  C      -0.975886     -0.191075      4.774496
  C      -1.977937     -0.956388      4.279008
  C      -2.780124     -0.812126      3.072138
  N      -2.845550      0.370801      2.444233
  C      -3.721246      0.503382      1.426533
  N      -4.551157     -0.406093      0.941875
  C      -4.466061     -1.645993      1.511630
  C      -5.308831     -2.677215      1.028507
  C      -5.239827     -3.944241      1.569961
  C      -4.321816     -4.230776      2.605162
  C      -3.497219     -3.240237      3.103253
  C      -3.559387     -1.922935      2.584900
  C      -3.259273      0.314103      7.658306
  C      -4.457892      0.777239      8.429677
  C      -5.765360      0.745109      8.080624
  C      -6.363021      0.171791      6.880957
  N      -5.609632     -0.587390      6.075539
  C      -6.189969     -1.111103      4.973056
  N      -7.454484     -1.023544      4.601112
  C      -8.257960     -0.261230      5.403503
  C      -9.623041     -0.118060      5.055523
  C     -10.458054      0.668435      5.820701
  C      -9.958061      1.344122      6.955957
  C      -8.632636      1.215778      7.321729
  C      -7.750778      0.402283      6.567182
  H      -4.176325      5.938682      6.939824
  H      -4.379790      4.805799      8.283841
  H      -4.655849      3.047266      6.151214
  H      -6.671539      5.360679      6.170013
  H      -6.204433      1.287717      2.703477
  H     -10.606077      2.548335      2.379296
  H     -12.094361      4.085377      3.673127
  H     -11.184143      5.371509      5.604652
  H      -8.807583      5.157043      6.239549
  H       0.755733      0.780724      4.049105
  H      -0.734327      1.362063      3.280999
  H      -0.569085     -0.503436      5.742660
  H      -2.256121     -1.813277      4.895661
  H      -3.772699      1.500681      0.977914
  H      -6.002862     -2.431309      0.223816
  H      -5.893915     -4.733757      1.195949
  H      -4.266143     -5.240666      3.014437
  H      -2.789302     -3.478577      3.896992
  H      -2.876392     -0.634235      8.089517
  H      -3.536611      0.087535      6.623064
  H      -4.218107      1.274855      9.376430
  H      -6.460722      1.219982      8.773505
  H      -5.522666     -1.686374      4.322987
  H      -9.973001     -0.629417      4.158073
  H     -11.505527      0.788032      5.539733
  H     -10.622838      1.980587      7.541806
  H      -8.268152      1.758648      8.193220
  N      -3.105072      2.476515      4.647429
  H      -2.731453      1.989571      3.822856
  H      -4.123716      2.535458      4.510652
92
Coordinates from ORCA-job orca E -6200.684924554082
  N      -2.699067      4.399870      7.055999
  Mo     -1.983635      2.666743      6.280706
  N      -2.216941      1.326941      7.689876
  C      -1.278657      1.265351      8.798331
  C      -0.698109      2.654208      9.039881
  N      -0.329705      3.269999      7.740813
  C      -0.375856      4.747594      7.762480
  C      -1.816806      5.236486      7.850120
  C       0.958177      2.762672      7.202687
  C       0.896783      2.736539      5.673208
  N      -0.346965      2.105749      5.257967
  H      -1.842860      6.292133      7.509660
  H      -2.155771      5.260811      8.910688
  H       0.071567      5.091251      6.818808
  H       0.233371      5.151360      8.593055
  H       1.774279      2.186767      5.288988
  H       0.982560      3.768755      5.278327
  H       1.091398      1.736961      7.572606
  H       1.799263      3.376975      7.572982
  H      -1.766802      0.917998      9.727548
  H      -0.470522      0.534647      8.580010
  H      -1.473189      3.288122      9.490200
  H       0.168060      2.624426      9.725915
  C      -4.076707      4.869610      7.171321
  C      -5.020179      4.049144      6.367365
  C      -6.222485      4.402440      5.877753
  C      -6.938964      3.560817      4.920585
  N      -6.227261      2.646194      4.248194
  C      -6.842076      1.962153      3.257843
  N      -8.092832      2.086790      2.848416
  C      -8.863994      2.966655      3.553739
  C     -10.230522      3.111149      3.208226
  C     -11.041955      3.968924      3.921421
  C     -10.522996      4.715386      5.004960
  C      -9.191691      4.605588      5.353415
  C      -8.331860      3.739604      4.634699
  C      -0.286903      1.082850      4.213841
  C      -0.921241     -0.174062      4.735222
  C      -1.925520     -0.946468      4.252978
  C      -2.757818     -0.792104      3.069108
  N      -2.818476      0.392621      2.442756
  C      -3.714814      0.540930      1.446010
  N      -4.572814     -0.352933      0.982558
  C      -4.497097     -1.594073      1.551013
  C      -5.372273     -2.607515      1.089100
  C      -5.313914     -3.876738      1.626582
  C      -4.374190     -4.182767      2.635841
  C      -3.517904     -3.209359      3.113974
  C      -3.568303     -1.889398      2.600652
  C      -3.256085      0.299263      7.655292
  C      -4.451238      0.754168      8.435854
  C      -5.759261      0.720423      8.089703
  C      -6.354661      0.148771      6.888184
  N      -5.601665     -0.617401      6.088734
  C      -6.180947     -1.145259      4.987687
  N      -7.444950     -1.058543      4.614558
  C      -8.247485     -0.287484      5.409496
  C      -9.611621     -0.142800      5.058664
  C     -10.444310      0.655114      5.814390
  C      -9.942919      1.341756      6.942299
  C      -8.618682      1.211337      7.311512
  C      -7.739849      0.384868      6.567729
  H      -4.164675      5.940439      6.890325
  H      -4.375181      4.823511      8.246145
  H      -4.670146      3.041400      6.139196
  H      -6.656671      5.377133      6.115628
  H      -6.214467      1.242445      2.721135
  H     -10.611265      2.514697      2.378035
  H     -12.095493      4.070264      3.654538
  H     -11.180678      5.380793      5.566514
  H      -8.802575      5.173423      6.199267
  H       0.773545      0.850826      3.991658
  H      -0.746584      1.416627      3.272640
  H      -0.488800     -0.494037      5.689749
  H      -2.178217     -1.814377      4.864611
  H      -3.755289      1.537734      0.995311
  H      -6.082044     -2.346582      0.303214
  H      -5.992735     -4.652742      1.268953
  H      -4.326651     -5.194633      3.041114
  H      -2.793953     -3.465714      3.887081
  H      -2.868682     -0.652749      8.073705
  H      -3.540233      0.084735      6.620065
  H      -4.210090      1.247601      9.384389
  H      -6.455682      1.188909      8.785767
  H      -5.513348     -1.726066      4.342875
  H      -9.962518     -0.661675      4.165976
  H     -11.490924      0.775838      5.530939
  H     -10.605587      1.988181      7.519453
  H      -8.252110      1.762866      8.176605
  N      -3.103909      2.423664      4.657948
  H      -2.741650      1.927732      3.833659
  H      -4.121116      2.501308      4.521234
92
Coordinates from ORCA-job orca E -6200.686346195098
  N      -2.700822      4.398189      7.034420
  Mo     -1.985474      2.657182      6.277639
  N      -2.222169      1.310097      7.675265
  C      -1.292359      1.245056      8.792193
  C      -0.713447      2.633420      9.043093
  N      -0.341265      3.256283      7.748593
  C      -0.386992      4.733773      7.778450
  C      -1.828155      5.219877      7.855970
  C       0.948526      2.751723      7.213331
  C       0.900756      2.750343      5.683772
  N      -0.342720      2.134257      5.245095
  H      -1.851070      6.281525      7.534889
  H      -2.181308      5.224423      8.912086
  H       0.068725      5.083346      6.841023
  H       0.214074      5.132819      8.617122
  H       1.778118      2.199386      5.301140
  H       0.998101      3.787413      5.304690
  H       1.072569      1.718972      7.566688
  H       1.789822      3.354919      7.601259
  H      -1.788919      0.895146      9.715821
  H      -0.483965      0.513888      8.578126
  H      -1.490701      3.264224      9.494153
  H       0.150316      2.601229      9.731976
  C      -4.077506      4.873245      7.146086
  C      -5.028930      4.056178      6.348132
  C      -6.226006      4.420251      5.853512
  C      -6.952084      3.578919      4.902857
  N      -6.248501      2.660773      4.226561
  C      -6.873281      1.979983      3.239800
  N      -8.125789      2.111499      2.837397
  C      -8.888641      2.993657      3.548519
  C     -10.257239      3.143311      3.213636
  C     -11.060438      4.002077      3.935032
  C     -10.530908      4.745104      5.015824
  C      -9.197070      4.631048      5.353351
  C      -8.345880      3.763418      4.626316
  C      -0.275225      1.131687      4.180248
  C      -0.857174     -0.152653      4.696017
  C      -1.851599     -0.946370      4.227560
  C      -2.709108     -0.800294      3.061140
  N      -2.779272      0.379433      2.425224
  C      -3.693378      0.520711      1.443883
  N      -4.562780     -0.375084      1.005379
  C      -4.479157     -1.611161      1.584245
  C      -5.367135     -2.625676      1.150099
  C      -5.300753     -3.890811      1.696591
  C      -4.339363     -4.191214      2.686964
  C      -3.470643     -3.216086      3.138767
  C      -3.529420     -1.899945      2.617006
  C      -3.257782      0.277923      7.629924
  C      -4.450881      0.717256      8.422326
  C      -5.760633      0.685732      8.081850
  C      -6.362692      0.131298      6.875136
  N      -5.618231     -0.630940      6.064164
  C      -6.207013     -1.144458      4.960869
  N      -7.473121     -1.048773      4.597035
  C      -8.266344     -0.279897      5.403136
  C      -9.631823     -0.124232      5.062305
  C     -10.454052      0.674820      5.828179
  C      -9.940587      1.352308      6.956277
  C      -8.615047      1.210242      7.316407
  C      -7.747260      0.380895      6.562810
  H      -4.159943      5.943661      6.862093
  H      -4.375635      4.832437      8.221164
  H      -4.690580      3.042683      6.129227
  H      -6.648278      5.402041      6.083578
  H      -6.253428      1.256912      2.699158
  H     -10.646436      2.549496      2.385450
  H     -12.115821      4.106936      3.676833
  H     -11.182383      5.411237      5.583750
  H      -8.799179      5.196326      6.196899
  H       0.786015      0.938958      3.928009
  H      -0.769572      1.467399      3.258424
  H      -0.395580     -0.470493      5.637684
  H      -2.069681     -1.825335      4.836224
  H      -3.738522      1.512995      0.983550
  H      -6.093012     -2.368916      0.377656
  H      -5.989508     -4.667681      1.360497
  H      -4.285044     -5.200009      3.099032
  H      -2.730757     -3.469697      3.897559
  H      -2.863782     -0.679040      8.030173
  H      -3.546361      0.079751      6.592554
  H      -4.207600      1.197459      9.377108
  H      -6.454453      1.142051      8.788631
  H      -5.545724     -1.720288      4.305418
  H      -9.992007     -0.634834      4.168529
  H     -11.501664      0.804275      5.552295
  H     -10.594905      2.000843      7.540584
  H      -8.238171      1.754905      8.181526
  N      -3.114557      2.389159      4.664754
  H      -2.757654      1.895248      3.836779
  H      -4.130288      2.483421      4.527759
92
Coordinates from ORCA-job orca E -6200.687675272044
  N      -2.698278      4.397450      7.013982
  Mo     -1.984539      2.646903      6.278628
  N      -2.225269      1.294887      7.669819
  C      -1.303361      1.229373      8.794517
  C      -0.725394      2.617035      9.050258
  N      -0.349208      3.243534      7.758532
  C      -0.393385      4.721234      7.793222
  C      -1.834590      5.205824      7.859972
  C       0.941954      2.738615      7.227145
  C       0.907933      2.760274      5.697998
  N      -0.335768      2.161531      5.235592
  H      -1.854330      6.272360      7.555542
  H      -2.201028      5.193881      8.911455
  H       0.070716      5.074009      6.861199
  H       0.200125      5.117029      8.638753
  H       1.784792      2.207527      5.316924
  H       1.017958      3.801807      5.334781
  H       1.055253      1.699559      7.565510
  H       1.784045      3.329860      7.631732
  H      -1.807792      0.880159      9.714080
  H      -0.495091      0.496674      8.586671
  H      -1.503806      3.246697      9.501049
  H       0.136444      2.583206      9.741473
  C      -4.074252      4.878070      7.119624
  C      -5.032607      4.060998      6.329680
  C      -6.223608      4.432758      5.826717
  C      -6.956362      3.584214      4.887529
  N      -6.257707      2.655375      4.220428
  C      -6.888525      1.965626      3.243278
  N      -8.141480      2.098810      2.842211
  C      -8.899141      2.991737      3.545708
  C     -10.268473      3.142449      3.214333
  C     -11.066378      4.010459      3.930783
  C     -10.530727      4.762292      5.002501
  C      -9.195788      4.647818      5.335886
  C      -8.350237      3.770547      4.613723
  C      -0.263441      1.182288      4.147403
  C      -0.798107     -0.129569      4.647219
  C      -1.788598     -0.936171      4.189225
  C      -2.675917     -0.788878      3.045228
  N      -2.750252      0.387046      2.401337
  C      -3.687465      0.530424      1.442504
  N      -4.578956     -0.358245      1.034892
  C      -4.494310     -1.590460      1.622124
  C      -5.407815     -2.596247      1.222208
  C      -5.342305     -3.858176      1.776339
  C      -4.355750     -4.163645      2.739949
  C      -3.461982     -3.196458      3.159321
  C      -3.519135     -1.882880      2.630348
  C      -3.259049      0.260429      7.619376
  C      -4.449516      0.686902      8.421984
  C      -5.759479      0.655009      8.083307
  C      -6.360137      0.108532      6.872327
  N      -5.617073     -0.657191      6.063465
  C      -6.206300     -1.169591      4.959593
  N      -7.471793     -1.069948      4.594482
  C      -8.262703     -0.294899      5.397200
  C      -9.626883     -0.133050      5.053800
  C     -10.445528      0.674324      5.814875
  C      -9.929695      1.354751      6.940263
  C      -8.605639      1.206117      7.303345
  C      -7.742081      0.366985      6.555533
  H      -4.150732      5.946882      6.828623
  H      -4.373162      4.846458      8.194722
  H      -4.707621      3.040611      6.125070
  H      -6.634892      5.422691      6.041507
  H      -6.273960      1.232555      2.709822
  H     -10.662821      2.541779      2.393508
  H     -12.122535      4.115883      3.675798
  H     -11.178364      5.435554      5.566480
  H      -8.792530      5.220079      6.172229
  H       0.795947      1.027921      3.864467
  H      -0.791632      1.524264      3.247865
  H      -0.307674     -0.454254      5.571928
  H      -1.975070     -1.827612      4.789722
  H      -3.732833      1.518951      0.974034
  H      -6.152532     -2.335222      0.469337
  H      -6.051052     -4.628163      1.466983
  H      -4.301828     -5.170030      3.158004
  H      -2.704317     -3.457118      3.897957
  H      -2.859292     -0.699763      8.005799
  H      -3.552556      0.075062      6.581085
  H      -4.205744      1.157535      9.381438
  H      -6.454365      1.102017      8.795105
  H      -5.546256     -1.749734      4.306633
  H      -9.988863     -0.645123      4.161549
  H     -11.492008      0.808628      5.536833
  H     -10.580966      2.010815      7.519634
  H      -8.225836      1.753375      8.165598
  N      -3.122478      2.353974      4.676615
  H      -2.766119      1.862170      3.847023
  H      -4.135714      2.465399      4.536002
92
Coordinates from ORCA-job orca E -6200.688909887642
  N      -2.698817      4.393416      6.993587
  Mo     -1.986270      2.634243      6.278098
  N      -2.230383      1.277178      7.663716
  C      -1.315725      1.212210      8.795395
  C      -0.739548      2.599838      9.055432
  N      -0.360392      3.229421      7.765839
  C      -0.403033      4.707428      7.804602
  C      -1.844179      5.190306      7.861195
  C       0.932472      2.724383      7.238613
  C       0.911908      2.767219      5.710730
  N      -0.332130      2.185806      5.225984
  H      -1.862254      6.260824      7.571458
  H      -2.222551      5.163558      8.908065
  H       0.068628      5.062858      6.877494
  H       0.183487      5.100358      8.656189
  H       1.788421      2.213060      5.331182
  H       1.033461      3.812484      5.362171
  H       1.035862      1.679835      7.563023
  H       1.774786      3.304525      7.658542
  H      -1.826805      0.863398      9.711378
  H      -0.506774      0.478973      8.593588
  H      -1.519247      3.227998      9.506153
  H       0.120805      2.564991      9.748387
  C      -4.074537      4.878609      7.092427
  C      -5.037901      4.060974      6.308712
  C      -6.222361      4.440706      5.796573
  C      -6.962663      3.588281      4.866734
  N      -6.270140      2.652239      4.203184
  C      -6.908582      1.958706      3.233167
  N      -8.162267      2.096016      2.835416
  C      -8.913316      2.996676      3.536191
  C     -10.283296      3.151743      3.209618
  C     -11.074450      4.026698      3.925301
  C     -10.531191      4.781608      4.991069
  C      -9.195209      4.663351      5.319138
  C      -8.356684      3.778789      4.597508
  C      -0.250328      1.230161      4.115926
  C      -0.731700     -0.108762      4.598636
  C      -1.716817     -0.928531      4.151138
  C      -2.635164     -0.779015      3.032530
  N      -2.714699      0.393607      2.382215
  C      -3.674591      0.539402      1.446786
  N      -4.585612     -0.342700      1.068908
  C      -4.498411     -1.571820      1.662940
  C      -5.433963     -2.569686      1.295796
  C      -5.366978     -3.828973      1.855982
  C      -4.356255     -4.139371      2.792477
  C      -3.440733     -3.179297      3.180713
  C      -3.498782     -1.867814      2.646243
  C      -3.260476      0.238739      7.607018
  C      -4.448151      0.652439      8.420240
  C      -5.758987      0.621458      8.085408
  C      -6.362378      0.085229      6.871297
  N      -5.623942     -0.681944      6.059896
  C      -6.217496     -1.188747      4.955547
  N      -7.483339     -1.082741      4.593205
  C      -8.268678     -0.303632      5.397626
  C      -9.632253     -0.132888      5.056148
  C     -10.443922      0.681351      5.817456
  C      -9.921399      1.360313      6.940791
  C      -8.598111      1.202118      7.302569
  C      -7.742193      0.354781      6.555194
  H      -4.145628      5.945694      6.794574
  H      -4.375330      4.855573      8.167093
  H      -4.725398      3.033828      6.120141
  H      -6.622545      5.438258      5.996718
  H      -6.300241      1.218605      2.702501
  H     -10.683899      2.548723      2.393546
  H     -12.131256      4.135307      3.674316
  H     -11.173701      5.460319      5.554401
  H      -8.785373      5.238168      6.150554
  H       0.806031      1.120227      3.804217
  H      -0.812714      1.573402      3.238414
  H      -0.210267     -0.439647      5.504082
  H      -1.869844     -1.833214      4.740717
  H      -3.720408      1.523843      0.969683
  H      -6.196801     -2.304512      0.562790
  H      -6.093277     -4.592478      1.572417
  H      -4.300778     -5.143684      3.215311
  H      -2.665905     -3.446252      3.898950
  H      -2.854841     -0.724176      7.980237
  H      -3.557830      0.065449      6.567769
  H      -4.202280      1.111728      9.384606
  H      -6.453025      1.059181      8.803969
  H      -5.561286     -1.770075      4.299995
  H      -9.999190     -0.642871      4.164728
  H     -11.489809      0.822861      5.540722
  H     -10.566963      2.022748      7.519347
  H      -8.212280      1.748351      8.162868
  N      -3.131403      2.319161      4.684687
  H      -2.771119      1.832704      3.854012
  H      -4.142020      2.443958      4.538346
92
Coordinates from ORCA-job orca E -6200.690052057706
  N      -2.700071      4.388761      6.979546
  Mo     -1.991222      2.621830      6.280963
  N      -2.236378      1.259327      7.662044
  C      -1.327059      1.194715      8.798790
  C      -0.752181      2.582240      9.062382
  N      -0.371373      3.214327      7.774484
  C      -0.411882      4.692606      7.816964
  C      -1.852749      5.174891      7.865505
  C       0.921899      2.707785      7.249691
  C       0.912119      2.771442      5.723344
  N      -0.334105      2.210047      5.218063
  H      -1.869186      6.248763      7.588742
  H      -2.241045      5.135150      8.908217
  H       0.065915      5.050051      6.893854
  H       0.169406      5.082522      8.673420
  H       1.786637      2.215169      5.342640
  H       1.045630      3.820198      5.389606
  H       1.015169      1.658124      7.560500
  H       1.765409      3.276175      7.683222
  H      -1.843387      0.846381      9.711993
  H      -0.517641      0.460916      8.601971
  H      -1.532332      3.209452      9.513788
  H       0.107660      2.546142      9.755901
  C      -4.075509      4.879060      7.071807
  C      -5.043848      4.060920      6.294424
  C      -6.220865      4.448332      5.771429
  C      -6.967026      3.590836      4.850805
  N      -6.279499      2.644471      4.196895
  C      -6.922788      1.943428      3.235002
  N      -8.176117      2.083862      2.836643
  C      -8.921892      2.995981      3.528441
  C     -10.291537      3.154801      3.201991
  C     -11.077482      4.040375      3.910538
  C     -10.529256      4.802619      4.968707
  C      -9.193350      4.680963      5.296103
  C      -8.360267      3.785567      4.581424
  C      -0.244992      1.283045      4.082371
  C      -0.673803     -0.081953      4.540702
  C      -1.653047     -0.914285      4.101544
  C      -2.602777     -0.765552      3.009519
  N      -2.690289      0.402095      2.350265
  C      -3.671225      0.545858      1.436659
  N      -4.596905     -0.333234      1.088551
  C      -4.504195     -1.557782      1.691926
  C      -5.455902     -2.551429      1.356532
  C      -5.385131     -3.806517      1.925966
  C      -4.354111     -4.116373      2.840112
  C      -3.422346     -3.159746      3.197916
  C      -3.483086     -1.852169      2.653861
  C      -3.263219      0.217195      7.601383
  C      -4.446641      0.619287      8.426543
  C      -5.758566      0.590601      8.096593
  C      -6.363913      0.064285      6.879137
  N      -5.629454     -0.706841      6.068226
  C      -6.225179     -1.209293      4.962973
  N      -7.490351     -1.095426      4.600130
  C      -8.270776     -0.309842      5.403243
  C      -9.632629     -0.128410      5.060058
  C     -10.437908      0.694790      5.818653
  C      -9.910519      1.372554      6.940701
  C      -8.589168      1.203293      7.304673
  C      -7.740420      0.345916      6.560593
  H      -4.140897      5.944244      6.766424
  H      -4.377740      4.864909      8.146044
  H      -4.745118      3.026617      6.123509
  H      -6.609513      5.453854      5.954217
  H      -6.319316      1.193338      2.712710
  H     -10.696397      2.546110      2.392174
  H     -12.134113      4.151785      3.659795
  H     -11.167838      5.489648      5.526499
  H      -8.779100      5.261438      6.121489
  H       0.806229      1.219048      3.743149
  H      -0.839566      1.630062      3.228379
  H      -0.122047     -0.421446      5.424928
  H      -1.770729     -1.832815      4.677571
  H      -3.721348      1.525581      0.950187
  H      -6.234538     -2.286161      0.640299
  H      -6.124675     -4.566275      1.667581
  H      -4.295520     -5.117249      3.270730
  H      -2.633055     -3.428455      3.899553
  H      -2.851730     -0.747874      7.962401
  H      -3.565784      0.054488      6.562052
  H      -4.196846      1.067335      9.395189
  H      -6.451379      1.020304      8.821478
  H      -5.572008     -1.794448      4.307816
  H     -10.003105     -0.636804      4.169143
  H     -11.482273      0.844801      5.540423
  H     -10.550790      2.042857      7.516197
  H      -8.198689      1.748753      8.163508
  N      -3.146165      2.287477      4.697919
  H      -2.780677      1.809920      3.864675
  H      -4.154138      2.424227      4.545546
92
Coordinates from ORCA-job orca E -6200.691130133895
  N      -2.704834      4.379230      6.966354
  Mo     -1.997819      2.605828      6.283250
  N      -2.240936      1.237960      7.660895
  C      -1.336486      1.175646      8.802022
  C      -0.764887      2.564195      9.067776
  N      -0.384295      3.198379      7.780678
  C      -0.424247      4.676892      7.826263
  C      -1.865260      5.157048      7.867987
  C       0.909636      2.692005      7.257577
  C       0.909476      2.774455      5.733205
  N      -0.339222      2.232100      5.210499
  H      -1.881676      6.233617      7.602407
  H      -2.262015      5.105455      8.906843
  H       0.058200      5.036615      6.906586
  H       0.152233      5.064593      8.686810
  H       1.781466      2.215812      5.350802
  H       1.053750      3.825821      5.412221
  H       0.994687      1.638067      7.555951
  H       1.753616      3.250214      7.703101
  H      -1.856892      0.827496      9.712957
  H      -0.525408      0.442656      8.610452
  H      -1.546343      3.189487      9.519597
  H       0.094890      2.528989      9.761337
  C      -4.080258      4.872889      7.051403
  C      -5.051602      4.053325      6.279170
  C      -6.220612      4.448013      5.743847
  C      -6.973810      3.587919      4.831152
  N      -6.293539      2.631938      4.183977
  C      -6.943180      1.928214      3.227899
  N      -8.195475      2.075914      2.828892
  C      -8.933800      2.998774      3.514269
  C     -10.302340      3.166033      3.187400
  C     -11.081020      4.062299      3.890525
  C     -10.526376      4.827381      4.943350
  C      -9.191202      4.697727      5.270638
  C      -8.365610      3.791210      4.561327
  C      -0.241369      1.335609      4.049348
  C      -0.612204     -0.053680      4.482411
  C      -1.584463     -0.899812      4.053511
  C      -2.566778     -0.751222      2.991575
  N      -2.663820      0.413174      2.327067
  C      -3.666412      0.557033      1.437450
  N      -4.605596     -0.318580      1.118202
  C      -4.506456     -1.539622      1.728461
  C      -5.473124     -2.528415      1.423625
  C      -5.397591     -3.780283      1.999809
  C      -4.346814     -4.091140      2.890499
  C      -3.399771     -3.138674      3.218716
  C      -3.463831     -1.834467      2.667066
  C      -3.262995      0.190626      7.596645
  C      -4.442716      0.581494      8.432675
  C      -5.755996      0.556105      8.108225
  C      -6.364969      0.041116      6.887510
  N      -5.636535     -0.733752      6.074962
  C      -6.236105     -1.228671      4.968365
  N      -7.500787     -1.104808      4.606688
  C      -8.274261     -0.313412      5.410771
  C      -9.634435     -0.119007      5.067901
  C     -10.431181      0.712791      5.826104
  C      -9.896761      1.386588      6.947349
  C      -8.577344      1.203883      7.311722
  C      -7.737913      0.336896      6.568377
  H      -4.141085      5.935885      6.738287
  H      -4.384785      4.867164      8.124888
  H      -4.766041      3.012138      6.127385
  H      -6.597040      5.461222      5.909149
  H      -6.346197      1.169418      2.711354
  H     -10.712484      2.555240      2.381851
  H     -12.136866      4.180131      3.639504
  H     -11.159316      5.522955      5.496917
  H      -8.771507      5.280411      6.091708
  H       0.802456      1.322021      3.683745
  H      -0.868364      1.682785      3.219207
  H      -0.027139     -0.399807      5.342377
  H      -1.664644     -1.831888      4.613976
  H      -3.721191      1.532686      0.943308
  H      -6.267482     -2.261957      0.725363
  H      -6.149337     -4.535812      1.765515
  H      -4.284601     -5.089195      3.327076
  H      -2.595879     -3.409554      3.902739
  H      -2.845422     -0.775855      7.946553
  H      -3.570452      0.037472      6.557524
  H      -4.188395      1.018100      9.405310
  H      -6.446654      0.978334      8.839692
  H      -5.587724     -1.816892      4.311362
  H     -10.010047     -0.623680      4.177059
  H     -11.473970      0.873175      5.547832
  H     -10.530076      2.064364      7.521776
  H      -8.180653      1.746149      8.169766
  N      -3.161168      2.252646      4.709485
  H      -2.791061      1.783971      3.873608
  H      -4.167074      2.397971      4.551486
92
Coordinates from ORCA-job orca E -6200.692154352036
  N      -2.710003      4.367419      6.957594
  Mo     -2.005869      2.588199      6.288871
  N      -2.244822      1.216724      7.665623
  C      -1.344212      1.158372      8.810243
  C      -0.775793      2.548271      9.075510
  N      -0.396264      3.182646      7.788071
  C      -0.435765      4.661334      7.834852
  C      -1.877049      5.139516      7.871088
  C       0.897276      2.675097      7.265601
  C       0.904718      2.773651      5.743071
  N      -0.347782      2.251285      5.206205
  H      -1.893683      6.217971      7.613687
  H      -2.280546      5.078809      8.906703
  H       0.049939      5.022172      6.917435
  H       0.137095      5.048027      8.698173
  H       1.772507      2.210707      5.358079
  H       1.060561      3.826704      5.432891
  H       0.974238      1.617554      7.553360
  H       1.742541      3.223418      7.720833
  H      -1.867999      0.811803      9.719825
  H      -0.531534      0.425889      8.624605
  H      -1.558345      3.172399      9.527081
  H       0.084358      2.515185      9.768691
  C      -4.085349      4.864418      7.034597
  C      -5.058872      4.042670      6.267406
  C      -6.218580      4.443880      5.717009
  C      -6.977360      3.580277      4.812226
  N      -6.303757      2.611850      4.177043
  C      -6.957727      1.902908      3.227364
  N      -8.208035      2.057165      2.824527
  C      -8.939848      2.993518      3.498514
  C     -10.306570      3.168361      3.167911
  C     -11.079014      4.078104      3.860653
  C     -10.519724      4.849590      4.906392
  C      -9.186048      4.712578      5.236908
  C      -8.366920      3.792256      4.538044
  C      -0.245406      1.390195      4.016765
  C      -0.559461     -0.021528      4.418361
  C      -1.524840     -0.880698      3.998083
  C      -2.539472     -0.731689      2.967679
  N      -2.646804      0.429807      2.298519
  C      -3.669219      0.573209      1.431627
  N      -4.618869     -0.300111      1.138703
  C      -4.512277     -1.517783      1.755130
  C      -5.490333     -2.503120      1.477444
  C      -5.409374     -3.751944      2.059907
  C      -4.342181     -4.062268      2.930672
  C      -3.383259     -3.112627      3.232382
  C      -3.450899     -1.812059      2.672831
  C      -3.262790      0.164741      7.601341
  C      -4.438357      0.547688      8.447141
  C      -5.753022      0.525796      8.128570
  C      -6.365186      0.018874      6.905777
  N      -5.642669     -0.762785      6.094647
  C      -6.244660     -1.252022      4.986860
  N      -7.507930     -1.116785      4.623717
  C      -8.274741     -0.316973      5.425783
  C      -9.632181     -0.107913      5.080274
  C     -10.420406      0.735036      5.835076
  C      -9.880178      1.405786      6.955527
  C      -8.563755      1.208347      7.323066
  C      -7.733658      0.329407      6.583386
  H      -4.141660      5.924820      6.712523
  H      -4.392492      4.867905      8.107190
  H      -4.787284      2.994842      6.136869
  H      -6.582068      5.464961      5.862177
  H      -6.366536      1.133005      2.720943
  H     -10.720578      2.552674      2.368062
  H     -12.133502      4.201811      3.606748
  H     -11.147818      5.555874      5.451865
  H      -8.762451      5.300047      6.052579
  H       0.788157      1.427283      3.625239
  H      -0.904325      1.739458      3.213079
  H       0.060492     -0.376051      5.249982
  H      -1.567211     -1.826323      4.539696
  H      -3.730041      1.545557      0.931600
  H      -6.298418     -2.236514      0.795176
  H      -6.170505     -4.504395      1.847019
  H      -4.276296     -5.057365      3.373439
  H      -2.567299     -3.383920      3.901820
  H      -2.839633     -0.801956      7.943614
  H      -3.575829      0.017630      6.563228
  H      -4.178841      0.975850      9.422195
  H      -6.441258      0.943588      8.864999
  H      -5.600573     -1.845361      4.330280
  H     -10.012009     -0.609789      4.189639
  H     -11.460724      0.906977      5.554396
  H     -10.506531      2.092863      7.526574
  H      -8.161579      1.748203      8.180125
  N      -3.177566      2.216794      4.725163
  H      -2.803447      1.756762      3.886499
  H      -4.181621      2.369026      4.561580
92
Coordinates from ORCA-job orca E -6200.693107125167
  N      -2.718280      4.352717      6.951397
  Mo     -2.016907      2.569075      6.294236
  N      -2.248735      1.195068      7.671173
  C      -1.350232      1.141362      8.817640
  C      -0.785628      2.533155      9.081199
  N      -0.409450      3.167414      7.792747
  C      -0.449307      4.646004      7.840102
  C      -1.891077      5.121413      7.873382
  C       0.882921      2.659222      7.269111
  C       0.895658      2.770528      5.748420
  N      -0.361357      2.267103      5.201672
  H      -1.909062      6.201169      7.622141
  H      -2.299163      5.053093      8.906545
  H       0.037510      5.007958      6.923832
  H       0.121271      5.032511      8.704909
  H       1.758048      2.201283      5.361089
  H       1.063171      3.824034      5.445755
  H       0.953376      1.598866      7.548074
  H       1.729846      3.199001      7.731311
  H      -1.875603      0.796055      9.726742
  H      -0.535671      0.409980      8.636533
  H      -1.569304      3.155558      9.533166
  H       0.075700      2.503203      9.773015
  C      -4.093434      4.852520      7.020975
  C      -5.068440      4.028858      6.257816
  C      -6.217971      4.437163      5.691514
  C      -6.983943      3.572981      4.793590
  N      -6.319388      2.592862      4.167233
  C      -6.979709      1.883268      3.222004
  N      -8.227817      2.047539      2.816531
  C      -8.950882      2.996270      3.482436
  C     -10.315537      3.182134      3.149427
  C     -11.079375      4.104852      3.834578
  C     -10.513139      4.878828      4.874669
  C      -9.181114      4.731017      5.207212
  C      -8.370858      3.797238      4.516078
  C      -0.255220      1.441599      3.985822
  C      -0.508546      0.010651      4.357912
  C      -1.464561     -0.864221      3.947730
  C      -2.509510     -0.716318      2.948771
  N      -2.629015      0.443541      2.277601
  C      -3.669215      0.585665      1.431978
  N      -4.624737     -0.287818      1.160154
  C      -4.508657     -1.503006      1.780390
  C      -5.492377     -2.487989      1.523187
  C      -5.403768     -3.734636      2.109649
  C      -4.323978     -4.041917      2.965425
  C      -3.358743     -3.092143      3.246832
  C      -3.431740     -1.794975      2.680567
  C      -3.262016      0.137900      7.608306
  C      -4.434297      0.515241      8.461571
  C      -5.750195      0.497514      8.148456
  C      -6.366147     -0.001741      6.924175
  N      -5.650824     -0.791403      6.114602
  C      -6.255970     -1.273855      5.005586
  N      -7.517588     -1.125886      4.641282
  C      -8.276692     -0.317195      5.441532
  C      -9.631172     -0.092440      5.093966
  C     -10.409782      0.761900      5.845835
  C      -9.862976      1.428592      6.965571
  C      -8.549799      1.215364      7.335760
  C      -7.729979      0.324425      6.599056
  H      -4.145734      5.910377      6.690595
  H      -4.403129      4.864205      8.092654
  H      -4.810849      2.974858      6.149472
  H      -6.566987      5.465924      5.817340
  H      -6.395950      1.104037      2.721827
  H     -10.735066      2.564607      2.353907
  H     -12.132350      4.237106      3.578825
  H     -11.134479      5.595508      5.414233
  H      -8.751967      5.320185      6.018733
  H       0.765221      1.531233      3.569550
  H      -0.946783      1.787261      3.209060
  H       0.148348     -0.347056      5.159221
  H      -1.467933     -1.821837      4.469493
  H      -3.737649      1.555779      0.928518
  H      -6.311687     -2.223041      0.853820
  H      -6.169655     -4.486573      1.912768
  H      -4.253020     -5.034452      3.413084
  H      -2.533426     -3.360965      3.905618
  H      -2.833531     -0.827968      7.945855
  H      -3.579773     -0.006185      6.571255
  H      -4.169958      0.936900      9.438187
  H      -6.435568      0.912570      8.889109
  H      -5.617549     -1.873720      4.349541
  H     -10.015845     -0.590951      4.203553
  H     -11.447399      0.946245      5.563097
  H     -10.481590      2.124908      7.533826
  H      -8.141593      1.751888      8.192026
  N      -3.197331      2.179658      4.741628
  H      -2.820861      1.728277      3.899667
  H      -4.200136      2.336634      4.573824
92
Coordinates from ORCA-job orca E -6200.693991699800
  N      -2.726978      4.337317      6.949449
  Mo     -2.029542      2.550181      6.301958
  N      -2.252100      1.175330      7.680610
  C      -1.353942      1.126837      8.827516
  C      -0.793020      2.520700      9.087884
  N      -0.421341      3.153756      7.797782
  C      -0.461639      4.632072      7.844157
  C      -1.904081      5.104791      7.876571
  C       0.868592      2.643356      7.271704
  C       0.884581      2.763766      5.752441
  N      -0.378051      2.279805      5.199268
  H      -1.923864      6.185271      7.629038
  H      -2.314752      5.031132      8.908188
  H       0.024605      4.994208      6.927718
  H       0.108171      5.019521      8.709024
  H       1.739924      2.185279      5.363268
  H       1.065551      3.816420      5.454273
  H       0.932729      1.580801      7.543973
  H       1.718269      3.175013      7.738332
  H      -1.879521      0.783151      9.737079
  H      -0.537805      0.396409      8.649747
  H      -1.577443      3.141661      9.540573
  H       0.070077      2.494372      9.777678
  C      -4.101719      4.840288      7.011385
  C      -5.077896      4.014522      6.252115
  C      -6.215480      4.429934      5.667235
  C      -6.987431      3.564547      4.776007
  N      -6.331141      2.571095      4.162288
  C      -6.996060      1.859080      3.221673
  N      -8.241344      2.032091      2.811445
  C      -8.956819      2.994440      3.466003
  C     -10.319207      3.189371      3.128970
  C     -11.075642      4.125878      3.803754
  C     -10.503875      4.905050      4.836892
  C      -9.173711      4.748302      5.173037
  C      -8.371199      3.800265      4.492557
  C      -0.272041      1.491275      3.957657
  C      -0.468563      0.044281      4.298852
  C      -1.415307     -0.845403      3.897330
  C      -2.487351     -0.698507      2.927668
  N      -2.619183      0.460139      2.255302
  C      -3.674074      0.599970      1.427680
  N      -4.631586     -0.275667      1.171178
  C      -4.505709     -1.488726      1.794241
  C      -5.490190     -2.476151      1.550364
  C      -5.393917     -3.720788      2.140392
  C      -4.306797     -4.022092      2.988684
  C      -3.339949     -3.069664      3.256354
  C      -3.417702     -1.776240      2.682495
  C      -3.260990      0.113319      7.621610
  C      -4.429915      0.487774      8.481098
  C      -5.747025      0.473842      8.173522
  C      -6.366697     -0.020507      6.949037
  N      -5.658585     -0.819981      6.142947
  C      -6.266437     -1.297332      5.033195
  N      -7.525593     -1.135577      4.665994
  C      -8.277089     -0.316459      5.462644
  C      -9.627891     -0.075309      5.111300
  C     -10.396929      0.791555      5.858645
  C      -9.844344      1.454644      6.977788
  C      -8.535051      1.225259      7.352052
  C      -7.725446      0.321349      6.619875
  H      -4.149858      5.895531      6.672450
  H      -4.413945      4.860221      8.082082
  H      -4.835084      2.954765      6.168107
  H      -6.548722      5.466423      5.771928
  H      -6.419256      1.068686      2.731139
  H     -10.743132      2.567811      2.338909
  H     -12.126990      4.265189      3.545018
  H     -11.119439      5.632679      5.368393
  H      -8.740261      5.341125      5.979649
  H       0.733066      1.630892      3.518554
  H      -0.994887      1.832064      3.208829
  H       0.222806     -0.314540      5.070225
  H      -1.381054     -1.814178      4.397024
  H      -3.750976      1.569035      0.923187
  H      -6.317022     -2.214896      0.888802
  H      -6.160510     -4.474607      1.953646
  H      -4.231172     -5.011908      3.441607
  H      -2.509420     -3.333333      3.910680
  H      -2.827098     -0.850586      7.957490
  H      -3.583065     -0.031353      6.585946
  H      -4.160904      0.905681      9.458137
  H      -6.429352      0.888323      8.917407
  H      -5.633482     -1.904967      4.379065
  H     -10.016843     -0.570983      4.221146
  H     -11.431286      0.988736      5.572530
  H     -10.455289      2.160883      7.542126
  H      -8.121329      1.758819      8.207573
  N      -3.219629      2.143067      4.761884
  H      -2.842499      1.700166      3.915977
  H      -4.221517      2.303801      4.591250
92
Coordinates from ORCA-job orca E -6200.694828174775
  N      -2.738839      4.319244      6.953621
  Mo     -2.044599      2.530911      6.310010
  N      -2.254815      1.152945      7.688456
  C      -1.355322      1.108624      8.834216
  C      -0.798588      2.504486      9.092309
  N      -0.433939      3.138598      7.800982
  C      -0.475452      4.616401      7.848490
  C      -1.918690      5.085757      7.883909
  C       0.852887      2.628118      7.269275
  C       0.869382      2.758800      5.751620
  N      -0.398822      2.293416      5.195097
  H      -1.941554      6.166915      7.640213
  H      -2.329124      5.006451      8.915004
  H       0.007969      4.980203      6.931291
  H       0.095253      5.003930      8.712660
  H       1.717308      2.171410      5.359371
  H       1.062842      3.810454      5.457692
  H       0.912666      1.563292      7.533576
  H       1.705551      3.152206      7.738990
  H      -1.879185      0.764797      9.744656
  H      -0.537616      0.380003      8.657074
  H      -1.583612      3.122589      9.547808
  H       0.067184      2.481547      9.778858
  C      -4.112686      4.824980      7.009961
  C      -5.089523      3.998535      6.252751
  C      -6.213839      4.422491      5.648624
  C      -6.992821      3.558419      4.762734
  N      -6.346682      2.550646      4.161888
  C      -7.016865      1.838825      3.224572
  N      -8.257672      2.024371      2.807356
  C      -8.963924      3.001279      3.450229
  C     -10.322814      3.208848      3.107193
  C     -11.070371      4.159948      3.771420
  C     -10.492655      4.941711      4.799138
  C      -9.165373      4.772658      5.140698
  C      -8.372183      3.809250      4.471307
  C      -0.293560      1.545319      3.927601
  C      -0.428503      0.083617      4.234219
  C      -1.362761     -0.823825      3.841939
  C      -2.464243     -0.681463      2.905531
  N      -2.615390      0.475619      2.233278
  C      -3.688773      0.609728      1.429100
  N      -4.646370     -0.270967      1.192342
  C      -4.504432     -1.481140      1.818189
  C      -5.488239     -2.473650      1.593994
  C      -5.378365     -3.715033      2.188793
  C      -4.279306     -4.006422      3.024701
  C      -3.312088     -3.048818      3.272306
  C      -3.400482     -1.760490      2.688933
  C      -3.259282      0.086216      7.633414
  C      -4.426063      0.458461      8.496825
  C      -5.743815      0.448377      8.192354
  C      -6.365695     -0.040974      6.967002
  N      -5.664441     -0.850515      6.165042
  C      -6.274007     -1.321985      5.053709
  N      -7.530018     -1.146279      4.682600
  C      -8.274421     -0.316895      5.475177
  C      -9.620916     -0.059377      5.118842
  C     -10.380795      0.819816      5.860999
  C      -9.823455      1.478988      6.980082
  C      -8.518729      1.233290      7.359646
  C      -7.718860      0.316730      6.632632
  H      -4.157062      5.878359      6.665240
  H      -4.427436      4.850312      8.079698
  H      -4.861828      2.933555      6.192299
  H      -6.529432      5.466387      5.733528
  H      -6.448841      1.036343      2.744025
  H     -10.751462      2.585251      2.321342
  H     -12.119235      4.309072      3.508302
  H     -11.101292      5.681101      5.322228
  H      -8.727348      5.367360      5.943431
  H       0.693291      1.738059      3.467888
  H      -1.047881      1.877915      3.207664
  H       0.298580     -0.271860      4.973711
  H      -1.286434     -1.802773      4.316569
  H      -3.779277      1.577473      0.924052
  H      -6.326156     -2.219126      0.943896
  H      -6.144252     -4.472994      2.016740
  H      -4.194656     -4.992404      3.484278
  H      -2.473319     -3.303809      3.919416
  H      -2.820334     -0.875437      7.968827
  H      -3.584346     -0.060108      6.599072
  H      -4.154258      0.873157      9.474446
  H      -6.424073      0.862679      8.938267
  H      -5.646244     -1.937617      4.402011
  H     -10.013308     -0.551952      4.228536
  H     -11.411350      1.029925      5.570544
  H     -10.427057      2.194866      7.540076
  H      -8.100394      1.763518      8.214990
  N      -3.244575      2.109195      4.782475
  H      -2.869560      1.674281      3.931756
  H      -4.246538      2.271449      4.612651
92
Coordinates from ORCA-job orca E -6200.695612891694
  N      -2.753217      4.297873      6.960133
  Mo     -2.061313      2.508307      6.323021
  N      -2.256500      1.131947      7.707510
  C      -1.353594      1.097023      8.850661
  C      -0.801945      2.496136      9.100205
  N      -0.445809      3.126666      7.805029
  C      -0.489940      4.604149      7.847816
  C      -1.934451      5.068756      7.887835
  C       0.837577      2.614316      7.268398
  C       0.852269      2.747864      5.751702
  N      -0.421558      2.298387      5.195802
  H      -1.962073      6.149427      7.642711
  H      -2.341679      4.988694      8.920013
  H      -0.011585      4.966424      6.927398
  H       0.083241      4.995880      8.708483
  H       1.692528      2.149955      5.358129
  H       1.058129      3.797089      5.456978
  H       0.894425      1.548609      7.529876
  H       1.693494      3.133771      7.737478
  H      -1.873975      0.756521      9.764364
  H      -0.534179      0.369863      8.675841
  H      -1.587388      3.112680      9.557102
  H       0.067188      2.479789      9.782783
  C      -4.126461      4.804976      7.009325
  C      -5.101805      3.974529      6.255207
  C      -6.210612      4.404687      5.626998
  C      -6.993393      3.539863      4.745518
  N      -6.354649      2.518373      4.160301
  C      -7.026081      1.805705      3.224023
  N      -8.261310      2.001753      2.795706
  C      -8.961392      2.992467      3.424171
  C     -10.315751      3.210893      3.070534
  C     -11.057187      4.176551      3.720823
  C     -10.477318      4.962587      4.743989
  C      -9.153935      4.782821      5.095575
  C      -8.367417      3.803979      4.441059
  C      -0.319680      1.591285      3.904404
  C      -0.403114      0.118265      4.173455
  C      -1.327133     -0.801505      3.784715
  C      -2.452184     -0.658261      2.877107
  N      -2.616796      0.499823      2.208791
  C      -3.700827      0.630637      1.418519
  N      -4.654840     -0.255345      1.187366
  C      -4.502202     -1.464888      1.812539
  C      -5.481150     -2.463143      1.593060
  C      -5.363006     -3.702967      2.189990
  C      -4.261867     -3.985340      3.026135
  C      -3.298321     -3.022286      3.267705
  C      -3.391878     -1.737666      2.677154
  C      -3.257841      0.061368      7.664173
  C      -4.419805      0.437476      8.532333
  C      -5.738531      0.432676      8.232539
  C      -6.364337     -0.053803      7.008193
  N      -5.670801     -0.873913      6.210522
  C      -6.283092     -1.340557      5.098518
  N      -7.535871     -1.150121      4.723678
  C      -8.272226     -0.309557      5.512056
  C      -9.614047     -0.034680      5.150810
  C     -10.363652      0.857754      5.887637
  C      -9.800758      1.512876      7.006439
  C      -8.500879      1.250055      7.391037
  C      -7.711808      0.320113      6.669221
  H      -4.168573      5.855618      6.656352
  H      -4.444236      4.837764      8.077925
  H      -4.888936      2.905269      6.222259
  H      -6.508127      5.455615      5.688544
  H      -6.464229      0.992066      2.755389
  H     -10.746123      2.584194      2.288084
  H     -12.102793      4.334253      3.449841
  H     -11.081210      5.713698      5.255772
  H      -8.714321      5.380697      5.895097
  H       0.649162      1.831638      3.429113
  H      -1.100934      1.918181      3.211618
  H       0.353712     -0.236230      4.883078
  H      -1.215195     -1.790604      4.230547
  H      -3.801437      1.599541      0.917391
  H      -6.322864     -2.214239      0.945670
  H      -6.125111     -4.465521      2.021465
  H      -4.172752     -4.968467      3.491000
  H      -2.459436     -3.269250      3.917666
  H      -2.813965     -0.896466      8.003802
  H      -3.588396     -0.092882      6.632750
  H      -4.143066      0.852395      9.508497
  H      -6.415131      0.850686      8.979772
  H      -5.660850     -1.964609      4.449546
  H     -10.010556     -0.524073      4.260577
  H     -11.390119      1.081613      5.592904
  H     -10.396171      2.239040      7.561982
  H      -8.077312      1.776821      8.245966
  N      -3.267989      2.068895      4.806792
  H      -2.894250      1.638389      3.953559
  H      -4.270102      2.231925      4.636705
92
Coordinates from ORCA-job orca E -6200.696346721951
  N      -2.766532      4.276766      6.972846
  Mo     -2.077059      2.489684      6.332117
  N      -2.258032      1.107602      7.711814
  C      -1.352666      1.074726      8.853300
  C      -0.805543      2.475800      9.103811
  N      -0.457007      3.110333      7.808974
  C      -0.503006      4.587015      7.854969
  C      -1.948436      5.047868      7.900948
  C       0.823128      2.599386      7.264425
  C       0.835423      2.743412      5.748892
  N      -0.443869      2.311410      5.192256
  H      -1.980448      6.128830      7.658363
  H      -2.352933      4.963312      8.933646
  H      -0.029301      4.951981      6.933248
  H       0.072539      4.978311      8.714223
  H       1.667871      2.137133      5.351002
  H       1.053250      3.791478      5.458276
  H       0.877818      1.531536      7.517392
  H       1.682186      3.112373      7.734920
  H      -1.870407      0.731597      9.767422
  H      -0.531774      0.350111      8.676228
  H      -1.591796      3.087948      9.565243
  H       0.066087      2.461468      9.783313
  C      -4.138763      4.786398      7.018333
  C      -5.113905      3.956964      6.262742
  C      -6.205924      4.397486      5.612770
  C      -6.995459      3.535824      4.734593
  N      -6.367782      2.498667      4.165174
  C      -7.043436      1.785918      3.231892
  N      -8.272710      1.994958      2.793839
  C      -8.963090      3.001483      3.407902
  C     -10.313088      3.232577      3.046221
  C     -11.045432      4.213629      3.683709
  C     -10.460215      5.003157      4.701017
  C      -9.140609      4.810939      5.060168
  C      -8.363721      3.815757      4.419218
  C      -0.346251      1.651194      3.875627
  C      -0.371157      0.168518      4.102059
  C      -1.279493     -0.769274      3.719315
  C      -2.433971     -0.636698      2.847852
  N      -2.625232      0.517529      2.179197
  C      -3.730305      0.635550      1.416671
  N      -4.680798     -0.260156      1.211087
  C      -4.505142     -1.463956      1.841836
  C      -5.481284     -2.470902      1.652313
  C      -5.343015     -3.703574      2.259761
  C      -4.224826     -3.968898      3.078480
  C      -3.262648     -2.997334      3.289464
  C      -3.374419     -1.721321      2.683941
  C      -3.256412      0.033527      7.670611
  C      -4.416885      0.407222      8.541456
  C      -5.735992      0.405648      8.242871
  C      -6.364310     -0.075513      7.017572
  N      -5.678752     -0.904748      6.222194
  C      -6.294147     -1.364396      5.108825
  N      -7.544005     -1.160286      4.732182
  C      -8.272205     -0.310493      5.518418
  C      -9.609532     -0.018970      5.153595
  C     -10.348664      0.885447      5.886385
  C      -9.779806      1.535462      7.005081
  C      -8.484686      1.255789      7.393656
  C      -7.706421      0.314083      6.675494
  H      -4.177383      5.836443      6.663623
  H      -4.458945      4.820612      8.086125
  H      -4.915466      2.884371      6.251943
  H      -6.483329      5.454836      5.656229
  H      -6.491143      0.958742      2.776110
  H     -10.747794      2.603212      2.268343
  H     -12.087949      4.381152      3.406873
  H     -11.057052      5.766784      5.202407
  H      -8.696990      5.411408      5.855547
  H       0.602034      1.943037      3.388180
  H      -1.154329      1.971079      3.211196
  H       0.417907     -0.179378      4.779114
  H      -1.126310     -1.764557      4.138407
  H      -3.851491      1.601637      0.914428
  H      -6.337862     -2.234226      1.019996
  H      -6.102783     -4.473123      2.114112
  H      -4.121544     -4.945248      3.554581
  H      -2.412060     -3.229665      3.929379
  H      -2.808536     -0.922697      8.009411
  H      -3.589116     -0.121986      6.640134
  H      -4.139032      0.818223      9.518947
  H      -6.410943      0.823138      8.991952
  H      -5.677553     -1.994867      4.460391
  H     -10.010414     -0.504476      4.263235
  H     -11.371150      1.122748      5.588347
  H     -10.366829      2.270830      7.557415
  H      -8.055897      1.778575      8.248444
  N      -3.291953      2.040262      4.826067
  H      -2.921155      1.619245      3.967206
  H      -4.295550      2.200165      4.660967
92
Coordinates from ORCA-job orca E -6200.697021268795
  N      -2.784774      4.253784      6.987729
  Mo     -2.095453      2.469545      6.344660
  N      -2.258805      1.085041      7.725751
  C      -1.348458      1.059342      8.863189
  C      -0.807266      2.463551      9.108253
  N      -0.469278      3.098013      7.810844
  C      -0.518914      4.574314      7.855359
  C      -1.965635      5.029554      7.910633
  C       0.807719      2.588423      7.258701
  C       0.814965      2.734857      5.743942
  N      -0.469516      2.315943      5.191105
  H      -2.004212      6.109929      7.666719
  H      -2.363337      4.944283      8.945782
  H      -0.052856      4.939771      6.929988
  H       0.061141      4.968526      8.710217
  H       1.640053      2.119500      5.343887
  H       1.043250      3.780339      5.451380
  H       0.862854      1.520087      7.509170
  H       1.669393      3.099293      7.726548
  H      -1.860729      0.716528      9.780511
  H      -0.525409      0.337658      8.684910
  H      -1.593907      3.072112      9.573685
  H       0.068135      2.454587      9.783049
  C      -4.156674      4.763250      7.029184
  C      -5.129058      3.931320      6.272606
  C      -6.202208      4.380040      5.597351
  C      -6.997256      3.521292      4.721513
  N      -6.380154      2.470294      4.166552
  C      -7.058706      1.759663      3.233377
  N      -8.281380      1.982210      2.784162
  C      -8.962456      3.003088      3.384741
  C     -10.306789      3.248738      3.012228
  C     -11.029835      4.245360      3.636171
  C     -10.440308      5.036682      4.649451
  C      -9.125717      4.830096      5.018986
  C      -8.358715      3.818114      4.392679
  C      -0.376913      1.698420      3.854086
  C      -0.351063      0.210395      4.041696
  C      -1.245390     -0.741326      3.661584
  C      -2.422291     -0.615235      2.819958
  N      -2.633022      0.538373      2.155740
  C      -3.749561      0.646042      1.408347
  N      -4.691500     -0.260292      1.210186
  C      -4.499271     -1.461082      1.842189
  C      -5.466676     -2.478118      1.662427
  C      -5.314176     -3.706137      2.276055
  C      -4.191338     -3.955389      3.093388
  C      -3.236266     -2.974355      3.292940
  C      -3.359904     -1.704873      2.676362
  C      -3.254556      0.007909      7.693927
  C      -4.411453      0.384429      8.568032
  C      -5.730998      0.388264      8.271502
  C      -6.363461     -0.089294      7.047018
  N      -5.687554     -0.929513      6.255019
  C      -6.308161     -1.384943      5.142587
  N      -7.555350     -1.167080      4.765020
  C      -8.273257     -0.305075      5.547531
  C      -9.605915      0.003496      5.179802
  C     -10.332621      0.922250      5.907206
  C      -9.756019      1.568852      7.023861
  C      -8.465835      1.271900      7.415805
  C      -7.700169      0.316301      6.702523
  H      -4.194401      5.812030      6.671133
  H      -4.479844      4.799884      8.096006
  H      -4.944453      2.856197      6.287246
  H      -6.458939      5.443233      5.620407
  H      -6.514489      0.922052      2.787740
  H     -10.744959      2.618334      2.237206
  H     -12.068253      4.424255      3.351358
  H     -11.029911      5.813053      5.139606
  H      -8.678881      5.431988      5.811423
  H       0.551382      2.036139      3.357771
  H      -1.208462      2.010419      3.215314
  H       0.465052     -0.131370      4.689007
  H      -1.058502     -1.741920      4.053688
  H      -3.886788      1.611533      0.909105
  H      -6.328904     -2.252547      1.033784
  H      -6.067299     -4.483571      2.138286
  H      -4.078854     -4.926613      3.577757
  H      -2.383455     -3.193128      3.934543
  H      -2.802695     -0.945197      8.036072
  H      -3.591302     -0.154092      6.665662
  H      -4.130527      0.794067      9.545127
  H      -6.402912      0.808725      9.021617
  H      -5.699359     -2.025295      4.496622
  H     -10.012664     -0.479702      4.290920
  H     -11.350916      1.173436      5.606313
  H     -10.333188      2.315040      7.571983
  H      -8.030629      1.791978      8.268918
  N      -3.314346      2.007834      4.846415
  H      -2.944878      1.593014      3.984505
  H      -4.319224      2.164740      4.684916
92
Coordinates from ORCA-job orca E -6200.697631684735
  N      -2.802445      4.230128      7.004578
  Mo     -2.112095      2.451012      6.355519
  N      -2.258823      1.061792      7.734104
  C      -1.344074      1.040634      8.868268
  C      -0.808414      2.447119      9.111401
  N      -0.479738      3.084310      7.813070
  C      -0.533853      4.560177      7.859121
  C      -1.982172      5.009556      7.923412
  C       0.794963      2.578149      7.252773
  C       0.796459      2.729245      5.738609
  N      -0.492798      2.322385      5.188983
  H      -2.027386      6.089599      7.679402
  H      -2.373688      4.922423      8.960675
  H      -0.074992      4.927761      6.930971
  H       0.050196      4.956037      8.710535
  H       1.614898      2.106959      5.334797
  H       1.033718      3.772943      5.446008
  H       0.852235      1.509075      7.499609
  H       1.658491      3.087829      7.718480
  H      -1.851646      0.696044      9.787538
  H      -0.518740      0.322297      8.687392
  H      -1.595781      3.051271      9.581412
  H       0.070061      2.441783      9.782369
  C      -4.174662      4.738616      7.043419
  C      -5.144463      3.905201      6.284256
  C      -6.196771      4.362860      5.583024
  C      -6.996377      3.507372      4.708052
  N      -6.389569      2.442204      4.169457
  C      -7.069840      1.732379      3.236601
  N      -8.285832      1.966828      2.775659
  C      -8.957795      3.002746      3.360749
  C     -10.296376      3.261575      2.976602
  C     -11.010499      4.274186      3.585031
  C     -10.417264      5.069164      4.593308
  C      -9.107979      4.849518      4.974120
  C      -8.350470      3.820358      4.364380
  C      -0.406724      1.747842      3.832826
  C      -0.333962      0.257077      3.980859
  C      -1.214808     -0.707389      3.602486
  C      -2.414083     -0.589170      2.791807
  N      -2.647633      0.562947      2.132359
  C      -3.777618      0.658021      1.403059
  N      -4.710285     -0.260275      1.216223
  C      -4.497789     -1.457075      1.849488
  C      -5.456518     -2.485024      1.685585
  C      -5.286351     -3.706842      2.307132
  C      -4.155058     -3.938071      3.118243
  C      -3.206919     -2.946848      3.300291
  C      -3.346469     -1.685348      2.671251
  C      -3.252495     -0.017911      7.709241
  C      -4.405629      0.359833      8.587609
  C      -5.725779      0.368851      8.294014
  C      -6.363792     -0.104821      7.070959
  N      -5.698527     -0.955511      6.281177
  C      -6.326518     -1.407712      5.171288
  N      -7.571448     -1.175894      4.794511
  C      -8.277340     -0.300953      5.573781
  C      -9.605328      0.025454      5.204438
  C     -10.317873      0.959342      5.926734
  C      -9.731697      1.602497      7.040428
  C      -8.446407      1.287535      7.434479
  C      -7.695152      0.317252      6.725739
  H      -4.212096      5.787027      6.684476
  H      -4.499938      4.774947      8.109537
  H      -4.973616      2.828086      6.322917
  H      -6.431885      5.431318      5.586619
  H      -6.533607      0.883064      2.803696
  H     -10.737632      2.628709      2.205296
  H     -12.044695      4.463343      3.291485
  H     -10.999929      5.858666      5.070702
  H      -8.658427      5.454242      5.762923
  H       0.501235      2.128891      3.329890
  H      -1.259676      2.052032      3.219603
  H       0.507210     -0.078692      4.598483
  H      -0.995786     -1.712374      3.966468
  H      -3.934598      1.622437      0.907464
  H      -6.327176     -2.272286      1.064026
  H      -6.032939     -4.492755      2.182098
  H      -4.030634     -4.903150      3.611977
  H      -2.348471     -3.150047      3.939800
  H      -2.796775     -0.968588      8.053007
  H      -3.592877     -0.184380      6.682702
  H      -4.121264      0.766761      9.564851
  H      -6.394263      0.791226      9.046295
  H      -5.726635     -2.057840      4.526734
  H     -10.019348     -0.455554      4.317695
  H     -11.331982      1.225047      5.623951
  H     -10.297529      2.360246      7.584610
  H      -8.003413      1.805296      8.285062
  N      -3.337422      1.978612      4.866026
  H      -2.971030      1.571578      3.999560
  H      -4.344700      2.128360      4.712612
92
Coordinates from ORCA-job orca E -6200.698175562658
  N      -2.823869      4.207221      7.025446
  Mo     -2.131076      2.435031      6.365314
  N      -2.259125      1.037295      7.738723
  C      -1.337956      1.018651      8.867484
  C      -0.808525      2.427622      9.110980
  N      -0.492038      3.070310      7.812652
  C      -0.551528      4.545751      7.863508
  C      -2.001154      4.988987      7.939868
  C       0.780598      2.570592      7.242565
  C       0.774340      2.728003      5.729498
  N      -0.519035      2.330082      5.184457
  H      -2.053299      6.068994      7.697428
  H      -2.384611      4.898678      8.979735
  H      -0.101333      4.917719      6.932874
  H       0.037443      4.941486      8.711533
  H       1.587696      2.102178      5.320312
  H       1.016792      3.770903      5.437790
  H       0.842356      1.500728      7.484835
  H       1.645194      3.080702      7.705587
  H      -1.838491      0.669980      9.789028
  H      -0.510106      0.304785      8.680734
  H      -1.596063      3.025825      9.588257
  H       0.074159      2.425138      9.776429
  C      -4.196341      4.713633      7.064825
  C      -5.163188      3.880183      6.301373
  C      -6.193768      4.347687      5.575106
  C      -6.999585      3.497994      4.700169
  N      -6.406019      2.417905      4.177416
  C      -7.089654      1.710969      3.244618
  N      -8.297706      1.960575      2.771585
  C      -8.957697      3.012653      3.341329
  C     -10.289204      3.288256      2.944774
  C     -10.991490      4.318337      3.537432
  C     -10.392761      5.114831      4.541168
  C      -9.089979      4.878581      4.934011
  C      -8.344925      3.830642      4.341196
  C      -0.438552      1.794949      3.811955
  C      -0.318383      0.304079      3.921840
  C      -1.183684     -0.674431      3.544475
  C      -2.404337     -0.568120      2.764882
  N      -2.663980      0.581496      2.110469
  C      -3.806916      0.660245      1.399244
  N      -4.726837     -0.272804      1.223235
  C      -4.491101     -1.464452      1.857852
  C      -5.438032     -2.505626      1.710008
  C      -5.247350     -3.719909      2.340423
  C      -4.107932     -3.929423      3.145941
  C      -3.169592     -2.925793      3.310156
  C      -3.327794     -1.673551      2.667465
  C      -3.251499     -0.043977      7.721831
  C      -4.400186      0.336698      8.604665
  C      -5.720716      0.351981      8.313619
  C      -6.363574     -0.119777      7.092626
  N      -5.709050     -0.983619      6.308245
  C      -6.344033     -1.436112      5.202405
  N      -7.586263     -1.191549      4.825074
  C      -8.279897     -0.300679      5.597377
  C      -9.602510      0.042712      5.224374
  C     -10.300718      0.994056      5.937925
  C      -9.705521      1.636879      7.046948
  C      -8.425869      1.304781      7.445162
  C      -7.689138      0.317696      6.744652
  H      -4.234638      5.762560      6.707872
  H      -4.523181      4.746413      8.130527
  H      -5.007350      2.801476      6.362098
  H      -6.406156      5.420770      5.560931
  H      -6.562753      0.850573      2.822649
  H     -10.734884      2.654585      2.176745
  H     -12.020431      4.520641      3.234518
  H     -10.966111      5.918784      5.005452
  H      -8.636348      5.484667      5.719389
  H       0.448020      2.217852      3.303971
  H      -1.311375      2.087960      3.222127
  H       0.546902     -0.023015      4.509856
  H      -0.931939     -1.681960      3.879468
  H      -3.986535      1.622470      0.907186
  H      -6.316996     -2.308546      1.095061
  H      -5.985090     -4.516043      2.228414
  H      -3.969513     -4.887271      3.649867
  H      -2.305631     -3.110600      3.947915
  H      -2.793031     -0.992642      8.067358
  H      -3.596221     -0.214431      6.697457
  H      -4.111696      0.741262      9.581570
  H      -6.386039      0.777725      9.066899
  H      -5.753544     -2.099081      4.562352
  H     -10.023390     -0.438784      4.341189
  H     -11.310059      1.273511      5.631718
  H     -10.259841      2.407842      7.584310
  H      -7.975439      1.822727      8.291718
  N      -3.360436      1.955459      4.881654
  H      -2.996620      1.555938      4.011095
  H      -4.369882      2.098067      4.736005
92
Coordinates from ORCA-job orca E -6200.698645098163
  N      -2.843484      4.182116      7.043314
  Mo     -2.145329      2.418984      6.372037
  N      -2.257496      1.013115      7.739351
  C      -1.331544      0.996453      8.864641
  C      -0.808391      2.407058      9.110302
  N      -0.501204      3.056228      7.812931
  C      -0.568413      4.531130      7.869890
  C      -2.020323      4.966282      7.955641
  C       0.771103      2.564950      7.234603
  C       0.757904      2.729342      5.722362
  N      -0.538329      2.337399      5.180157
  H      -2.079860      6.046439      7.715699
  H      -2.397913      4.871445      8.997192
  H      -0.125539      4.908770      6.937970
  H       0.023294      4.926983      8.716010
  H       1.567949      2.102762      5.307150
  H       1.003024      3.772560      5.433310
  H       0.839408      1.494389      7.472195
  H       1.635207      3.077335      7.696069
  H      -1.826963      0.642920      9.787072
  H      -0.500641      0.287472      8.672963
  H      -1.597152      2.999074      9.593429
  H       0.077160      2.407019      9.772065
  C      -4.217736      4.684117      7.082491
  C      -5.180769      3.849904      6.313871
  C      -6.188163      4.325337      5.560956
  C      -6.997338      3.479810      4.684602
  N      -6.414793      2.386286      4.178240
  C      -7.099069      1.681246      3.244147
  N      -8.299460      1.942906      2.758447
  C      -8.949582      3.009597      3.312300
  C     -10.274123      3.299066      2.902271
  C     -10.966692      4.345208      3.478131
  C     -10.364636      5.144700      4.477588
  C      -9.068453      4.894636      4.883655
  C      -8.333720      3.829513      4.308740
  C      -0.463095      1.838834      3.793480
  C      -0.304410      0.349679      3.867453
  C      -1.158309     -0.637998      3.489243
  C      -2.397623     -0.538278      2.738751
  N      -2.679741      0.609772      2.090926
  C      -3.835728      0.676872      1.399138
  N      -4.746870     -0.267094      1.235017
  C      -4.491263     -1.454661      1.869500
  C      -5.430136     -2.505528      1.738971
  C      -5.221496     -3.713284      2.376470
  C      -4.072584     -3.906092      3.172860
  C      -3.140449     -2.893697      3.317875
  C      -3.315318     -1.649611      2.664008
  C      -3.248834     -0.069834      7.729776
  C      -4.392070      0.313118      8.619061
  C      -5.714002      0.334203      8.334836
  C      -6.365994     -0.135257      7.117716
  N      -5.724492     -1.010729      6.335590
  C      -6.369759     -1.461989      5.234990
  N      -7.610056     -1.203309      4.860346
  C      -8.288908     -0.298024      5.629047
  C      -9.606801      0.063599      5.256304
  C     -10.288203      1.031066      5.964559
  C      -9.680854      1.671219      7.068656
  C      -8.406122      1.320897      7.467192
  C      -7.686441      0.318159      6.771305
  H      -4.258562      5.733916      6.728425
  H      -4.545708      4.711579      8.147837
  H      -5.040143      2.770299      6.396654
  H      -6.378412      5.402214      5.528664
  H      -6.580149      0.809891      2.834843
  H     -10.722519      2.663492      2.137320
  H     -11.990396      4.558324      3.164882
  H     -10.930306      5.961899      4.928088
  H      -8.612511      5.503062      5.665969
  H       0.404599      2.297674      3.283544
  H      -1.351833      2.122403      3.223452
  H       0.580575      0.028342      4.428648
  H      -0.881586     -1.648145      3.796222
  H      -4.035120      1.637891      0.912302
  H      -6.317988     -2.320607      1.132977
  H      -5.953208     -4.516893      2.278346
  H      -3.922060     -4.857732      3.685131
  H      -2.269277     -3.063481      3.950365
  H      -2.786963     -1.016397      8.076410
  H      -3.598352     -0.244227      6.707556
  H      -4.097144      0.715221      9.595084
  H      -6.373851      0.763023      9.091418
  H      -5.790209     -2.135924      4.596293
  H     -10.037003     -0.416471      4.376781
  H     -11.293309      1.325180      5.657863
  H     -10.221671      2.454654      7.601871
  H      -7.945681      1.837392      8.309356
  N      -3.381066      1.930350      4.896771
  H      -3.020803      1.539181      4.021213
  H      -4.393335      2.062865      4.761113
92
Coordinates from ORCA-job orca E -6200.699042459059
  N      -2.867096      4.159481      7.065225
  Mo     -2.163413      2.407216      6.375976
  N      -2.257631      0.986425      7.730399
  C      -1.324021      0.966457      8.849478
  C      -0.807853      2.378884      9.103897
  N      -0.513918      3.040426      7.810045
  C      -0.589058      4.514595      7.879529
  C      -2.042577      4.941690      7.978068
  C       0.758025      2.561439      7.220780
  C       0.735904      2.738506      5.710430
  N      -0.563049      2.350257      5.172439
  H      -2.109009      6.022960      7.745305
  H      -2.413216      4.838211      9.021162
  H      -0.154621      4.902271      6.947753
  H       0.006108      4.906552      8.724992
  H       1.544170      2.115943      5.285678
  H       0.979180      3.783972      5.427691
  H       0.834129      1.489510      7.449628
  H       1.621256      3.075586      7.681739
  H      -1.811454      0.603133      9.772270
  H      -0.490204      0.263931      8.647195
  H      -1.596773      2.961677      9.597902
  H       0.082311      2.378835      9.759408
  C      -4.242109      4.657890      7.107942
  C      -5.202261      3.827170      6.331915
  C      -6.186100      4.313229      5.555249
  C      -7.003948      3.476033      4.678995
  N      -6.439699      2.365829      4.189274
  C      -7.130975      1.664569      3.257296
  N      -8.322796      1.944087      2.760993
  C      -8.955687      3.029424      3.298484
  C     -10.272108      3.339061      2.877333
  C     -10.947667      4.405201      3.436518
  C     -10.335803      5.205225      4.429519
  C      -9.047121      4.935140      4.846421
  C      -8.330035      3.848870      4.289130
  C      -0.494832      1.885718      3.773524
  C      -0.292272      0.400851      3.815013
  C      -1.129974     -0.601175      3.439030
  C      -2.388568     -0.519040      2.719231
  N      -2.701496      0.622353      2.073676
  C      -3.870171      0.666177      1.401131
  N      -4.764340     -0.296179      1.251083
  C      -4.479676     -1.475586      1.888120
  C      -5.400626     -2.544175      1.775740
  C      -5.163751     -3.742218      2.421849
  C      -4.004711     -3.906844      3.209783
  C      -3.088497     -2.877453      3.335009
  C      -3.290829     -1.644170      2.668968
  C      -3.249577     -0.096481      7.727155
  C      -4.386232      0.289165      8.624145
  C      -5.709361      0.317665      8.346859
  C      -6.369140     -0.150916      7.133675
  N      -5.740757     -1.042197      6.358872
  C      -6.394300     -1.495149      5.263946
  N      -7.631040     -1.221900      4.887984
  C      -8.295303     -0.298554      5.647819
  C      -9.606597      0.081730      5.270477
  C     -10.271656      1.067813      5.968546
  C      -9.654546      1.707455      7.067523
  C      -8.386466      1.338960      7.470849
  C      -7.683186      0.318291      6.784486
  H      -4.285004      5.709928      6.761106
  H      -4.570872      4.675980      8.173142
  H      -5.080327      2.746291      6.433135
  H      -6.351958      5.393537      5.507457
  H      -6.624913      0.780815      2.858995
  H     -10.728253      2.703177      2.117279
  H     -11.965281      4.634069      3.114777
  H     -10.887981      6.038828      4.866439
  H      -8.583914      5.544170      5.623963
  H       0.350691      2.381073      3.260355
  H      -1.400530      2.154872      3.223359
  H       0.613175      0.092305      4.349971
  H      -0.824159     -1.610058      3.721808
  H      -4.096503      1.622112      0.916231
  H      -6.297977     -2.380379      1.177756
  H      -5.881842     -4.559623      2.338061
  H      -3.833892     -4.849971      3.731331
  H      -2.209365     -3.023419      3.962392
  H      -2.785898     -1.042528      8.072429
  H      -3.605246     -0.271655      6.707106
  H      -4.083620      0.688372      9.598927
  H      -6.363921      0.750757      9.105702
  H      -5.826182     -2.184532      4.631562
  H     -10.044343     -0.399142      4.395151
  H     -11.271113      1.376517      5.657805
  H     -10.182235      2.505035      7.592816
  H      -7.917534      1.855883      8.308100
  N      -3.401148      1.915557      4.903479
  H      -3.042827      1.533987      4.023201
  H      -4.415620      2.037783      4.775870
92
Coordinates from ORCA-job orca E -6200.699395550923
  N      -2.888585      4.134640      7.083154
  Mo     -2.174937      2.395257      6.377249
  N      -2.253161      0.962603      7.721341
  C      -1.312964      0.940949      8.835359
  C      -0.803880      2.354033      9.097258
  N      -0.521929      3.027608      7.806788
  C      -0.608654      4.500600      7.889318
  C      -2.065221      4.915942      7.998344
  C       0.751157      2.564223      7.207636
  C       0.719765      2.752294      5.698854
  N      -0.579641      2.361117      5.164159
  H      -2.140395      5.998297      7.773659
  H      -2.430400      4.801977      9.042131
  H      -0.182202      4.899694      6.958662
  H      -0.012449      4.890029      8.735193
  H       1.529045      2.137648      5.264644
  H       0.955953      3.801199      5.422810
  H       0.838610      1.491631      7.428884
  H       1.611582      3.083571      7.667857
  H      -1.793314      0.568138      9.757975
  H      -0.475681      0.245531      8.623620
  H      -1.593813      2.927562      9.600469
  H       0.090131      2.354817      9.747481
  C      -4.266529      4.625263      7.129825
  C      -5.223269      3.795519      6.347648
  C      -6.183636      4.288314      5.546436
  C      -7.003298      3.457010      4.666126
  N      -6.451324      2.334145      4.192227
  C      -7.142314      1.637458      3.256270
  N      -8.323459      1.932314      2.743771
  C      -8.944884      3.032239      3.264826
  C     -10.250958      3.359761      2.825417
  C     -10.915090      4.442104      3.366831
  C     -10.301470      5.241009      4.359593
  C      -9.022664      4.953084      4.794513
  C      -8.317531      3.849754      4.255917
  C      -0.513698      1.923622      3.756080
  C      -0.281170      0.442667      3.768779
  C      -1.110055     -0.566361      3.392556
  C      -2.382864     -0.490448      2.697288
  N      -2.714048      0.648106      2.056286
  C      -3.895911      0.684366      1.406502
  N      -4.786501     -0.283838      1.273650
  C      -4.485354     -1.459447      1.910137
  C      -5.402935     -2.532905      1.819265
  C      -5.150887     -3.724805      2.471093
  C      -3.980178     -3.878171      3.243909
  C      -3.066044     -2.844569      3.346352
  C      -3.282817     -1.618512      2.671558
  C      -3.244663     -0.120995      7.726259
  C      -4.374001      0.267053      8.631792
  C      -5.699073      0.300329      8.365556
  C      -6.369519     -0.170232      7.158827
  N      -5.754158     -1.075590      6.389942
  C      -6.417483     -1.531358      5.302076
  N      -7.652205     -1.246731      4.927949
  C      -8.302154     -0.307994      5.681039
  C      -9.608925      0.086962      5.303052
  C     -10.258128      1.089294      5.992723
  C      -9.629787      1.730313      7.084600
  C      -8.366412      1.347437      7.489084
  C      -7.678952      0.311155      6.810284
  H      -4.314537      5.679317      6.790047
  H      -4.594862      4.633145      8.195108
  H      -5.119372      2.714524      6.467154
  H      -6.327777      5.370939      5.482975
  H      -6.645040      0.743440      2.869928
  H     -10.708575      2.724842      2.065473
  H     -11.924826      4.684896      3.030925
  H     -10.844457      6.087944      4.782066
  H      -8.558491      5.561457      5.571962
  H       0.316631      2.446620      3.245291
  H      -1.429623      2.183137      3.218237
  H       0.638321      0.140934      4.283125
  H      -0.787820     -1.575460      3.655803
  H      -4.137741      1.638614      0.925823
  H      -6.310190     -2.377468      1.234170
  H      -5.866444     -4.545978      2.403923
  H      -3.798972     -4.815798      3.771807
  H      -2.177851     -2.979641      3.963204
  H      -2.777820     -1.065545      8.070978
  H      -3.607097     -0.298449      6.709182
  H      -4.061933      0.665654      9.603784
  H      -6.346601      0.737883      9.127938
  H      -5.860542     -2.233767      4.674086
  H     -10.055392     -0.395763      4.433209
  H     -11.253547      1.409544      5.680733
  H     -10.144930      2.540223      7.603405
  H      -7.887937      1.865739      8.320109
  N      -3.419874      1.895607      4.914456
  H      -3.065658      1.525953      4.027633
  H      -4.437328      2.004340      4.798837
92
Coordinates from ORCA-job orca E -6200.699718470309
  N      -2.916882      4.106793      7.103718
  Mo     -2.190427      2.384026      6.376014
  N      -2.249893      0.934014      7.703501
  C      -1.300364      0.906825      8.810548
  C      -0.801123      2.320662      9.087087
  N      -0.533809      3.012977      7.803077
  C      -0.636205      4.484256      7.905396
  C      -2.096689      4.883106      8.026899
  C       0.741501      2.571654      7.191298
  C       0.698054      2.779058      5.685217
  N      -0.601381      2.380605      5.155237
  H      -2.182755      5.967742      7.817142
  H      -2.456485      4.751474      9.070435
  H      -0.218792      4.900446      6.978050
  H      -0.039932      4.868800      8.753583
  H       1.510612      2.179319      5.236530
  H       0.920827      3.834235      5.421601
  H       0.843069      1.497587      7.399111
  H       1.598166      3.095815      7.653226
  H      -1.771208      0.518806      9.731769
  H      -0.458515      0.221246      8.584715
  H      -1.592244      2.880910      9.603441
  H       0.097825      2.321155      9.730555
  C      -4.297859      4.588391      7.155339
  C      -5.250732      3.762026      6.365201
  C      -6.185891      4.262876      5.539470
  C      -7.010389      3.439390      4.656332
  N      -6.477017      2.299646      4.202436
  C      -7.172813      1.605971      3.267245
  N      -8.343923      1.917435      2.741038
  C      -8.947229      3.037023      3.241483
  C     -10.241998      3.385958      2.785112
  C     -10.887388      4.490740      3.304023
  C     -10.265567      5.290918      4.290765
  C      -8.997469      4.981468      4.742537
  C      -8.311455      3.855284      4.226830
  C      -0.544938      1.969857      3.738971
  C      -0.277512      0.495065      3.726930
  C      -1.094046     -0.525632      3.356313
  C      -2.383487     -0.465405      2.690532
  N      -2.745269      0.666978      2.055445
  C      -3.939105      0.682096      1.425875
  N      -4.813435     -0.302863      1.305790
  C      -4.481809     -1.472293      1.938590
  C      -5.379635     -2.563421      1.861289
  C      -5.095722     -3.749268      2.511711
  C      -3.912558     -3.878513      3.270198
  C      -3.016943     -2.827447      3.358046
  C      -3.265579     -1.607966      2.682488
  C      -3.240158     -0.151445      7.713148
  C      -4.359330      0.234114      8.633138
  C      -5.687287      0.274385      8.382937
  C      -6.372716     -0.191561      7.182370
  N      -5.778664     -1.115224      6.418544
  C      -6.454970     -1.564709      5.335713
  N      -7.682345     -1.251297      4.959032
  C      -8.308571     -0.291735      5.705685
  C      -9.604073      0.135566      5.323478
  C     -10.227907      1.157894      6.007375
  C      -9.584943      1.787308      7.097898
  C      -8.332329      1.373818      7.505967
  C      -7.671111      0.316983      6.832694
  H      -4.352311      5.645726      6.826273
  H      -4.625478      4.582269      8.220705
  H      -5.168680      2.680539      6.499637
  H      -6.306913      5.347518      5.461380
  H      -6.690056      0.697151      2.897354
  H     -10.706195      2.749853      2.029983
  H     -11.888553      4.750286      2.954870
  H     -10.793799      6.155745      4.695660
  H      -8.527531      5.590894      5.515843
  H       0.264009      2.522087      3.224542
  H      -1.475412      2.214618      3.219196
  H       0.659028      0.206768      4.217882
  H      -0.747449     -1.532045      3.598870
  H      -4.206424      1.631803      0.949682
  H      -6.297570     -2.426603      1.288089
  H      -5.796190     -4.584325      2.454786
  H      -3.707425     -4.811181      3.798382
  H      -2.118396     -2.941992      3.964168
  H      -2.768406     -1.096109      8.050362
  H      -3.612126     -0.326385      6.698672
  H      -4.033945      0.629559      9.602179
  H      -6.324512      0.716612      9.151580
  H      -5.916204     -2.285154      4.712130
  H     -10.061779     -0.339566      4.455146
  H     -11.214091      1.502806      5.691851
  H     -10.079556      2.613051      7.611982
  H      -7.840611      1.883897      8.334607
  N      -3.439559      1.878400      4.918789
  H      -3.089082      1.520796      4.025540
  H      -4.459580      1.972621      4.813992
92
Coordinates from ORCA-job orca E -6200.700021211330
  N      -2.942079      4.088944      7.126490
  Mo     -2.207071      2.380134      6.376573
  N      -2.245869      0.914892      7.687989
  C      -1.283651      0.881082      8.784258
  C      -0.791252      2.294831      9.073962
  N      -0.543712      3.004423      7.795720
  C      -0.658373      4.473374      7.918338
  C      -2.121330      4.858490      8.055432
  C       0.730707      2.583553      7.168395
  C       0.670672      2.808604      5.665672
  N      -0.629000      2.399011      5.143830
  H      -2.217047      5.945071      7.861102
  H      -2.473347      4.709266      9.098965
  H      -0.251819      4.906024      6.993778
  H      -0.059667      4.851484      8.767540
  H       1.486454      2.225929      5.201289
  H       0.875365      3.870038      5.413592
  H       0.844915      1.508293      7.362592
  H       1.585727      3.111475      7.628775
  H      -1.741588      0.477812      9.705201
  H      -0.439429      0.204992      8.540255
  H      -1.580445      2.842654      9.606238
  H       0.115069      2.293839      9.706726
  C      -4.325075      4.563247      7.190712
  C      -5.280169      3.742612      6.397245
  C      -6.193829      4.252319      5.552982
  C      -7.022716      3.440325      4.664180
  N      -6.509069      2.285307      4.227028
  C      -7.207993      1.600352      3.287559
  N      -8.363177      1.935255      2.741353
  C      -8.946809      3.073504      3.222737
  C     -10.225539      3.449497      2.743639
  C     -10.851490      4.574373      3.242589
  C     -10.225371      5.367856      4.231709
  C      -8.972694      5.031206      4.706249
  C      -8.306626      3.884128      4.211220
  C      -0.579303      2.004864      3.722191
  C      -0.282187      0.535701      3.690054
  C      -1.086142     -0.497234      3.325286
  C      -2.387154     -0.455067      2.680355
  N      -2.770123      0.668699      2.042771
  C      -3.972670      0.666835      1.430132
  N      -4.836776     -0.328524      1.327030
  C      -4.483852     -1.490274      1.962606
  C      -5.369669     -2.591964      1.902909
  C      -5.065525     -3.769400      2.559387
  C      -3.874166     -3.878969      3.307684
  C      -2.989714     -2.817381      3.377434
  C      -3.257835     -1.606930      2.693158
  C      -3.234893     -0.171011      7.706840
  C      -4.345342      0.214602      8.637180
  C      -5.674515      0.255783      8.397655
  C      -6.363972     -0.218799      7.202859
  N      -5.778415     -1.161879      6.456240
  C      -6.457134     -1.621132      5.379339
  N      -7.679805     -1.299947      4.994524
  C      -8.296517     -0.321037      5.723459
  C      -9.584577      0.117327      5.329138
  C     -10.196694      1.159339      5.993230
  C      -9.549401      1.798250      7.075710
  C      -8.304168      1.374904      7.495463
  C      -7.655072      0.298420      6.842091
  H      -4.384747      5.623329      6.872185
  H      -4.647459      4.544834      8.257429
  H      -5.221319      2.660955      6.542867
  H      -6.291837      5.338342      5.463731
  H      -6.740534      0.678648      2.930711
  H     -10.693315      2.818121      1.986919
  H     -11.840252      4.855130      2.875409
  H     -10.737921      6.249125      4.620645
  H      -8.500170      5.635921      5.481483
  H       0.212858      2.579624      3.206799
  H      -1.519656      2.236619      3.214421
  H       0.668378      0.262142      4.161833
  H      -0.718049     -1.498965      3.554968
  H      -4.257388      1.610988      0.953081
  H      -6.295127     -2.470075      1.338700
  H      -5.756919     -4.612651      2.515530
  H      -3.653989     -4.804713      3.841738
  H      -2.084801     -2.915525      3.976563
  H      -2.759466     -1.115276      8.039290
  H      -3.616231     -0.344594      6.695846
  H      -4.010188      0.612332      9.601815
  H      -6.307422      0.702920      9.166938
  H      -5.927039     -2.360361      4.770604
  H     -10.045369     -0.365836      4.467061
  H     -11.176656      1.512395      5.667840
  H     -10.034742      2.638908      7.573943
  H      -7.807829      1.891880      8.316961
  N      -3.465463      1.868614      4.929718
  H      -3.121933      1.523495      4.029004
  H      -4.488081      1.947866      4.839584
92
Coordinates from ORCA-job orca E -6200.700264572123
  N      -2.971042      4.066989      7.148709
  Mo     -2.222309      2.375023      6.376844
  N      -2.238439      0.895245      7.674022
  C      -1.262538      0.856354      8.758419
  C      -0.780778      2.270321      9.061925
  N      -0.553467      2.998875      7.790436
  C      -0.686412      4.464935      7.934590
  C      -2.153338      4.829821      8.086653
  C       0.721230      2.603849      7.147151
  C       0.642976      2.848132      5.648326
  N      -0.654125      2.419743      5.134868
  H      -2.262721      5.918352      7.911226
  H      -2.497544      4.658558      9.129246
  H      -0.291488      4.916320      7.013989
  H      -0.087363      4.838500      8.785561
  H       1.464963      2.288173      5.167477
  H       0.823011      3.917013      5.409570
  H       0.851587      1.527772      7.325968
  H       1.573022      3.137484      7.606866
  H      -1.705865      0.435869      9.678754
  H      -0.414519      0.192047      8.495536
  H      -1.569297      2.803949      9.609284
  H       0.132543      2.270069      9.684439
  C      -4.357794      4.529870      7.223574
  C      -5.312330      3.712896      6.425643
  C      -6.202508      4.228320      5.559567
  C      -7.030407      3.424563      4.663085
  N      -6.533456      2.254348      4.247544
  C      -7.230055      1.574271      3.302454
  N      -8.367856      1.927427      2.731711
  C      -8.935465      3.083413      3.189757
  C     -10.195933      3.482330      2.681740
  C     -10.805126      4.627745      3.154480
  C     -10.179936      5.418727      4.146005
  C      -8.944963      5.058828      4.649537
  C      -8.295824      3.891090      4.181035
  C      -0.611695      2.037391      3.709722
  C      -0.294051      0.572796      3.660774
  C      -1.089692     -0.467837      3.300382
  C      -2.400464     -0.435895      2.674592
  N      -2.802610      0.685966      2.045859
  C      -4.014462      0.675234      1.451413
  N      -4.871742     -0.327066      1.359152
  C      -4.499631     -1.486715      1.987962
  C      -5.377225     -2.595470      1.941049
  C      -5.054102     -3.770651      2.592794
  C      -3.851583     -3.870603      3.324568
  C      -2.975024     -2.801715      3.381460
  C      -3.262224     -1.593965      2.700327
  C      -3.223042     -0.194256      7.699863
  C      -4.322425      0.185722      8.645819
  C      -5.654296      0.224376      8.423324
  C      -6.353925     -0.254193      7.235553
  N      -5.785658     -1.217595      6.501484
  C      -6.473055     -1.676621      5.429619
  N      -7.687296     -1.332980      5.037099
  C      -8.284517     -0.332739      5.752759
  C      -9.560313      0.131594      5.348206
  C     -10.150153      1.194694      5.998714
  C      -9.492786      1.829508      7.077865
  C      -8.259885      1.381375      7.507664
  C      -7.633658      0.283603      6.867492
  H      -4.426062      5.592818      6.916229
  H      -4.675137      4.497831      8.291360
  H      -5.278253      2.631560      6.581668
  H      -6.280006      5.315050      5.458396
  H      -6.775909      0.638894      2.964158
  H     -10.663358      2.852359      1.923585
  H     -11.779799      4.926490      2.764495
  H     -10.679126      6.316363      4.514417
  H      -8.474085      5.662189      5.426829
  H       0.166882      2.628516      3.192269
  H      -1.560418      2.259524      3.213419
  H       0.668084      0.309932      4.114861
  H      -0.704219     -1.466409      3.515541
  H      -4.313577      1.618060      0.980572
  H      -6.311914     -2.481144      1.390550
  H      -5.739176     -4.619512      2.558005
  H      -3.616613     -4.794526      3.855475
  H      -2.061253     -2.891682      3.968655
  H      -2.740549     -1.138318      8.022094
  H      -3.616186     -0.364295      6.692810
  H      -3.974693      0.584753      9.605474
  H      -6.279657      0.673719      9.197576
  H      -5.959055     -2.435746      4.831810
  H     -10.028791     -0.349240      4.488950
  H     -11.119991      1.567555      5.665018
  H      -9.960477      2.686594      7.564925
  H      -7.753978      1.894534      8.325703
  N      -3.487309      1.853622      4.939724
  H      -3.150268      1.519735      4.032416
  H      -4.511639      1.923153      4.861766
92
Coordinates from ORCA-job orca E -6200.700415074682
  N      -2.993379      4.050918      7.164267
  Mo     -2.237352      2.369691      6.379127
  N      -2.234678      0.883013      7.666911
  C      -1.246479      0.841578      8.740872
  C      -0.771538      2.255524      9.052635
  N      -0.561542      2.996619      7.785251
  C      -0.707889      4.460017      7.943810
  C      -2.177294      4.809034      8.108035
  C       0.711015      2.620190      7.126520
  C       0.614787      2.879175      5.631239
  N      -0.681206      2.436081      5.126466
  H      -2.298152      5.898512      7.947126
  H      -2.514573      4.620692      9.149850
  H      -0.323097      4.923441      7.024926
  H      -0.107425      4.831734      8.794590
  H       1.439848      2.336959      5.135706
  H       0.775218      3.953342      5.402818
  H       0.852483      1.543382      7.292206
  H       1.562458      3.156673      7.583629
  H      -1.677314      0.408310      9.661136
  H      -0.396581      0.186219      8.462335
  H      -1.558603      2.779514      9.611215
  H       0.147888      2.256446      9.666056
  C      -4.382811      4.506851      7.249836
  C      -5.341268      3.694827      6.451124
  C      -6.205898      4.218676      5.564199
  C      -7.039458      3.425068      4.664249
  N      -6.564817      2.238836      4.268548
  C      -7.264821      1.565009      3.321421
  N      -8.385570      1.938748      2.730429
  C      -8.931089      3.113447      3.167290
  C     -10.174430      3.536797      2.636920
  C     -10.762263      4.702129      3.087510
  C     -10.132260      5.489078      4.079215
  C      -8.913972      5.104757      4.605173
  C      -8.286559      3.916441      4.159160
  C      -0.648006      2.065766      3.697569
  C      -0.308608      0.606864      3.633556
  C      -1.094020     -0.442559      3.277868
  C      -2.413382     -0.423886      2.668778
  N      -2.832976      0.692831      2.042631
  C      -4.049777      0.667109      1.457860
  N      -4.895488     -0.345531      1.372506
  C      -4.505313     -1.499314      2.001390
  C      -5.369457     -2.618982      1.962555
  C      -5.027705     -3.788772      2.614395
  C      -3.819519     -3.872447      3.339236
  C      -2.955744     -2.792780      3.387674
  C      -3.262133     -1.590592      2.705299
  C      -3.215169     -0.210182      7.700403
  C      -4.307005      0.163656      8.657940
  C      -5.640968      0.193609      8.448273
  C      -6.345154     -0.291406      7.265096
  N      -5.786399     -1.269596      6.543502
  C      -6.477548     -1.731151      5.474633
  N      -7.684376     -1.372977      5.072414
  C      -8.270259     -0.357217      5.775221
  C      -9.534611      0.125953      5.356625
  C     -10.110239      1.204953      5.993302
  C      -9.451846      1.835501      7.074537
  C      -8.230712      1.369413      7.518217
  C      -7.617009      0.258170      6.888947
  H      -4.455804      5.571645      6.950097
  H      -4.692711      4.466295      8.319190
  H      -5.332795      2.614221      6.621373
  H      -6.257148      5.305867      5.451098
  H      -6.829231      0.614966      3.000205
  H     -10.646148      2.909432      1.879194
  H     -11.723635      5.019735      2.679741
  H     -10.614418      6.402869      4.430257
  H      -8.440328      5.705803      5.382615
  H       0.116751      2.672710      3.177906
  H      -1.604867      2.277982      3.212923
  H       0.664076      0.356279      4.072060
  H      -0.691001     -1.436709      3.481531
  H      -4.363231      1.605815      0.988053
  H      -6.309165     -2.517632      1.417983
  H      -5.702461     -4.646128      2.585313
  H      -3.570026     -4.792192      3.870799
  H      -2.037424     -2.869541      3.969777
  H      -2.725642     -1.152979      8.015283
  H      -3.616725     -0.379550      6.696411
  H      -3.951625      0.565644      9.613593
  H      -6.263153      0.640026      9.226934
  H      -5.973872     -2.505972      4.888356
  H     -10.004885     -0.353390      4.497462
  H     -11.070501      1.592363      5.648482
  H      -9.909261      2.703772      7.551534
  H      -7.723023      1.878851      8.337407
  N      -3.517675      1.834238      4.961003
  H      -3.193137      1.508392      4.046406
  H      -4.544509      1.886591      4.905042
92
Coordinates from ORCA-job orca E -6200.700494447881
  N      -3.012130      4.043564      7.179702
  Mo     -2.250735      2.369705      6.384186
  N      -2.227887      0.873449      7.662237
  C      -1.226982      0.828162      8.723721
  C      -0.761203      2.243561      9.045808
  N      -0.568312      2.997157      7.783649
  C      -0.726097      4.458510      7.955111
  C      -2.197299      4.795701      8.129548
  C       0.701780      2.636185      7.112119
  C       0.591035      2.907284      5.620432
  N      -0.703229      2.450719      5.123633
  H      -2.326638      5.886064      7.981990
  H      -2.528743      4.592681      9.170462
  H      -0.349346      4.932404      7.038331
  H      -0.124295      4.827582      8.806077
  H       1.419386      2.380964      5.113514
  H       0.734130      3.985564      5.400239
  H       0.851352      1.558700      7.266217
  H       1.553342      3.173985      7.567383
  H      -1.643475      0.381100      9.644024
  H      -0.375289      0.182566      8.428293
  H      -1.546891      2.757243      9.615613
  H       0.163953      2.245989      9.650464
  C      -4.403853      4.494286      7.272107
  C      -5.363205      3.687498      6.468553
  C      -6.204366      4.215168      5.561333
  C      -7.040662      3.426192      4.660287
  N      -6.583895      2.224841      4.288994
  C      -7.282734      1.551674      3.340845
  N      -8.384989      1.939856      2.725150
  C      -8.913389      3.131808      3.136070
  C     -10.138646      3.572726      2.578574
  C     -10.710351      4.755796      3.003055
  C     -10.081720      5.543126      3.995162
  C      -8.880802      5.141420      4.547715
  C      -8.269922      3.934807      4.128658
  C      -0.679383      2.088198      3.692505
  C      -0.329648      0.632530      3.614931
  C      -1.109883     -0.419892      3.257506
  C      -2.434754     -0.405476      2.659829
  N      -2.866145      0.712196      2.043246
  C      -4.089483      0.682535      1.471828
  N      -4.932228     -0.333008      1.394109
  C      -4.530782     -1.486114      2.017000
  C      -5.392681     -2.607850      1.989982
  C      -5.039251     -3.776854      2.636726
  C      -3.820815     -3.858045      3.344617
  C      -2.959096     -2.776272      3.381538
  C      -3.278355     -1.574674      2.704321
  C      -3.204926     -0.222598      7.701915
  C      -4.287292      0.143206      8.673326
  C      -5.623441      0.158878      8.477890
  C      -6.332130     -0.336694      7.301194
  N      -5.779905     -1.326789      6.590954
  C      -6.475323     -1.794984      5.527296
  N      -7.676220     -1.427591      5.116808
  C      -8.253762     -0.398443      5.806866
  C      -9.508184      0.098242      5.374523
  C     -10.073078      1.190832      5.997366
  C      -9.416435      1.818894      7.081064
  C      -8.205472      1.339838      7.538315
  C      -7.599647      0.218517      6.919050
  H      -4.479745      5.560923      6.979691
  H      -4.710242      4.445724      8.341895
  H      -5.381459      2.609104      6.651050
  H      -6.233717      5.301712      5.434876
  H      -6.862736      0.587345      3.041582
  H     -10.609906      2.944509      1.821291
  H     -11.657853      5.086986      2.574239
  H     -10.551049      6.471137      4.325615
  H      -8.409033      5.743950      5.325140
  H       0.076779      2.703419      3.170098
  H      -1.642179      2.297031      3.218116
  H       0.649247      0.386503      4.042078
  H      -0.697097     -1.412295      3.450079
  H      -4.412062      1.621283      1.008392
  H      -6.340119     -2.508911      1.458540
  H      -5.712188     -4.635863      2.616595
  H      -3.561553     -4.777286      3.872303
  H      -2.032846     -2.851032      3.951364
  H      -2.709335     -1.165686      8.006150
  H      -3.617264     -0.387917      6.701557
  H      -3.924150      0.549094      9.624333
  H      -6.243231      0.599769      9.261672
  H      -5.980814     -2.584815      4.953569
  H      -9.978893     -0.381448      4.515814
  H     -11.024882      1.589068      5.641607
  H      -9.867320      2.695471      7.549008
  H      -7.699090      1.846281      8.360084
  N      -3.526639      1.823103      4.966552
  H      -3.202470      1.505091      4.049000
  H      -4.553345      1.874697      4.914005
92
Coordinates from ORCA-job orca E -6200.700535358024
  N      -3.019921      4.038121      7.187779
  Mo     -2.256272      2.365281      6.392410
  N      -2.224327      0.872687      7.675988
  C      -1.217408      0.832136      8.731761
  C      -0.754505      2.248098      9.048481
  N      -0.569822      3.001033      7.784213
  C      -0.733156      4.461858      7.955299
  C      -2.204724      4.792538      8.135375
  C       0.697381      2.645418      7.104340
  C       0.577349      2.917036      5.613250
  N      -0.716579      2.454120      5.122195
  H      -2.339632      5.882517      7.990035
  H      -2.530861      4.586701      9.177482
  H      -0.362028      4.936327      7.036545
  H      -0.129529      4.834678      8.803369
  H       1.406068      2.395359      5.101918
  H       0.714299      3.996152      5.392912
  H       0.851587      1.568302      7.256297
  H       1.549914      3.185581      7.554950
  H      -1.626494      0.383832      9.654851
  H      -0.364980      0.189791      8.431579
  H      -1.539631      2.760364      9.620300
  H       0.173250      2.254584      9.649187
  C      -4.413018      4.486486      7.283608
  C      -5.373938      3.680014      6.481179
  C      -6.200940      4.208376      5.561459
  C      -7.043087      3.420502      4.664769
  N      -6.602104      2.207503      4.312631
  C      -7.305948      1.531776      3.370234
  N      -8.397572      1.928646      2.740926
  C      -8.909280      3.134886      3.130597
  C     -10.121245      3.589245      2.555137
  C     -10.675681      4.788159      2.957303
  C     -10.042136      5.578636      3.943787
  C      -8.853397      5.164203      4.512982
  C      -8.260148      3.941096      4.116940
  C      -0.699257      2.098985      3.689161
  C      -0.344369      0.645273      3.598255
  C      -1.122146     -0.407242      3.235837
  C      -2.451156     -0.392178      2.647342
  N      -2.887298      0.728284      2.039061
  C      -4.114127      0.699236      1.474532
  N      -4.955779     -0.317167      1.396721
  C      -4.550372     -1.471964      2.013602
  C      -5.412566     -2.593553      1.988644
  C      -5.055080     -3.764576      2.629189
  C      -3.831891     -3.848273      3.328401
  C      -2.969623     -2.766845      3.363337
  C      -3.293377     -1.562575      2.692419
  C      -3.198157     -0.225875      7.722978
  C      -4.279883      0.136890      8.696109
  C      -5.616266      0.140973      8.502397
  C      -6.321752     -0.364709      7.327658
  N      -5.769234     -1.362823      6.629488
  C      -6.460599     -1.837581      5.565635
  N      -7.654829     -1.464972      5.141279
  C      -8.231473     -0.426507      5.818167
  C      -9.477893      0.075924      5.369831
  C     -10.041373      1.176398      5.980075
  C      -9.392418      1.805656      7.067577
  C      -8.189560      1.321149      7.540273
  C      -7.584595      0.192728      6.933197
  H      -4.490117      5.553258      6.991953
  H      -4.716501      4.436709      8.353972
  H      -5.406573      2.604302      6.676666
  H      -6.214702      5.293805      5.423717
  H      -6.899399      0.557097      3.087293
  H     -10.596541      2.958625      1.802425
  H     -11.613258      5.129697      2.515066
  H     -10.497955      6.519421      4.256466
  H      -8.377932      5.770227      5.285368
  H       0.051857      2.719861      3.165953
  H      -1.665657      2.308027      3.221992
  H       0.637341      0.399035      4.018718
  H      -0.705098     -1.399629      3.418705
  H      -4.439606      1.638587      1.014501
  H      -6.363437     -2.492984      1.463723
  H      -5.728081     -4.623556      2.610834
  H      -3.569113     -4.769209      3.851358
  H      -2.039971     -2.844502      3.926873
  H      -2.698337     -1.166364      8.028294
  H      -3.612484     -0.395819      6.724554
  H      -3.917765      0.551084      9.643767
  H      -6.238859      0.580799      9.284533
  H      -5.967119     -2.636889      5.004037
  H      -9.943470     -0.405687      4.509442
  H     -10.986163      1.579635      5.611658
  H      -9.842828      2.687290      7.526271
  H      -7.689139      1.828040      8.365464
  N      -3.545727      1.805499      4.993778
  H      -3.231874      1.491094      4.071820
  H      -4.573521      1.849411      4.957820
92
Coordinates from ORCA-job orca E -6200.700571146714
  N      -3.021475      4.036590      7.186190
  Mo     -2.260166      2.359795      6.395672
  N      -2.224080      0.868768      7.679837
  C      -1.216862      0.829982      8.735384
  C      -0.754815      2.246921      9.050061
  N      -0.572294      2.998804      7.784919
  C      -0.735072      4.459337      7.954878
  C      -2.206557      4.790186      8.134746
  C       0.693108      2.642135      7.102066
  C       0.571456      2.915416      5.611341
  N      -0.724700      2.457156      5.121587
  H      -2.341153      5.880292      7.990154
  H      -2.533422      4.583942      9.176639
  H      -0.364170      4.932913      7.035535
  H      -0.130979      4.832926      8.802289
  H       1.397879      2.391416      5.098532
  H       0.712348      3.994113      5.391096
  H       0.846017      1.564559      7.252323
  H       1.547592      3.180188      7.551620
  H      -1.624924      0.382236      9.659232
  H      -0.363954      0.188264      8.435325
  H      -1.540487      2.758621      9.621802
  H       0.173176      2.255268      9.650450
  C      -4.413852      4.487467      7.282647
  C      -5.376869      3.682876      6.481581
  C      -6.201908      4.213173      5.561370
  C      -7.045073      3.425332      4.665312
  N      -6.607985      2.208825      4.319965
  C      -7.310339      1.532944      3.376920
  N      -8.395565      1.933674      2.738776
  C      -8.903151      3.144126      3.120552
  C     -10.107836      3.603886      2.534081
  C     -10.658288      4.807183      2.928317
  C     -10.027611      5.597158      3.917156
  C      -8.845694      5.177783      4.496664
  C      -8.256600      3.949827      4.109169
  C      -0.713448      2.109916      3.686702
  C      -0.351200      0.658645      3.589948
  C      -1.125120     -0.396463      3.226602
  C      -2.457888     -0.386303      2.646191
  N      -2.905079      0.734657      2.046749
  C      -4.135255      0.700777      1.489688
  N      -4.970592     -0.320704      1.411411
  C      -4.553688     -1.476588      2.018289
  C      -5.408129     -2.604129      1.990836
  C      -5.037851     -3.777087      2.620349
  C      -3.809538     -3.856834      3.311027
  C      -2.955018     -2.769379      3.348843
  C      -3.291768     -1.562848      2.688596
  C      -3.197289     -0.230423      7.727465
  C      -4.276750      0.130481      8.703479
  C      -5.613132      0.133644      8.511252
  C      -6.319756     -0.370015      7.336643
  N      -5.767574     -1.366555      6.636337
  C      -6.461394     -1.842089      5.574398
  N      -7.657492     -1.471412      5.154034
  C      -8.233717     -0.433596      5.832868
  C      -9.481953      0.067181      5.387978
  C     -10.043792      1.168910      5.997843
  C      -9.391014      1.800748      7.081344
  C      -8.186605      1.317044      7.551344
  C      -7.583768      0.187209      6.945095
  H      -4.488304      5.554288      6.990552
  H      -4.716483      4.438653      8.353175
  H      -5.412265      2.607615      6.679025
  H      -6.211533      5.298385      5.421779
  H      -6.907982      0.554567      3.100494
  H     -10.580936      2.973837      1.779460
  H     -11.590406      5.152894      2.477750
  H     -10.480323      6.541640      4.223279
  H      -8.372239      5.783950      5.270223
  H       0.031383      2.736755      3.161510
  H      -1.683104      2.316100      3.225337
  H       0.633134      0.415542      4.006135
  H      -0.702088     -1.387547      3.402520
  H      -4.470554      1.640822      1.038064
  H      -6.363146     -2.506655      1.472876
  H      -5.704877     -4.640733      2.600780
  H      -3.536540     -4.779534      3.825688
  H      -2.021127     -2.843999      3.905695
  H      -2.696772     -1.171546      8.029974
  H      -3.613866     -0.398890      6.729241
  H      -3.913504      0.544995      9.650570
  H      -6.235227      0.571524      9.295011
  H      -5.967841     -2.639974      5.010850
  H      -9.950132     -0.416044      4.529875
  H     -10.989647      1.571560      5.631431
  H      -9.839872      2.683399      7.539707
  H      -7.683711      1.826214      8.373757
  N      -3.554977      1.795504      5.003376
  H      -3.246324      1.489174      4.076973
  H      -4.583241      1.832195      4.975650
92
Coordinates from ORCA-job orca E -6200.700617113495
  N      -3.018408      4.041616      7.188326
  Mo     -2.262284      2.358672      6.405383
  N      -2.220055      0.872578      7.694728
  C      -1.212985      0.838994      8.750065
  C      -0.751719      2.258169      9.057526
  N      -0.570473      3.003773      7.789074
  C      -0.730643      4.465149      7.951245
  C      -2.201352      4.799410      8.131342
  C       0.691975      2.640989      7.104697
  C       0.569599      2.907834      5.612862
  N      -0.729405      2.455667      5.126233
  H      -2.334430      5.888919      7.980672
  H      -2.527059      4.600120      9.175015
  H      -0.360603      4.933087      7.028628
  H      -0.124323      4.842595      8.795385
  H       1.392449      2.375425      5.102556
  H       0.718717      3.984137      5.385852
  H       0.842800      1.563702      7.259249
  H       1.549000      3.178561      7.550083
  H      -1.620094      0.395528      9.676373
  H      -0.359565      0.196538      8.452829
  H      -1.538026      2.771629      9.627009
  H       0.176100      2.270441      9.658162
  C      -4.410122      4.496802      7.281371
  C      -5.373614      3.692863      6.479934
  C      -6.200974      4.221349      5.560782
  C      -7.045321      3.429300      4.669232
  N      -6.614274      2.206665      4.337541
  C      -7.318193      1.525310      3.400136
  N      -8.399186      1.925795      2.754310
  C      -8.900002      3.143507      3.120898
  C     -10.097883      3.606101      2.522802
  C     -10.641053      4.817757      2.901049
  C     -10.009746      5.613404      3.884994
  C      -8.834295      5.191458      4.475492
  C      -8.252050      3.955065      4.104126
  C      -0.721121      2.109223      3.691614
  C      -0.362114      0.657312      3.592932
  C      -1.136848     -0.394928      3.223425
  C      -2.468574     -0.379859      2.641186
  N      -2.912957      0.744848      2.046916
  C      -4.142568      0.716394      1.488465
  N      -4.980587     -0.302496      1.406333
  C      -4.567098     -1.462227      2.007942
  C      -5.425529     -2.586685      1.976503
  C      -5.057743     -3.763929      2.599333
  C      -3.827687     -3.851508      3.285877
  C      -2.969418     -2.767215      3.328043
  C      -3.304455     -1.555450      2.676326
  C      -3.190302     -0.229134      7.743168
  C      -4.273014      0.130532      8.715870
  C      -5.608821      0.126927      8.519475
  C      -6.311664     -0.382256      7.345164
  N      -5.753495     -1.375415      6.645049
  C      -6.444814     -1.856581      5.583837
  N      -7.643881     -1.494689      5.164590
  C      -8.226411     -0.459629      5.842972
  C      -9.478187      0.032234      5.398602
  C     -10.045619      1.132863      6.005888
  C      -9.394278      1.772195      7.085584
  C      -8.186497      1.296299      7.555561
  C      -7.578820      0.167547      6.952844
  H      -4.480404      5.563346      6.987230
  H      -4.714641      4.450361      8.351402
  H      -5.407984      2.618910      6.678584
  H      -6.211135      5.306102      5.418887
  H      -6.922824      0.540752      3.136565
  H     -10.571533      2.971845      1.772059
  H     -11.567877      5.166003      2.441553
  H     -10.457102      6.564433      4.178544
  H      -8.360298      5.802511      5.244844
  H       0.024186      2.734625      3.164875
  H      -1.691027      2.317817      3.231700
  H       0.619473      0.409774      4.012800
  H      -0.717655     -1.387957      3.397504
  H      -4.475175      1.658934      1.039899
  H      -6.381260     -2.483260      1.461048
  H      -5.727593     -4.625344      2.577396
  H      -3.555904     -4.778089      3.794258
  H      -2.033814     -2.848465      3.881113
  H      -2.688025     -1.168440      8.048812
  H      -3.604729     -0.401387      6.744625
  H      -3.914299      0.550246      9.662377
  H      -6.234867      0.564525      9.300427
  H      -5.945220     -2.650541      5.019948
  H      -9.944801     -0.456220      4.542595
  H     -10.994212      1.529076      5.639541
  H      -9.846700      2.654324      7.541466
  H      -7.684950      1.812026      8.374833
  N      -3.555289      1.787706      5.013448
  H      -3.246248      1.487306      4.085143
  H      -4.583714      1.819363      4.987322
92
Coordinates from ORCA-job orca E -6200.700530452205
  N      -3.023076      4.036332      7.198532
  Mo     -2.269283      2.352294      6.416084
  N      -2.208917      0.864969      7.703004
  C      -1.198883      0.834655      8.755185
  C      -0.742075      2.255619      9.060135
  N      -0.570322      3.001501      7.790996
  C      -0.733227      4.462335      7.954691
  C      -2.204410      4.793614      8.140770
  C       0.687118      2.641149      7.096209
  C       0.556066      2.913188      5.605591
  N      -0.747462      2.467964      5.124780
  H      -2.339897      5.883199      7.992688
  H      -2.526367      4.592097      9.185240
  H      -0.368296      4.931740      7.030760
  H      -0.123939      4.840960      8.796198
  H       1.374217      2.378799      5.089515
  H       0.709267      3.989307      5.379817
  H       0.839391      1.563353      7.245805
  H       1.547622      3.176873      7.537374
  H      -1.600970      0.389631      9.682976
  H      -0.343669      0.195709      8.455192
  H      -1.528778      2.765366      9.632578
  H       0.187894      2.272562      9.657381
  C      -4.414420      4.493894      7.289694
  C      -5.377018      3.692525      6.485177
  C      -6.202091      4.221936      5.564329
  C      -7.045777      3.427222      4.674526
  N      -6.630030      2.191390      4.371989
  C      -7.333499      1.502706      3.440333
  N      -8.398503      1.908054      2.770924
  C      -8.882498      3.141887      3.104156
  C     -10.060168      3.614843      2.474684
  C     -10.585281      4.845032      2.816803
  C      -9.955959      5.648890      3.795379
  C      -8.800244      5.216701      4.416529
  C      -8.235420      3.961610      4.081738
  C      -0.752953      2.136523      3.687191
  C      -0.389440      0.687076      3.572179
  C      -1.165358     -0.365213      3.205396
  C      -2.509469     -0.351127      2.651906
  N      -2.974497      0.778436      2.083347
  C      -4.219116      0.751990      1.558921
  N      -5.056530     -0.268300      1.491194
  C      -4.622732     -1.433152      2.067815
  C      -5.480177     -2.558748      2.051832
  C      -5.090410     -3.741935      2.649487
  C      -3.838403     -3.834601      3.294505
  C      -2.981389     -2.748869      3.322402
  C      -3.339725     -1.530409      2.696143
  C      -3.169586     -0.245311      7.747447
  C      -4.255694      0.101030      8.720917
  C      -5.590486      0.089823      8.518920
  C      -6.285174     -0.411482      7.336861
  N      -5.717362     -1.392254      6.627328
  C      -6.401766     -1.866521      5.558310
  N      -7.602495     -1.509502      5.140018
  C      -8.194558     -0.485465      5.827611
  C      -9.447795      0.002701      5.383939
  C     -10.022888      1.095755      5.998318
  C      -9.377846      1.729726      7.084696
  C      -8.169306      1.255436      7.555126
  C      -7.554198      0.134907      6.945329
  H      -4.481453      5.561336      6.997977
  H      -4.721037      4.444701      8.358913
  H      -5.413002      2.618543      6.684768
  H      -6.208596      5.306159      5.419182
  H      -6.952450      0.505884      3.202426
  H     -10.532649      2.974232      1.728577
  H     -11.496233      5.201924      2.332758
  H     -10.389530      6.614584      4.060531
  H      -8.328011      5.835214      5.180986
  H      -0.016888      2.769923      3.156816
  H      -1.728698      2.345042      3.239945
  H       0.598307      0.439412      3.977381
  H      -0.739816     -1.358234      3.363159
  H      -4.567254      1.698206      1.130212
  H      -6.452131     -2.451441      1.568500
  H      -5.759219     -4.604424      2.640532
  H      -3.548187     -4.766392      3.782916
  H      -2.028198     -2.834192      3.843991
  H      -2.659861     -1.182171      8.048451
  H      -3.582930     -0.416849      6.747837
  H      -3.902496      0.517446      9.670951
  H      -6.222999      0.516788      9.300739
  H      -5.894165     -2.650264      4.987336
  H      -9.909222     -0.480956      4.522361
  H     -10.972540      1.489849      5.632337
  H      -9.835573      2.606262      7.546169
  H      -7.673081      1.767729      8.379837
  N      -3.567596      1.768414      5.033701
  H      -3.265590      1.482772      4.098488
  H      -4.596264      1.793653      5.017581
92
Coordinates from ORCA-job orca E -6200.700660913700
  N      -3.028506      4.045910      7.217337
  Mo     -2.280880      2.363129      6.431100
  N      -2.211922      0.879887      7.725904
  C      -1.197453      0.851571      8.773126
  C      -0.736533      2.270911      9.068125
  N      -0.570509      3.010240      7.794904
  C      -0.731943      4.472951      7.955000
  C      -2.202232      4.807098      8.149802
  C       0.681775      2.647191      7.093232
  C       0.541986      2.914000      5.601896
  N      -0.764029      2.469321      5.128599
  H      -2.337260      5.896093      7.996414
  H      -2.516184      4.611926      9.197714
  H      -0.372836      4.939610      7.027468
  H      -0.116986      4.853967      8.791334
  H       1.356832      2.375439      5.084663
  H       0.696105      3.988865      5.370681
  H       0.836359      1.570403      7.246692
  H       1.544511      3.185770      7.526613
  H      -1.596733      0.412403      9.704869
  H      -0.344850      0.208756      8.473012
  H      -1.519277      2.784827      9.642071
  H       0.196491      2.289242      9.660453
  C      -4.418956      4.508646      7.299031
  C      -5.376918      3.708924      6.485889
  C      -6.203282      4.237787      5.564980
  C      -7.044763      3.442846      4.674154
  N      -6.645065      2.196571      4.392999
  C      -7.353483      1.502895      3.468909
  N      -8.411353      1.910576      2.789480
  C      -8.877123      3.157711      3.097026
  C     -10.041251      3.638871      2.448954
  C     -10.543717      4.887218      2.758393
  C      -9.906257      5.699763      3.724189
  C      -8.764560      5.258515      4.364850
  C      -8.220600      3.986116      4.061429
  C      -0.769604      2.130456      3.692988
  C      -0.404349      0.680725      3.574974
  C      -1.170792     -0.373113      3.193130
  C      -2.505785     -0.364062      2.618628
  N      -2.969487      0.766962      2.052687
  C      -4.206834      0.738832      1.511632
  N      -5.038824     -0.284612      1.426369
  C      -4.607269     -1.451127      2.001443
  C      -5.461814     -2.578419      1.971001
  C      -5.075632     -3.763877      2.566971
  C      -3.829760     -3.857230      3.223526
  C      -2.975641     -2.769629      3.266018
  C      -3.330988     -1.547684      2.644178
  C      -3.166801     -0.235123      7.775113
  C      -4.253483      0.107565      8.750049
  C      -5.589549      0.087562      8.552921
  C      -6.287616     -0.421824      7.376327
  N      -5.714947     -1.394772      6.659347
  C      -6.400919     -1.871441      5.592112
  N      -7.609088     -1.526829      5.184090
  C      -8.207147     -0.512033      5.879647
  C      -9.470052     -0.037857      5.448949
  C     -10.054681      1.043540      6.074916
  C      -9.409765      1.678935      7.160774
  C      -8.191420      1.217615      7.618771
  C      -7.566183      0.109869      6.996394
  H      -4.481438      5.577000      7.009242
  H      -4.734456      4.457073      8.365858
  H      -5.408303      2.633644      6.681776
  H      -6.213433      5.322087      5.422227
  H      -6.983521      0.498678      3.246445
  H     -10.520424      2.991165      1.713424
  H     -11.443202      5.251577      2.258892
  H     -10.322805      6.679248      3.964649
  H      -8.287149      5.884068      5.120093
  H      -0.033392      2.763383      3.162113
  H      -1.745495      2.337201      3.244489
  H       0.580302      0.433960      3.988124
  H      -0.742957     -1.364834      3.352584
  H      -4.551659      1.685595      1.081886
  H      -6.428802     -2.470482      1.478072
  H      -5.741980     -4.627978      2.546291
  H      -3.541911     -4.791378      3.708679
  H      -2.027663     -2.856660      3.796757
  H      -2.650493     -1.167303      8.078788
  H      -3.581006     -0.413803      6.778044
  H      -3.899800      0.525349      9.699247
  H      -6.221602      0.512682      9.335950
  H      -5.888750     -2.647421      5.014702
  H      -9.932215     -0.522692      4.588462
  H     -11.013390      1.425543      5.720124
  H      -9.874636      2.546894      7.631069
  H      -7.695168      1.731159      8.442390
  N      -3.581296      1.767843      5.056279
  H      -3.279586      1.476011      4.123094
  H      -4.609549      1.807579      5.036261
92
Coordinates from ORCA-job orca E -6200.700565168334
  N      -3.025366      4.057494      7.215407
  Mo     -2.288082      2.365590      6.437570
  N      -2.215133      0.880526      7.727113
  C      -1.196963      0.848944      8.771281
  C      -0.730435      2.270102      9.066316
  N      -0.570328      3.007752      7.791827
  C      -0.725315      4.470879      7.951437
  C      -2.193942      4.811701      8.149640
  C       0.678483      2.638489      7.087134
  C       0.532539      2.909731      5.597891
  N      -0.778741      2.468371      5.132695
  H      -2.323432      5.901529      7.998767
  H      -2.508858      4.615111      9.196950
  H      -0.366545      4.935997      7.023042
  H      -0.106981      4.848538      8.786646
  H       1.343111      2.372579      5.073389
  H       0.684787      3.985398      5.370222
  H       0.826216      1.560159      7.237684
  H       1.546090      3.170844      7.518460
  H      -1.595181      0.411262      9.704202
  H      -0.348311      0.202331      8.468407
  H      -1.507496      2.787010      9.645354
  H       0.206732      2.285751      9.652018
  C      -4.411196      4.529166      7.306936
  C      -5.382420      3.733546      6.508176
  C      -6.210702      4.266395      5.591554
  C      -7.062164      3.476173      4.706867
  N      -6.662637      2.232191      4.414736
  C      -7.373912      1.544742      3.488350
  N      -8.436041      1.955916      2.818477
  C      -8.903040      3.199777      3.138980
  C     -10.075978      3.680340      2.506354
  C     -10.583324      4.922378      2.832434
  C      -9.941575      5.729501      3.799881
  C      -8.791865      5.288534      4.426230
  C      -8.243902      4.021784      4.106842
  C      -0.800250      2.128039      3.697090
  C      -0.423494      0.681386      3.588128
  C      -1.184143     -0.380525      3.217128
  C      -2.519680     -0.385959      2.642283
  N      -2.998170      0.739200      2.076483
  C      -4.231949      0.693445      1.528678
  N      -5.046232     -0.343099      1.433792
  C      -4.596528     -1.505803      2.002876
  C      -5.426106     -2.650989      1.952968
  C      -5.019859     -3.833879      2.540620
  C      -3.779262     -3.906569      3.210125
  C      -2.949694     -2.800999      3.271062
  C      -3.324634     -1.582512      2.655907
  C      -3.173926     -0.231343      7.780823
  C      -4.263000      0.130159      8.745462
  C      -5.596839      0.118230      8.537038
  C      -6.283172     -0.413492      7.363951
  N      -5.713006     -1.418523      6.690044
  C      -6.392185     -1.926385      5.633893
  N      -7.591705     -1.584280      5.199636
  C      -8.186016     -0.537276      5.849151
  C      -9.435826     -0.062208      5.382063
  C     -10.010910      1.053641      5.953654
  C      -9.369524      1.724749      7.019933
  C      -8.164649      1.264668      7.513353
  C      -7.548733      0.121911      6.946586
  H      -4.468774      5.595946      7.011151
  H      -4.717386      4.487381      8.376805
  H      -5.423635      2.658285      6.706530
  H      -6.214666      5.350518      5.446565
  H      -7.004427      0.541386      3.257591
  H     -10.558294      3.036481      1.769346
  H     -11.489523      5.285923      2.344383
  H     -10.360904      6.704652      4.053196
  H      -8.311727      5.909927      5.183317
  H      -0.075813      2.764887      3.155469
  H      -1.782308      2.324360      3.258649
  H       0.567523      0.447333      3.993853
  H      -0.743728     -1.367164      3.374494
  H      -4.593589      1.639008      1.109779
  H      -6.390724     -2.559036      1.452034
  H      -5.667778     -4.711505      2.505301
  H      -3.476456     -4.838723      3.690063
  H      -2.005164     -2.870292      3.810934
  H      -2.663986     -1.163858      8.094416
  H      -3.584964     -0.415009      6.781843
  H      -3.912419      0.561490      9.689989
  H      -6.233556      0.563373      9.305063
  H      -5.882999     -2.727996      5.090450
  H      -9.894193     -0.575550      4.536077
  H     -10.959094      1.434802      5.570277
  H      -9.827164      2.618475      7.447512
  H      -7.671135      1.804838      8.321482
  N      -3.586483      1.765168      5.060664
  H      -3.286122      1.464145      4.129053
  H      -4.614723      1.796202      5.041974
92
Coordinates from ORCA-job orca E -6200.700473533610
  N      -2.996581      4.069709      7.200744
  Mo     -2.258182      2.375931      6.431263
  N      -2.210907      0.906492      7.742356
  C      -1.201411      0.883379      8.795706
  C      -0.724996      2.301604      9.073716
  N      -0.548537      3.023197      7.790432
  C      -0.697783      4.488628      7.933652
  C      -2.164704      4.835266      8.124172
  C       0.704476      2.642181      7.098968
  C       0.569784      2.894182      5.605124
  N      -0.738210      2.451020      5.133700
  H      -2.291123      5.923177      7.957939
  H      -2.480669      4.653657      9.173750
  H      -0.334196      4.942225      7.001492
  H      -0.081452      4.873580      8.767015
  H       1.382642      2.349010      5.092523
  H       0.726137      3.966983      5.367374
  H       0.849359      1.566012      7.265814
  H       1.569181      3.179598      7.529445
  H      -1.610671      0.460720      9.730821
  H      -0.355073      0.227012      8.508270
  H      -1.502055      2.832185      9.640094
  H       0.208057      2.317143      9.665990
  C      -4.382077      4.542962      7.282884
  C      -5.349550      3.741890      6.483877
  C      -6.179050      4.272367      5.567181
  C      -7.026922      3.483223      4.678280
  N      -6.610940      2.251906      4.359407
  C      -7.321461      1.569192      3.428371
  N      -8.401738      1.972048      2.782802
  C      -8.883947      3.202643      3.130287
  C     -10.073299      3.673890      2.522159
  C     -10.594268      4.903288      2.873299
  C      -9.949304      5.707307      3.841128
  C      -8.783127      5.275744      4.442955
  C      -8.222003      4.021631      4.098409
  C      -0.745907      2.099898      3.700349
  C      -0.406891      0.643049      3.597619
  C      -1.197262     -0.398735      3.232225
  C      -2.532674     -0.364914      2.659732
  N      -2.969222      0.772370      2.084891
  C      -4.202092      0.765976      1.533484
  N      -5.051693     -0.242392      1.441306
  C      -4.646059     -1.415685      2.021881
  C      -5.516890     -2.529967      1.977722
  C      -5.158465     -3.721470      2.578788
  C      -3.924263     -3.834534      3.253895
  C      -3.053298     -2.760852      3.306786
  C      -3.379865     -1.533331      2.680157
  C      -3.167890     -0.207156      7.796065
  C      -4.275187      0.157854      8.738426
  C      -5.607217      0.125299      8.517051
  C      -6.277664     -0.442790      7.350891
  N      -5.683819     -1.447740      6.697325
  C      -6.346400     -1.989087      5.647362
  N      -7.550908     -1.680167      5.201075
  C      -8.171539     -0.637427      5.831595
  C      -9.434880     -0.205125      5.358821
  C     -10.044180      0.898258      5.918451
  C      -9.422522      1.602662      6.975079
  C      -8.203270      1.186782      7.471789
  C      -7.554799      0.053862      6.921264
  H      -4.438595      5.607659      6.979832
  H      -4.694562      4.508595      8.351394
  H      -5.382227      2.667479      6.682607
  H      -6.189317      5.356940      5.427102
  H      -6.936635      0.578354      3.174103
  H     -10.557189      3.032804      1.783910
  H     -11.513440      5.259360      2.404635
  H     -10.378758      6.672658      4.113776
  H      -8.300679      5.893897      5.200982
  H       0.001726      2.716367      3.166296
  H      -1.717473      2.318189      3.248388
  H       0.575292      0.383449      4.008878
  H      -0.788027     -1.396930      3.399531
  H      -4.525309      1.718397      1.099299
  H      -6.474974     -2.406813      1.471091
  H      -5.838218     -4.574730      2.547097
  H      -3.658959     -4.773112      3.743189
  H      -2.114331     -2.863048      3.850235
  H      -2.657148     -1.131234      8.131928
  H      -3.561087     -0.407923      6.795087
  H      -3.941393      0.608279      9.679936
  H      -6.256041      0.576148      9.271010
  H      -5.815317     -2.786620      5.117933
  H      -9.878094     -0.743082      4.520212
  H     -11.003770      1.245249      5.531523
  H      -9.907108      2.486942      7.391962
  H      -7.725332      1.751353      8.272618
  N      -3.569161      1.776987      5.068676
  H      -3.271739      1.447789      4.146165
  H      -4.598295      1.804541      5.055439
92
Coordinates from ORCA-job orca E -6200.700625771073
  N      -3.037191      4.040301      7.220336
  Mo     -2.289310      2.365996      6.418601
  N      -2.221490      0.868961      7.698317
  C      -1.203494      0.828364      8.742155
  C      -0.738711      2.243740      9.050686
  N      -0.578066      2.998496      7.784722
  C      -0.741537      4.459049      7.963423
  C      -2.211289      4.789053      8.162962
  C       0.673732      2.648417      7.075276
  C       0.527213      2.934969      5.588534
  N      -0.777218      2.485513      5.114820
  H      -2.346757      5.879809      8.024154
  H      -2.525221      4.578912      9.207880
  H      -0.383477      4.937903      7.041852
  H      -0.127197      4.830197      8.804583
  H       1.343905      2.411196      5.059641
  H       0.669780      4.014592      5.373490
  H       0.830792      1.569979      7.214007
  H       1.536093      3.183598      7.513270
  H      -1.601792      0.379777      9.670004
  H      -0.353714      0.186574      8.432514
  H      -1.517366      2.752741      9.634383
  H       0.197880      2.254351      9.637396
  C      -4.425926      4.506178      7.306035
  C      -5.387544      3.714698      6.489451
  C      -6.204241      4.252807      5.565595
  C      -7.051866      3.468765      4.671524
  N      -6.669242      2.215502      4.398069
  C      -7.384101      1.527308      3.475065
  N      -8.433462      1.946793      2.789659
  C      -8.881896      3.202601      3.088721
  C     -10.037591      3.696043      2.434897
  C     -10.524740      4.952110      2.736944
  C      -9.878717      5.761013      3.700019
  C      -8.744575      5.307863      4.345790
  C      -8.217293      4.026547      4.051173
  C      -0.785852      2.155519      3.676629
  C      -0.393047      0.713996      3.548031
  C      -1.144967     -0.354860      3.179686
  C      -2.491752     -0.372637      2.634019
  N      -2.990465      0.749864      2.080844
  C      -4.238730      0.696770      1.567148
  N      -5.050821     -0.343743      1.496737
  C      -4.583020     -1.501832      2.060530
  C      -5.414348     -2.646688      2.046316
  C      -4.991807     -3.824499      2.632203
  C      -3.731001     -3.892997      3.262680
  C      -2.899036     -2.787872      3.288822
  C      -3.291939     -1.572907      2.675777
  C      -3.174076     -0.249178      7.737109
  C      -4.257854      0.080020      8.719694
  C      -5.595207      0.062455      8.530189
  C      -6.300610     -0.429459      7.349836
  N      -5.732795     -1.391592      6.614298
  C      -6.426958     -1.852251      5.545323
  N      -7.636907     -1.499421      5.149250
  C      -8.230880     -0.497375      5.865970
  C      -9.499545     -0.019696      5.455655
  C     -10.083115      1.046225      6.108194
  C      -9.430926      1.663872      7.199850
  C      -8.206333      1.199739      7.637157
  C      -7.582670      0.105912      6.988556
  H      -4.485428      5.576055      7.021848
  H      -4.741161      4.450912      8.372746
  H      -5.429268      2.639692      6.681751
  H      -6.202561      5.337394      5.424655
  H      -7.026083      0.517549      3.257818
  H     -10.523431      3.050671      1.701694
  H     -11.418153      5.325520      2.233306
  H     -10.281848      6.747647      3.933885
  H      -8.260956      5.931895      5.098309
  H      -0.065066      2.805421      3.145073
  H      -1.768850      2.346677      3.237056
  H       0.603312      0.487424      3.944271
  H      -0.693229     -1.337015      3.331678
  H      -4.611568      1.636604      1.145709
  H      -6.393497     -2.558379      1.573967
  H      -5.640798     -4.701876      2.623702
  H      -3.414413     -4.821429      3.740805
  H      -1.939401     -2.855708      3.800714
  H      -2.653926     -1.182687      8.029137
  H      -3.590267     -0.417798      6.739356
  H      -3.899238      0.485436      9.672409
  H      -6.222452      0.475401      9.323464
  H      -5.920598     -2.621142      4.953182
  H      -9.968136     -0.490499      4.590858
  H     -11.046302      1.431040      5.769133
  H      -9.895840      2.519972      7.691234
  H      -7.705010      1.697822      8.467374
  N      -3.599008      1.775374      5.051541
  H      -3.304552      1.483481      4.116262
  H      -4.627595      1.810031      5.040870
92
Coordinates from ORCA-job orca E -6200.700754502718
  N      -3.021600      4.061007      7.222575
  Mo     -2.285814      2.371406      6.442588
  N      -2.213981      0.888092      7.736949
  C      -1.194850      0.857310      8.779919
  C      -0.724197      2.276137      9.069442
  N      -0.565558      3.012080      7.793062
  C      -0.720289      4.475827      7.952626
  C      -2.188067      4.817057      8.153127
  C       0.681386      2.643471      7.084552
  C       0.531408      2.914425      5.595332
  N      -0.779709      2.471623      5.132147
  H      -2.317497      5.906638      8.000208
  H      -2.500222      4.622521      9.201578
  H      -0.363096      4.940661      7.023560
  H      -0.100774      4.854122      8.786733
  H       1.341563      2.378776      5.068565
  H       0.681508      3.990559      5.368467
  H       0.830410      1.565427      7.235500
  H       1.549471      3.177061      7.513252
  H      -1.593643      0.422982      9.714262
  H      -0.348161      0.207709      8.477835
  H      -1.498607      2.795997      9.649307
  H       0.214649      2.291119      9.652334
  C      -4.406456      4.537400      7.305081
  C      -5.374507      3.741599      6.501430
  C      -6.195537      4.272851      5.577344
  C      -7.044611      3.481048      4.692045
  N      -6.657996      2.227792      4.422947
  C      -7.370410      1.533890      3.502513
  N      -8.423237      1.946211      2.818277
  C      -8.875362      3.201972      3.112225
  C     -10.033873      3.688146      2.457817
  C     -10.524088      4.944653      2.753005
  C      -9.878765      5.760985      3.710223
  C      -8.742663      5.314636      4.357254
  C      -8.211940      4.033005      4.069593
  C      -0.802478      2.137426      3.695061
  C      -0.430275      0.690387      3.570912
  C      -1.195859     -0.367408      3.198271
  C      -2.538054     -0.366144      2.639981
  N      -3.021422      0.766137      2.093066
  C      -4.263327      0.729306      1.563024
  N      -5.082317     -0.303805      1.469951
  C      -4.628372     -1.473179      2.021695
  C      -5.464094     -2.614001      1.975217
  C      -5.054991     -3.803598      2.546938
  C      -3.804303     -3.888079      3.195648
  C      -2.968136     -2.787280      3.252433
  C      -3.346665     -1.560914      2.654161
  C      -3.165157     -0.230718      7.787676
  C      -4.259142      0.118801      8.751278
  C      -5.593517      0.093783      8.544827
  C      -6.278876     -0.438042      7.370761
  N      -5.694275     -1.421351      6.677354
  C      -6.369879     -1.924492      5.616388
  N      -7.577849     -1.597208      5.193528
  C      -8.188624     -0.574150      5.865221
  C      -9.453814     -0.120070      5.419018
  C     -10.051626      0.967860      6.020363
  C      -9.416832      1.632798      7.094408
  C      -8.195884      1.193226      7.566380
  C      -7.558183      0.077236      6.971191
  H      -4.459264      5.603759      7.006788
  H      -4.720021      4.498538      8.373002
  H      -5.417717      2.667782      6.702618
  H      -6.194637      5.356204      5.427616
  H      -7.009535      0.523933      3.289016
  H     -10.518776      3.037141      1.728915
  H     -11.419215      5.312682      2.248321
  H     -10.284226      6.747923      3.939004
  H      -8.260240      5.944495      5.105703
  H      -0.077156      2.776377      3.156609
  H      -1.785332      2.339095      3.260566
  H       0.562960      0.450545      3.967472
  H      -0.756494     -1.355798      3.346758
  H      -4.626149      1.678882      1.154621
  H      -6.435940     -2.513106      1.490339
  H      -5.707618     -4.677763      2.514112
  H      -3.498627     -4.825907      3.662437
  H      -2.015784     -2.867244      3.776492
  H      -2.647148     -1.158121      8.102598
  H      -3.572141     -0.418531      6.788780
  H      -3.912322      0.549110      9.697595
  H      -6.232906      0.527218      9.317159
  H      -5.849270     -2.708233      5.057527
  H      -9.907936     -0.627539      4.567254
  H     -11.012890      1.332409      5.654142
  H      -9.892470      2.505466      7.544937
  H      -7.707844      1.728025      8.381410
  N      -3.594628      1.762347      5.081182
  H      -3.300242      1.454469      4.150215
  H      -4.622984      1.796686      5.068642
92
Coordinates from ORCA-job orca E -6200.700761036765
  N      -3.016102      4.069282      7.221950
  Mo     -2.286313      2.378649      6.438869
  N      -2.217896      0.893042      7.730643
  C      -1.197881      0.858619      8.772979
  C      -0.721647      2.275494      9.063073
  N      -0.562930      3.012759      7.787019
  C      -0.713028      4.476453      7.949632
  C      -2.179284      4.821002      8.152981
  C       0.681956      2.642250      7.075514
  C       0.529649      2.916196      5.587097
  N      -0.783332      2.476531      5.125853
  H      -2.305876      5.911220      8.002613
  H      -2.490678      4.624823      9.201330
  H      -0.355817      4.942142      7.021016
  H      -0.091427      4.851303      8.783715
  H       1.337511      2.380136      5.057339
  H       0.681029      3.992562      5.362276
  H       0.828093      1.563517      7.224326
  H       1.552227      3.172705      7.503579
  H      -1.597421      0.424647      9.707224
  H      -0.353680      0.206512      8.469467
  H      -1.493034      2.797418      9.645133
  H       0.218558      2.286616      9.643855
  C      -4.398745      4.551049      7.307618
  C      -5.372024      3.759637      6.506313
  C      -6.191605      4.295883      5.583904
  C      -7.046212      3.509707      4.698944
  N      -6.663862      2.256493      4.424023
  C      -7.380604      1.568037      3.502889
  N      -8.434846      1.985427      2.824029
  C      -8.882711      3.241237      3.124190
  C     -10.042486      3.732426      2.475810
  C     -10.528596      4.989020      2.777101
  C      -9.877341      5.800750      3.734242
  C      -8.739849      5.349515      4.375346
  C      -8.213671      4.067371      4.081820
  C      -0.809096      2.139189      3.689297
  C      -0.431062      0.693291      3.569131
  C      -1.193858     -0.369694      3.205252
  C      -2.537828     -0.377416      2.651424
  N      -3.025828      0.748666      2.095763
  C      -4.268975      0.703587      1.569363
  N      -5.085054     -0.332738      1.487070
  C      -4.626574     -1.495823      2.048346
  C      -5.459764     -2.638961      2.015162
  C      -5.046480     -3.822079      2.597147
  C      -3.793764     -3.897573      3.243004
  C      -2.960010     -2.794339      3.286877
  C      -3.343056     -1.574435      2.678257
  C      -3.166162     -0.228678      7.775273
  C      -4.266068      0.115181      8.733815
  C      -5.599475      0.083283      8.521783
  C      -6.277098     -0.453414      7.345281
  N      -5.683136     -1.432939      6.654323
  C      -6.351677     -1.942059      5.591840
  N      -7.561028     -1.624490      5.165366
  C      -8.182138     -0.606565      5.835404
  C      -9.450551     -0.163962      5.386642
  C     -10.059062      0.919041      5.986014
  C      -9.431828      1.590834      7.060205
  C      -8.207857      1.162555      7.534585
  C      -7.559556      0.051143      6.942091
  H      -4.447825      5.617513      7.009228
  H      -4.710173      4.513982      8.376200
  H      -5.419629      2.685841      6.706894
  H      -6.185817      5.379443      5.435892
  H      -7.022128      0.558647      3.283515
  H     -10.531683      3.084996      1.746587
  H     -11.424805      5.360817      2.277115
  H     -10.279161      6.788099      3.967616
  H      -8.252955      5.976041      5.123696
  H      -0.087597      2.779512      3.147399
  H      -1.794093      2.335821      3.257321
  H       0.564373      0.459432      3.963779
  H      -0.749974     -1.355213      3.358904
  H      -4.635400      1.648401      1.153165
  H      -6.433233     -2.544904      1.532176
  H      -5.697270     -4.697933      2.574402
  H      -3.484721     -4.830202      3.717931
  H      -2.006173     -2.867168      3.809115
  H      -2.646402     -1.154675      8.091354
  H      -3.567637     -0.416372      6.774236
  H      -3.925376      0.547201      9.681596
  H      -6.244139      0.513329      9.291555
  H      -5.822707     -2.720941      5.033742
  H      -9.898602     -0.676124      4.534478
  H     -11.022847      1.274751      5.617733
  H      -9.916046      2.459606      7.509100
  H      -7.725866      1.702434      8.349886
  N      -3.603640      1.773665      5.084348
  H      -3.314982      1.468433      4.150803
  H      -4.632250      1.807096      5.078065
92
Coordinates from ORCA-job orca E -6200.700778168029
  N      -3.015053      4.070085      7.223629
  Mo     -2.285126      2.378951      6.443099
  N      -2.217262      0.895261      7.737917
  C      -1.197341      0.862604      8.780265
  C      -0.720092      2.279321      9.067095
  N      -0.561845      3.014836      7.789769
  C      -0.712194      4.478859      7.950674
  C      -2.178349      4.823556      8.153254
  C       0.682735      2.643796      7.077890
  C       0.529599      2.915712      5.589204
  N      -0.782943      2.474371      5.129012
  H      -2.304992      5.913487      8.000918
  H      -2.489648      4.629138      9.201909
  H      -0.354826      4.943535      7.021641
  H      -0.090900      4.854833      8.784483
  H       1.337703      2.380002      5.059423
  H       0.679708      3.992058      5.363456
  H       0.829115      1.565326      7.228160
  H       1.552987      3.175117      7.504793
  H      -1.597583      0.431147      9.715435
  H      -0.353709      0.208989      8.478367
  H      -1.490691      2.802739      9.648827
  H       0.220623      2.290971      9.647002
  C      -4.397441      4.553932      7.304559
  C      -5.369694      3.760314      6.503652
  C      -6.185537      4.292935      5.575814
  C      -7.038957      3.503000      4.693078
  N      -6.659388      2.246587      4.429107
  C      -7.375817      1.552591      3.512073
  N      -8.428579      1.966527      2.828712
  C      -8.873551      3.225971      3.117551
  C     -10.030607      3.714752      2.462585
  C     -10.513156      4.975671      2.751170
  C      -9.860776      5.794262      3.701658
  C      -8.725861      5.345427      4.348976
  C      -8.203280      4.058904      4.068486
  C      -0.809607      2.139548      3.691897
  C      -0.433641      0.693581      3.565011
  C      -1.198876     -0.366795      3.198957
  C      -2.546203     -0.369533      2.653949
  N      -3.038684      0.763867      2.117639
  C      -4.285752      0.725349      1.600123
  N      -5.101886     -0.310260      1.509364
  C      -4.639101     -1.480593      2.051717
  C      -5.472651     -2.623161      2.009597
  C      -5.055048     -3.814091      2.572113
  C      -3.797158     -3.898537      3.206623
  C      -2.962910     -2.796044      3.259068
  C      -3.350784     -1.567455      2.670796
  C      -3.163559     -0.228144      7.783082
  C      -4.264793      0.114017      8.740671
  C      -5.598514      0.080536      8.529113
  C      -6.277618     -0.454690      7.352530
  N      -5.683872     -1.431131      6.656948
  C      -6.353186     -1.936523      5.593048
  N      -7.563157     -1.617833      5.168883
  C      -8.184843     -0.604134      5.844796
  C      -9.455419     -0.162361      5.401346
  C     -10.065565      0.915563      6.008170
  C      -9.437552      1.583361      7.084332
  C      -8.211338      1.155783      7.553423
  C      -7.561789      0.048890      6.953920
  H      -4.444619      5.619295      7.001995
  H      -4.711460      4.521307      8.372524
  H      -5.419563      2.688044      6.709045
  H      -6.177593      5.375646      5.422284
  H      -7.018459      0.541351      3.300495
  H     -10.520475      3.062095      1.738529
  H     -11.407278      5.345642      2.246182
  H     -10.259599      6.785118      3.924961
  H      -8.238353      5.977696      5.092029
  H      -0.087967      2.780806      3.151108
  H      -1.795188      2.338486      3.262021
  H       0.563034      0.456749      3.954564
  H      -0.754927     -1.353470      3.344534
  H      -4.654495      1.674920      1.197059
  H      -6.449870     -2.522499      1.535702
  H      -5.706027     -4.689557      2.542319
  H      -3.484329     -4.837734      3.665831
  H      -2.004649     -2.876919      3.771758
  H      -2.641875     -1.152319      8.101112
  H      -3.563769     -0.418276      6.782521
  H      -3.924684      0.546600      9.688386
  H      -6.242690      0.509813      9.299672
  H      -5.823819     -2.712106      5.030574
  H      -9.904186     -0.671206      4.547596
  H     -11.031092      1.270633      5.644001
  H      -9.922964      2.448453      7.538888
  H      -7.728687      1.692544      8.370398
  N      -3.604208      1.767519      5.093766
  H      -3.316570      1.459954      4.160717
  H      -4.633019      1.800205      5.088928
92
Coordinates from ORCA-job orca E -6200.700788655096
  N      -3.013798      4.074203      7.225798
  Mo     -2.286084      2.381126      6.448040
  N      -2.216415      0.897543      7.742915
  C      -1.196297      0.865318      8.784917
  C      -0.718191      2.282242      9.070247
  N      -0.561095      3.016472      7.792241
  C      -0.709981      4.480906      7.952181
  C      -2.175930      4.827555      8.154787
  C       0.682427      2.643231      7.079616
  C       0.528055      2.914769      5.590999
  N      -0.785727      2.474778      5.132657
  H      -2.301286      5.917488      8.001367
  H      -2.487422      4.634477      9.203614
  H      -0.352364      4.944693      7.022799
  H      -0.088068      4.856651      8.785634
  H       1.334985      2.378273      5.060322
  H       0.678766      3.990953      5.364884
  H       0.827223      1.564580      7.230302
  H       1.553843      3.173495      7.505491
  H      -1.596926      0.435534      9.720723
  H      -0.353311      0.210432      8.483794
  H      -1.487673      2.806631      9.652585
  H       0.223291      2.293825      9.648841
  C      -4.395102      4.561515      7.303979
  C      -5.368380      3.766853      6.505403
  C      -6.183140      4.297014      5.575121
  C      -7.036944      3.504392      4.695216
  N      -6.661105      2.244789      4.440689
  C      -7.377735      1.546921      3.526853
  N      -8.427855      1.959574      2.838614
  C      -8.869211      3.222501      3.117804
  C     -10.023484      3.710382      2.457223
  C     -10.502116      4.975141      2.735416
  C      -9.848572      5.798469      3.680990
  C      -8.716586      5.350386      4.333979
  C      -8.198022      4.059918      4.064242
  C      -0.815554      2.140846      3.695312
  C      -0.442329      0.694315      3.567405
  C      -1.208780     -0.364777      3.199719
  C      -2.554821     -0.366629      2.651184
  N      -3.046605      0.767091      2.114751
  C      -4.292082      0.728593      1.593418
  N      -5.107720     -0.307103      1.499781
  C      -4.645389     -1.478012      2.041243
  C      -5.477839     -2.621210      1.994758
  C      -5.060673     -3.812855      2.556128
  C      -3.804490     -3.897305      3.194078
  C      -2.971408     -2.794138      3.250827
  C      -3.358634     -1.564973      2.663580
  C      -3.160319     -0.227862      7.787694
  C      -4.262184      0.112896      8.744967
  C      -5.595778      0.078113      8.533108
  C      -6.273852     -0.456347      7.355862
  N      -5.676584     -1.427983      6.656533
  C      -6.344406     -1.932160      5.591205
  N      -7.556417     -1.617726      5.169595
  C      -8.181940     -0.609049      5.849551
  C      -9.455076     -0.171614      5.409182
  C     -10.069326      0.901662      6.020138
  C      -9.442672      1.569255      7.097224
  C      -8.213802      1.145849      7.563187
  C      -7.560242      0.043476      6.959711
  H      -4.439684      5.625824      6.997291
  H      -4.709955      4.533719      8.371817
  H      -5.420152      2.695095      6.714014
  H      -6.173542      5.379098      5.417114
  H      -7.022228      0.533503      3.321724
  H     -10.514186      3.054058      1.737043
  H     -11.393957      5.344498      2.225944
  H     -10.244182      6.792427      3.896135
  H      -8.228339      5.986648      5.073163
  H      -0.093812      2.781266      3.153670
  H      -1.801478      2.341385      3.267399
  H       0.553749      0.455510      3.957330
  H      -0.765855     -1.351903      3.345513
  H      -4.661103      1.679078      1.192760
  H      -6.454007     -2.520396      1.518732
  H      -5.710953     -4.688734      2.523208
  H      -3.492098     -4.837025      3.652516
  H      -2.014525     -2.874874      3.766237
  H      -2.636885     -1.150834      8.106366
  H      -3.559957     -0.419220      6.786901
  H      -3.922655      0.545182      9.693094
  H      -6.240514      0.505679      9.304156
  H      -5.812889     -2.704373      5.026326
  H      -9.902759     -0.680047      4.554586
  H     -11.037159      1.253140      5.658568
  H      -9.931286      2.430867      7.554999
  H      -7.732223      1.682612      8.380763
  N      -3.604372      1.764212      5.100317
  H      -3.316393      1.453249      4.168253
  H      -4.633061      1.798536      5.093892
92
Coordinates from ORCA-job orca E -6200.700796481749
  N      -3.010074      4.082596      7.228134
  Mo     -2.288366      2.386866      6.451341
  N      -2.218745      0.902105      7.745008
  C      -1.198208      0.868413      8.786487
  C      -0.716086      2.284330      9.070372
  N      -0.559831      3.018035      7.791992
  C      -0.704367      4.482872      7.952576
  C      -2.169208      4.833639      8.156529
  C       0.681305      2.641449      7.076821
  C       0.524601      2.914219      5.588670
  N      -0.791389      2.477751      5.133119
  H      -2.291553      5.923894      8.003049
  H      -2.480490      4.641465      9.205550
  H      -0.346257      4.946108      7.023109
  H      -0.080668      4.856428      8.785671
  H       1.328972      2.376105      5.055801
  H       0.677367      3.990189      5.362888
  H       0.822964      1.562264      7.226779
  H       1.555114      3.168889      7.501273
  H      -1.599872      0.441028      9.722997
  H      -0.357295      0.210558      8.485885
  H      -1.482906      2.810832      9.654338
  H       0.226708      2.293678      9.646815
  C      -4.388940      4.577079      7.303846
  C      -5.365734      3.783488      6.508595
  C      -6.178143      4.313106      5.575899
  C      -7.035753      3.520073      4.700046
  N      -6.667406      2.256430      4.454292
  C      -7.387487      1.556725      3.544702
  N      -8.435898      1.970303      2.854373
  C      -8.869505      3.237884      3.124367
  C     -10.020735      3.727896      2.460018
  C     -10.490832      4.998117      2.727612
  C      -9.831492      5.824940      3.666095
  C      -8.702599      5.374663      4.322910
  C      -8.192807      4.078414      4.064214
  C      -0.825586      2.144021      3.695740
  C      -0.450181      0.698163      3.566629
  C      -1.215052     -0.362768      3.200649
  C      -2.562379     -0.369037      2.655481
  N      -3.061861      0.764658      2.126046
  C      -4.308559      0.722138      1.608042
  N      -5.118873     -0.317447      1.511442
  C      -4.648756     -1.488511      2.045828
  C      -5.475257     -2.635884      1.995990
  C      -5.050287     -3.828033      2.550409
  C      -3.791987     -3.908833      3.184671
  C      -2.964725     -2.801463      3.244742
  C      -3.359899     -1.571596      2.664380
  C      -3.159731     -0.225913      7.787314
  C      -4.264376      0.112257      8.742099
  C      -5.597601      0.073263      8.528379
  C      -6.273033     -0.465513      7.351840
  N      -5.671221     -1.435022      6.653357
  C      -6.336956     -1.944091      5.589157
  N      -7.551253     -1.637282      5.168408
  C      -8.181876     -0.631267      5.847689
  C      -9.458248     -0.202224      5.408485
  C     -10.078311      0.868173      6.018687
  C      -9.453811      1.541789      7.093267
  C      -8.221413      1.126906      7.557677
  C      -7.562353      0.026957      6.955705
  H      -4.428132      5.640157      6.992202
  H      -4.704210      4.555843      8.371668
  H      -5.422115      2.712623      6.721126
  H      -6.163777      5.394430      5.413118
  H      -7.037494      0.540071      3.346123
  H     -10.515694      3.068927      1.745181
  H     -11.380228      5.369198      2.215119
  H     -10.220142      6.823420      3.872847
  H      -8.210049      6.014109      5.056482
  H      -0.106661      2.785738      3.151900
  H      -1.813406      2.342837      3.271495
  H       0.547478      0.461224      3.953667
  H      -0.768473     -1.348508      3.344652
  H      -4.683851      1.672666      1.213338
  H      -6.453312     -2.537840      1.523277
  H      -5.696114     -4.707106      2.515136
  H      -3.473363     -4.849060      3.637760
  H      -2.006159     -2.879551      3.757473
  H      -2.634351     -1.147196      8.107787
  H      -3.556669     -0.418851      6.785668
  H      -3.927626      0.546782      9.690247
  H      -6.244177      0.500216      9.298185
  H      -5.801640     -2.713853      5.024606
  H      -9.904151     -0.715041      4.555555
  H     -11.049157      1.212589      5.658381
  H      -9.946996      2.401135      7.550422
  H      -7.741449      1.668590      8.372935
  N      -3.610360      1.766649      5.108972
  H      -3.325086      1.455067      4.176194
  H      -4.639048      1.802025      5.104457
92
Coordinates from ORCA-job orca E -6200.700799733035
  N      -3.005536      4.089094      7.228634
  Mo     -2.287730      2.391191      6.453419
  N      -2.220151      0.905899      7.746751
  C      -1.200180      0.871587      8.788762
  C      -0.715109      2.286781      9.071520
  N      -0.558039      3.019846      7.792843
  C      -0.699166      4.484986      7.953354
  C      -2.163265      4.839018      8.156770
  C       0.682022      2.640250      7.077143
  C       0.525054      2.912914      5.589040
  N      -0.792111      2.478801      5.134523
  H      -2.283247      5.929394      8.002448
  H      -2.475301      4.648177      9.205778
  H      -0.339633      4.947428      7.024045
  H      -0.074911      4.857046      8.786686
  H       1.328030      2.373324      5.055609
  H       0.679550      3.988576      5.363040
  H       0.821090      1.560757      7.227379
  H       1.557204      3.165774      7.501093
  H      -1.603509      0.446542      9.725672
  H      -0.360690      0.211212      8.489649
  H      -1.480366      2.815164      9.655856
  H       0.228102      2.294364      9.647296
  C      -4.382563      4.589154      7.300934
  C      -5.361669      3.794580      6.509538
  C      -6.171492      4.321756      5.573265
  C      -7.031035      3.526604      4.701178
  N      -6.665493      2.260904      4.461740
  C      -7.387055      1.558242      3.555677
  N      -8.435337      1.970261      2.864211
  C      -8.865891      3.240263      3.127609
  C     -10.016332      3.729276      2.461148
  C     -10.482846      5.002342      2.721293
  C      -9.820494      5.833175      3.654105
  C      -8.692480      5.383827      4.313043
  C      -8.186526      4.084511      4.062217
  C      -0.828442      2.144923      3.697091
  C      -0.454671      0.698717      3.567481
  C      -1.220823     -0.361600      3.202166
  C      -2.568393     -0.367455      2.657872
  N      -3.069106      0.767358      2.131864
  C      -4.315751      0.725199      1.613821
  N      -5.125078     -0.314876      1.514140
  C      -4.653926     -1.486995      2.045319
  C      -5.479528     -2.634883      1.992367
  C      -5.053792     -3.828157      2.543744
  C      -3.795448     -3.909671      3.177777
  C      -2.968917     -2.801902      3.240613
  C      -3.364944     -1.570729      2.663582
  C      -3.159300     -0.223775      7.787475
  C      -4.265920      0.112580      8.740481
  C      -5.598918      0.070504      8.525757
  C      -6.272771     -0.470414      7.349501
  N      -5.666967     -1.436311      6.649402
  C      -6.331503     -1.948092      5.585824
  N      -7.547999     -1.647312      5.166967
  C      -8.182975     -0.645180      5.848008
  C      -9.462604     -0.223139      5.411522
  C     -10.087938      0.842943      6.023924
  C      -9.465127      1.519652      7.097535
  C      -8.229219      1.111854      7.558900
  C      -7.565116      0.015814      6.955294
  H      -4.417656      5.650529      6.983105
  H      -4.698436      4.575280      8.368646
  H      -5.421746      2.725040      6.727414
  H      -6.153299      5.402101      5.404574
  H      -7.038324      0.540424      3.361057
  H     -10.513367      3.067341      1.750507
  H     -11.371587      5.372678      2.207130
  H     -10.206046      6.834086      3.854803
  H      -8.197668      6.026647      5.042111
  H      -0.109580      2.786000      3.152399
  H      -1.816861      2.344500      3.274565
  H       0.543108      0.460549      3.953452
  H      -0.774442     -1.347472      3.345755
  H      -4.692064      1.676562      1.222087
  H      -6.457647     -2.536290      1.519901
  H      -5.698996     -4.707586      2.506136
  H      -3.476117     -4.850828      3.628437
  H      -2.010340     -2.880804      3.753175
  H      -2.632657     -1.143836      8.109460
  H      -3.554295     -0.417943      6.785332
  H      -3.931124      0.548369      9.688760
  H      -6.246565      0.496261      9.295324
  H      -5.792730     -2.714169      5.019499
  H      -9.907100     -0.737997      4.559080
  H     -11.061632      1.181679      5.665949
  H      -9.962540      2.375603      7.556466
  H      -7.750502      1.656113      8.373203
  N      -3.612633      1.768717      5.115400
  H      -3.329108      1.455927      4.182348
  H      -4.641380      1.804008      5.112486
92
Coordinates from ORCA-job orca E -6200.700801223011
  N      -3.004256      4.090788      7.229168
  Mo     -2.287617      2.392333      6.453932
  N      -2.220162      0.906380      7.746645
  C      -1.200703      0.872173      8.789143
  C      -0.715433      2.287202      9.072002
  N      -0.557794      3.020500      7.793594
  C      -0.697913      4.485623      7.954432
  C      -2.161875      4.840505      8.157385
  C       0.681947      2.640235      7.077632
  C       0.525209      2.913117      5.589518
  N      -0.792318      2.480346      5.134880
  H      -2.281307      5.930895      8.002776
  H      -2.474273      4.650097      9.206358
  H      -0.337702      4.948038      7.025361
  H      -0.073648      4.857066      8.788031
  H       1.327701      2.372606      5.056235
  H       0.680997      3.988551      5.363289
  H       0.820409      1.560649      7.227705
  H       1.557490      3.165133      7.501618
  H      -1.604551      0.447620      9.726069
  H      -0.361250      0.211424      8.490745
  H      -1.480791      2.815616      9.656201
  H       0.227529      2.294435      9.648234
  C      -4.380676      4.593105      7.299178
  C      -5.360436      3.797461      6.509636
  C      -6.168742      4.322973      5.571102
  C      -7.029609      3.526644      4.701279
  N      -6.667027      2.259170      4.466712
  C      -7.390080      1.554884      3.563109
  N      -8.437264      1.966765      2.869904
  C      -8.864539      3.238933      3.128001
  C     -10.013073      3.728566      2.458719
  C     -10.475909      5.004110      2.713205
  C      -9.811757      5.836845      3.643049
  C      -8.685613      5.386876      4.304733
  C      -8.183312      4.085025      4.059604
  C      -0.828967      2.147059      3.697332
  C      -0.455928      0.700761      3.566828
  C      -1.222669     -0.358939      3.200950
  C      -2.570521     -0.363927      2.657578
  N      -3.071679      0.771885      2.134116
  C      -4.318548      0.730616      1.616614
  N      -5.127841     -0.309354      1.515380
  C      -4.656594     -1.482308      2.044625
  C      -5.482553     -2.629901      1.990698
  C      -5.056766     -3.824039      2.540169
  C      -3.797915     -3.906770      3.172993
  C      -2.970968     -2.799359      3.236719
  C      -3.367156     -1.567194      2.661872
  C      -3.158767     -0.223749      7.787201
  C      -4.265386      0.111708      8.740520
  C      -5.598449      0.067948      8.526422
  C      -6.272702     -0.474568      7.351255
  N      -5.666599     -1.440258      6.651133
  C      -6.332075     -1.954135      5.589131
  N      -7.549707     -1.655657      5.171965
  C      -8.184840     -0.653324      5.852654
  C      -9.465473     -0.233255      5.417327
  C     -10.091133      0.833007      6.029157
  C      -9.467565      1.511823      7.100988
  C      -8.230575      1.105919      7.561196
  C      -7.566173      0.009759      6.958225
  H      -4.414019      5.653551      6.978078
  H      -4.697055      4.582812      8.366741
  H      -5.422201      2.728725      6.731060
  H      -6.148259      5.402699      5.398805
  H      -7.043992      0.535456      3.372569
  H     -10.511528      3.065221      1.750393
  H     -11.363152      5.374995      2.196855
  H     -10.194446      6.839747      3.839235
  H      -8.189330      6.031245      5.031421
  H      -0.109944      2.788065      3.152752
  H      -1.817485      2.347206      3.275212
  H       0.541721      0.461577      3.952498
  H      -0.776663     -1.345117      3.343547
  H      -4.695001      1.682559      1.226410
  H      -6.460938     -2.530391      1.518973
  H      -5.702203     -4.703267      2.501875
  H      -3.478415     -4.848633      3.622071
  H      -2.012009     -2.879412      3.748368
  H      -2.631604     -1.143592      8.109012
  H      -3.553886     -0.417984      6.785154
  H      -3.930836      0.548394      9.688457
  H      -6.245985      0.493548      9.296189
  H      -5.793074     -2.720193      5.022948
  H      -9.910494     -0.749669      4.566106
  H     -11.065687      1.170219      5.672095
  H      -9.965239      2.367822      7.559540
  H      -7.751159      1.651993      8.373894
  N      -3.613586      1.769145      5.117612
  H      -3.330800      1.457522      4.183929
  H      -4.642448      1.802882      5.116227
92
Coordinates from ORCA-job orca E -6200.700802482240
  N      -3.002239      4.091826      7.228405
  Mo     -2.286299      2.393205      6.452283
  N      -2.220719      0.905630      7.743250
  C      -1.202718      0.870796      8.787190
  C      -0.717716      2.285573      9.071972
  N      -0.557724      3.020040      7.794654
  C      -0.696615      4.485050      7.956464
  C      -2.160569      4.841052      8.157621
  C       0.682586      2.639296      7.079904
  C       0.527968      2.912749      5.591652
  N      -0.789457      2.481659      5.135212
  H      -2.279158      5.931489      8.002756
  H      -2.474360      4.650971      9.206229
  H      -0.334622      4.947809      7.028243
  H      -0.073084      4.855224      8.791171
  H       1.330510      2.371129      5.059520
  H       0.685551      3.987920      5.365462
  H       0.820377      1.559600      7.229712
  H       1.557922      3.163511      7.505164
  H      -1.607798      0.445923      9.723438
  H      -0.362944      0.210033      8.489783
  H      -1.484015      2.813499      9.655399
  H       0.224129      2.291954      9.650109
  C      -4.378069      4.596299      7.295167
  C      -5.358203      3.798245      6.508503
  C      -6.165871      4.320911      5.567858
  C      -7.027301      3.522504      4.700423
  N      -6.664396      2.254763      4.467949
  C      -7.388039      1.548518      3.566278
  N      -8.436066      1.958656      2.873418
  C      -8.863437      3.231254      3.129236
  C     -10.012535      3.719404      2.459868
  C     -10.475396      4.995332      2.712358
  C      -9.810839      5.829922      3.640264
  C      -8.684141      5.381427      4.301970
  C      -8.181691      4.079267      4.058679
  C      -0.824545      2.148122      3.697679
  C      -0.453110      0.701373      3.567967
  C      -1.220913     -0.357306      3.201380
  C      -2.568137     -0.360561      2.656646
  N      -3.067440      0.775895      2.132737
  C      -4.313486      0.735963      1.613263
  N      -5.123596     -0.303248      1.510384
  C      -4.654595     -1.476616      2.040723
  C      -5.481812     -2.623255      1.985806
  C      -5.058337     -3.817744      2.536344
  C      -3.800573     -3.901773      3.171102
  C      -2.972349     -2.795364      3.235750
  C      -3.366199     -1.562889      2.659999
  C      -3.160454     -0.223573      7.783583
  C      -4.265921      0.112137      8.738234
  C      -5.599291      0.068967      8.525743
  C      -6.275721     -0.473323      7.351839
  N      -5.671023     -1.438809      6.650196
  C      -6.339348     -1.953549      5.590397
  N      -7.558309     -1.655878      5.176599
  C      -8.191644     -0.652959      5.858156
  C      -9.473183     -0.233003      5.425469
  C     -10.097247      0.833801      6.038023
  C      -9.471085      1.513231      7.107945
  C      -8.233045      1.107473      7.565513
  C      -7.570221      0.010836      6.961748
  H      -4.409945      5.655342      6.969371
  H      -4.695087      4.590912      8.362548
  H      -5.420502      2.730413      6.734194
  H      -6.144220      5.399958      5.391510
  H      -7.042111      0.528716      3.377717
  H     -10.511419      3.054704      1.753119
  H     -11.363078      5.365120      2.195970
  H     -10.193689      6.833072      3.834858
  H      -8.187409      6.027009      5.027260
  H      -0.104101      2.788196      3.153914
  H      -1.812346      2.349232      3.274221
  H       0.543740      0.460713      3.954770
  H      -0.776460     -1.344129      3.344398
  H      -4.688333      1.688256      1.222356
  H      -6.459232     -2.522740      1.512281
  H      -5.704713     -4.696250      2.497298
  H      -3.482842     -4.843848      3.620998
  H      -2.014292     -2.876490      3.748915
  H      -2.634027     -1.144339      8.104011
  H      -3.556760     -0.416363      6.781752
  H      -3.930371      0.548371      9.685994
  H      -6.245483      0.494758      9.296550
  H      -5.801397     -2.719441      5.022978
  H      -9.920167     -0.749898      4.575572
  H     -11.072560      1.170995      5.683025
  H      -9.967519      2.369584      7.567176
  H      -7.751522      1.654151      8.376576
  N      -3.611835      1.771939      5.114997
  H      -3.328529      1.462600      4.180700
  H      -4.640844      1.802630      5.114441
92
Coordinates from ORCA-job orca E -6200.700803469645
  N      -3.000329      4.093107      7.228914
  Mo     -2.285479      2.393811      6.453063
  N      -2.220078      0.906331      7.744280
  C      -1.202608      0.871871      8.788730
  C      -0.717754      2.286650      9.073285
  N      -0.556677      3.020538      7.795883
  C      -0.694713      4.485672      7.957032
  C      -2.158543      4.842706      8.157641
  C       0.683471      2.638827      7.081438
  C       0.529474      2.911792      5.592955
  N      -0.788276      2.482175      5.136153
  H      -2.276541      5.933056      8.001726
  H      -2.472580      4.653797      9.206384
  H      -0.332195      4.947786      7.028690
  H      -0.071110      4.855831      8.791699
  H       1.331574      2.368759      5.061550
  H       0.688601      3.986590      5.366072
  H       0.820897      1.559165      7.231706
  H       1.559009      3.162820      7.506597
  H      -1.607934      0.447265      9.724987
  H      -0.362623      0.211090      8.491954
  H      -1.484620      2.814783      9.655792
  H       0.223478      2.293167      9.652463
  C      -4.375667      4.599275      7.293096
  C      -5.356029      3.799383      6.508547
  C      -6.163412      4.319808      5.566388
  C      -7.025472      3.519704      4.701192
  N      -6.664667      2.250488      4.473612
  C      -7.389264      1.542101      3.574392
  N      -8.435979      1.951578      2.879218
  C      -8.861059      3.225985      3.129749
  C     -10.008463      3.713918      2.457345
  C     -10.468941      4.991748      2.704526
  C      -9.803743      5.828447      3.630070
  C      -8.678656      5.380185      4.294655
  C      -8.178462      4.076156      4.056618
  C      -0.823383      2.149007      3.698590
  C      -0.454228      0.701709      3.568233
  C      -1.223555     -0.355344      3.200170
  C      -2.570456     -0.355747      2.654562
  N      -3.067244      0.781878      2.130811
  C      -4.313106      0.744686      1.610707
  N      -5.125400     -0.292773      1.507332
  C      -4.659145     -1.467200      2.037738
  C      -5.488970     -2.611936      1.982665
  C      -5.068150     -3.807512      2.532896
  C      -3.810505     -3.894542      3.167472
  C      -2.979824     -2.789987      3.232483
  C      -3.371004     -1.556444      2.657194
  C      -3.160174     -0.222521      7.785116
  C      -4.265571      0.113429      8.739804
  C      -5.598942      0.068826      8.527449
  C      -6.275008     -0.475605      7.354353
  N      -5.668858     -1.440390      6.652997
  C      -6.337059     -1.957557      5.594273
  N      -7.557041     -1.662911      5.181334
  C      -8.191720     -0.660381      5.862283
  C      -9.474267     -0.243191      5.429976
  C     -10.099734      0.823290      6.041694
  C      -9.474094      1.504923      7.110500
  C      -8.235085      1.101743      7.567801
  C      -7.570747      0.005677      6.964758
  H      -4.406370      5.657295      6.963911
  H      -4.693348      4.597422      8.360291
  H      -5.418536      2.732248      6.737689
  H      -6.140821      5.398293      5.386757
  H      -7.045166      0.520957      3.389902
  H     -10.508002      3.047612      1.752578
  H     -11.355265      5.361462      2.185761
  H     -10.184888      6.833039      3.820523
  H      -8.181383      6.027331      5.018175
  H      -0.101843      2.788174      3.155209
  H      -1.810692      2.351773      3.274732
  H       0.541921      0.459021      3.955567
  H      -0.781083     -1.343134      3.342631
  H      -4.685717      1.697813      1.219703
  H      -6.466134     -2.509092      1.509108
  H      -5.716491     -4.684563      2.493740
  H      -3.494791     -4.837457      3.617030
  H      -2.021892     -2.873468      3.745503
  H      -2.633939     -1.143463      8.105326
  H      -3.556814     -0.415246      6.783407
  H      -3.930337      0.550611      9.687225
  H      -6.245560      0.494541      9.297953
  H      -5.797921     -2.722868      5.027195
  H      -9.920895     -0.761803      4.580939
  H     -11.075855      1.158432      5.686969
  H      -9.971610      2.360990      7.569090
  H      -7.754056      1.650081      8.378028
  N      -3.611154      1.772711      5.116052
  H      -3.328100      1.465695      4.180952
  H      -4.640232      1.801665      5.116720
92
Coordinates from ORCA-job orca E -6200.700803955481
  N      -2.999632      4.093014      7.228623
  Mo     -2.284960      2.393779      6.452484
  N      -2.220290      0.906046      7.743432
  C      -1.203070      0.871075      8.788113
  C      -0.718140      2.285749      9.073275
  N      -0.556347      3.019823      7.796083
  C      -0.694190      4.484977      7.957414
  C      -2.157995      4.842342      8.157652
  C       0.684044      2.638125      7.082126
  C       0.530602      2.911438      5.593648
  N      -0.787052      2.482086      5.136316
  H      -2.275642      5.932725      8.001712
  H      -2.472397      4.653457      9.206284
  H      -0.331340      4.947168      7.029247
  H      -0.070760      4.854859      8.792335
  H       1.332801      2.368432      5.062387
  H       0.689811      3.986293      5.367143
  H       0.821407      1.558441      7.232274
  H       1.559451      3.162039      7.507663
  H      -1.608617      0.446039      9.724071
  H      -0.363056      0.210383      8.491207
  H      -1.485249      2.813879      9.655459
  H       0.222780      2.292026      9.652962
  C      -4.374782      4.599602      7.292001
  C      -5.355216      3.799011      6.508253
  C      -6.163214      4.318802      5.566257
  C      -7.025295      3.518307      4.701530
  N      -6.664030      2.249256      4.473828
  C      -7.388465      1.540553      3.574719
  N      -8.435550      1.949549      2.879872
  C      -8.861239      3.223721      3.130675
  C     -10.009214      3.711002      2.458781
  C     -10.470433      4.988497      2.706316
  C      -9.805385      5.825519      3.631669
  C      -8.679714      5.377911      4.295709
  C      -8.178802      4.074228      4.057343
  C      -0.821734      2.149094      3.698724
  C      -0.452833      0.701727      3.568367
  C      -1.222360     -0.355115      3.200179
  C      -2.569155     -0.355152      2.654159
  N      -3.065244      0.782305      2.129402
  C      -4.310942      0.745286      1.608856
  N      -5.123674     -0.291866      1.505920
  C      -4.657981     -1.466188      2.037060
  C      -5.488100     -2.610716      1.982183
  C      -5.067763     -3.806217      2.532940
  C      -3.810347     -3.893376      3.167970
  C      -2.979454     -2.788974      3.232916
  C      -3.370112     -1.555562      2.657021
  C      -3.161236     -0.222109      7.784072
  C      -4.266361      0.114533      8.738827
  C      -5.599823      0.070608      8.526713
  C      -6.276425     -0.473997      7.353955
  N      -5.670746     -1.439183      6.652703
  C      -6.339408     -1.956464      5.594346
  N      -7.559520     -1.661754      5.181791
  C      -8.193789     -0.658968      5.862722
  C      -9.476463     -0.241680      5.430839
  C     -10.101489      0.825071      6.042508
  C      -9.475282      1.506934      7.110829
  C      -8.236123      1.103738      7.567692
  C      -7.572229      0.007350      6.964710
  H      -4.405309      5.657286      6.961747
  H      -4.692713      4.598923      8.359142
  H      -5.417110      2.731953      6.737990
  H      -6.141139      5.397253      5.386291
  H      -7.043823      0.519606      3.390072
  H     -10.508649      3.044455      1.754168
  H     -11.357195      5.357708      2.187943
  H     -10.187124      6.829831      3.822411
  H      -8.182549      6.025254      5.019136
  H      -0.099854      2.788183      3.155691
  H      -1.808745      2.352158      3.274368
  H       0.543210      0.458959      3.955917
  H      -0.780198     -1.343023      3.342774
  H      -4.683061      1.698377      1.217301
  H      -6.465114     -2.507759      1.508340
  H      -5.716367     -4.683077      2.493906
  H      -3.495053     -4.836225      3.617956
  H      -2.021752     -2.872420      3.746370
  H      -2.635675     -1.143574      8.103847
  H      -3.558077     -0.414184      6.782300
  H      -3.930760      0.551787      9.686091
  H      -6.246134      0.496932      9.297122
  H      -5.800736     -2.722187      5.027400
  H      -9.923566     -0.760514      4.582187
  H     -11.077712      1.160260      5.688103
  H      -9.972445      2.363251      7.569340
  H      -7.754698      1.652176      8.377606
  N      -3.609926      1.773689      5.114318
  H      -3.326524      1.467446      4.179057
  H      -4.639045      1.801559      5.115100
