101
Coordinates from ORCA-job orca E -6483.944685753680
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  N      -5.301480      2.999608      2.003795
  H      -4.717096      3.457784      1.295807
101
Coordinates from ORCA-job orca E -6483.996207663276
  N      -2.932568      0.494489      4.660557
  Mo     -3.566289      2.328738      4.821471
  N      -4.884858      2.013925      6.207501
  C      -4.415784      1.823349      7.576861
  C      -3.007883      1.229932      7.573708
  N      -2.171101      1.947947      6.594130
  C      -1.076396      1.097752      6.096251
  C      -1.653584      0.023862      5.146650
  C      -1.633219      3.198574      7.159823
  C      -1.677521      4.236983      6.034814
  N      -2.993642      4.132687      5.439618
  H      -0.940680     -0.145783      4.325078
  H      -1.778490     -0.935377      5.675236
  H      -0.383343      1.738726      5.541954
  H      -0.533900      0.629315      6.929767
  H      -1.475894      5.240128      6.430479
  H      -0.904738      4.009557      5.283479
  H      -2.287999      3.537711      7.968867
  H      -0.620289      3.056927      7.557091
  H      -5.083006      1.139501      8.123511
  H      -4.423907      2.783559      8.119894
  H      -3.077839      0.180776      7.270757
  H      -2.559333      1.273246      8.575916
  C      -3.931809     -0.516782      4.429386
  C      -3.568809     -1.423894      3.236719
  C      -3.438636     -0.629941      1.937417
  O      -4.738941     -0.169358      1.521916
  C      -4.799460      0.275999      0.214866
  C      -5.593833     -0.412213     -0.684358
  C      -5.681043      0.044043     -2.007046
  N      -5.040685      1.098705     -2.472177
  C      -4.260336      1.796906     -1.614689
  C      -3.576370      2.945079     -2.076159
  C      -2.800837      3.662141     -1.189231
  C      -2.718946      3.232798      0.138960
  N      -3.335720      2.162512      0.612227
  C      -4.100816      1.436348     -0.238926
  C      -3.886341      5.233893      5.762066
  C      -4.968535      5.434232      4.696621
  C      -4.370059      5.848687      3.344221
  O      -5.105385      5.291353      2.260134
  C      -6.343992      5.728264      1.932302
  C      -6.898819      6.939268      2.302793
  C      -8.147967      7.295475      1.779661
  N      -8.834123      6.568583      0.923365
  C      -8.324404      5.368961      0.560670
  C      -9.027974      4.576014     -0.374762
  C      -8.529436      3.336323     -0.700053
  C      -7.375073      2.881381     -0.052256
  N      -6.655921      3.591973      0.798771
  C      -7.098239      4.857503      1.082434
  C      -6.325737      1.946780      6.131719
  C      -7.063541      3.135014      6.800547
  C      -8.286099      3.530750      5.983790
  O      -7.855824      4.003889      4.697344
  C      -8.798891      3.808307      3.709302
  C      -9.791637      4.742720      3.469743
  C     -10.725975      4.489792      2.461087
  N     -10.737305      3.393176      1.722394
  C      -9.785145      2.459699      1.954360
  C      -9.782603      1.265398      1.205363
  C      -8.810868      0.313976      1.464491
  C      -7.835517      0.585125      2.425834
  N      -7.791728      1.699558      3.148248
  C      -8.760981      2.625200      2.934649
  H      -4.076956     -1.153724      5.323464
  H      -4.882485     -0.014515      4.205347
  H      -2.613907     -1.924417      3.421695
  H      -4.347578     -2.184071      3.120116
  H      -3.022638     -1.270210      1.146589
  H      -2.780709      0.239443      2.078510
  H      -6.138314     -1.290647     -0.359755
  H      -6.299182     -0.484421     -2.728133
  H      -3.686860      3.234762     -3.114261
  H      -2.263335      4.549370     -1.500069
  H      -2.117571      3.773648      0.865673
  H      -3.313430      6.171244      5.847295
  H      -4.381588      5.054784      6.734667
  H      -5.694088      6.181412      5.031050
  H      -5.497021      4.481459      4.561392
  H      -3.373846      5.404039      3.220285
  H      -4.284405      6.938911      3.248179
  H      -6.387756      7.624527      2.966164
  H      -8.601259      8.243073      2.059149
  H      -9.944264      4.962655     -0.802173
  H      -9.028414      2.695107     -1.416520
  H      -7.016131      1.872586     -0.231056
  H      -6.683281      1.010024      6.596414
  H      -6.613973      1.929611      5.076359
  H      -6.391345      3.997147      6.848703
  H      -7.388727      2.885882      7.814398
  H      -8.856258      4.329117      6.481660
  H      -8.945670      2.660800      5.851404
  H      -9.834201      5.655032      4.052405
  H     -11.506924      5.211024      2.238994
  H     -10.549849      1.116681      0.455429
  H      -8.788148     -0.620919      0.917330
  H      -7.030811     -0.122438      2.624065
  N      -4.643987      2.693202      3.068292
  N      -5.274991      2.908391      2.032207
  H      -4.679496      3.328358      1.311935
101
Coordinates from ORCA-job orca E -6484.030157484890
  N      -2.902755      0.477571      4.668103
  Mo     -3.546182      2.318506      4.830762
  N      -4.884269      2.012398      6.200349
  C      -4.419007      1.824432      7.577778
  C      -3.014134      1.228786      7.591363
  N      -2.163657      1.946408      6.614496
  C      -1.059655      1.093356      6.124628
  C      -1.623126      0.016960      5.172272
  C      -1.627368      3.204781      7.180698
  C      -1.659352      4.235446      6.050323
  N      -2.975226      4.135936      5.440889
  H      -0.898290     -0.149284      4.358704
  H      -1.749704     -0.944987      5.699247
  H      -0.362615      1.738927      5.575714
  H      -0.521135      0.628635      6.965205
  H      -1.457924      5.242826      6.441201
  H      -0.877283      4.000567      5.308847
  H      -2.289353      3.547201      7.985128
  H      -0.616342      3.060662      7.588986
  H      -5.093720      1.143323      8.121370
  H      -4.429922      2.788449      8.118205
  H      -3.080483      0.176891      7.290177
  H      -2.572864      1.274656      8.599095
  C      -3.897558     -0.547644      4.418278
  C      -3.519158     -1.458873      3.228657
  C      -3.379363     -0.685430      1.922154
  O      -4.684621     -0.236415      1.491024
  C      -4.744693      0.200217      0.187941
  C      -5.542515     -0.488511     -0.707149
  C      -5.641856     -0.031667     -2.036757
  N      -5.009969      1.029738     -2.511439
  C      -4.223194      1.729285     -1.651268
  C      -3.549736      2.889431     -2.111998
  C      -2.771895      3.611372     -1.229130
  C      -2.670179      3.173019      0.100192
  N      -3.276083      2.094319      0.573775
  C      -4.048918      1.363905     -0.274326
  C      -3.875028      5.244791      5.747865
  C      -4.957254      5.463996      4.684822
  C      -4.377051      5.899187      3.330351
  O      -5.133010      5.355015      2.249245
  C      -6.377095      5.765297      1.943710
  C      -6.968076      6.953611      2.336618
  C      -8.238015      7.276768      1.823931
  N      -8.906974      6.540044      0.953012
  C      -8.351332      5.357950      0.573749
  C      -9.031930      4.547214     -0.367447
  C      -8.497917      3.323458     -0.702292
  C      -7.322937      2.897150     -0.059631
  N      -6.621875      3.624406      0.796690
  C      -7.105037      4.878078      1.088366
  C      -6.330871      1.948750      6.109701
  C      -7.072486      3.133574      6.785380
  C      -8.304542      3.542284      5.991629
  O      -7.906992      4.046065      4.699728
  C      -8.876030      3.860508      3.742838
  C      -9.887232      4.782716      3.552815
  C     -10.858272      4.532477      2.565781
  N     -10.878094      3.451447      1.799565
  C      -9.893232      2.531393      1.979089
  C      -9.877223      1.360742      1.187814
  C      -8.871708      0.431800      1.382492
  C      -7.868052      0.698088      2.331913
  N      -7.838038      1.786722      3.091856
  C      -8.840237      2.691875      2.935404
  H      -4.046160     -1.180613      5.314954
  H      -4.851664     -0.053321      4.185846
  H      -2.559887     -1.954776      3.425477
  H      -4.294975     -2.227748      3.113059
  H      -2.952897     -1.334402      1.141507
  H      -2.727130      0.189723      2.058791
  H      -6.085672     -1.370881     -0.376570
  H      -6.268274     -0.568421     -2.751590
  H      -3.674441      3.184842     -3.151598
  H      -2.244296      4.510880     -1.534184
  H      -2.063632      3.721451      0.824120
  H      -3.296225      6.180112      5.841467
  H      -4.374825      5.061572      6.718384
  H      -5.677961      6.212397      5.035659
  H      -5.494698      4.515421      4.540195
  H      -3.380226      5.461883      3.170495
  H      -4.296211      6.994060      3.253187
  H      -6.471139      7.646348      3.010534
  H      -8.718954      8.209728      2.124268
  H      -9.966691      4.908717     -0.788263
  H      -8.986382      2.665195     -1.418366
  H      -6.935408      1.894580     -0.246075
  H      -6.687578      1.009366      6.571704
  H      -6.613535      1.930242      5.049529
  H      -6.397690      3.997702      6.843461
  H      -7.395458      2.871618      7.800766
  H      -8.867968      4.331828      6.514683
  H      -8.966585      2.672015      5.855794
  H      -9.921541      5.689830      4.152257
  H     -11.657752      5.252520      2.387323
  H     -10.660891      1.221012      0.446347
  H      -8.835947     -0.483350      0.794908
  H      -7.029741      0.006935      2.472397
  N      -4.565389      2.664837      3.111010
  N      -5.158646      2.875296      2.077874
  H      -4.548905      3.299895      1.366524
101
Coordinates from ORCA-job orca E -6484.051338926864
  N      -2.980383      0.450363      4.659849
  Mo     -3.589480      2.311962      4.833397
  N      -4.932119      2.049156      6.209056
  C      -4.454737      1.862283      7.586852
  C      -3.066863      1.231276      7.597389
  N      -2.201812      1.921638      6.608380
  C      -1.118584      1.038246      6.113443
  C      -1.705844     -0.028700      5.167095
  C      -1.628817      3.175447      7.161290
  C      -1.640756      4.193339      6.020772
  N      -2.965849      4.128988      5.417732
  H      -0.982727     -0.206373      4.353205
  H      -1.849205     -0.990692      5.692055
  H      -0.411273      1.670427      5.558934
  H      -0.583055      0.567392      6.953849
  H      -1.409045      5.200979      6.397717
  H      -0.867479      3.928284      5.279134
  H      -2.276713      3.539928      7.969129
  H      -0.618422      3.005945      7.565628
  H      -5.142603      1.201251      8.140304
  H      -4.440573      2.831919      8.119311
  H      -3.159008      0.177936      7.303740
  H      -2.616372      1.273634      8.602589
  C      -3.990495     -0.560704      4.388074
  C      -3.606715     -1.458475      3.188312
  C      -3.420407     -0.679308      1.891635
  O      -4.708321     -0.192546      1.434323
  C      -4.751073      0.258223      0.141115
  C      -5.571407     -0.399985     -0.755987
  C      -5.669754      0.068263     -2.085949
  N      -5.016197      1.117596     -2.562089
  C      -4.204574      1.788673     -1.696596
  C      -3.508876      2.938405     -2.155501
  C      -2.706558      3.638597     -1.278851
  C      -2.598621      3.186597      0.050173
  N      -3.226007      2.118413      0.524710
  C      -4.026346      1.408969     -0.321151
  C      -3.836422      5.267236      5.714002
  C      -4.917420      5.515768      4.656984
  C      -4.337226      5.932068      3.297007
  O      -5.127944      5.409216      2.225472
  C      -6.358974      5.859588      1.947076
  C      -6.900720      7.071342      2.341986
  C      -8.176709      7.430789      1.857119
  N      -8.896517      6.705922      1.012284
  C      -8.382874      5.497600      0.638284
  C      -9.114211      4.687524     -0.265687
  C      -8.628030      3.439985     -0.587525
  C      -7.440191      2.990938      0.027893
  N      -6.693804      3.714942      0.848476
  C      -7.136989      4.985121      1.125599
  C      -6.384236      2.011333      6.126509
  C      -7.116350      3.211007      6.785417
  C      -8.347607      3.578813      5.978863
  O      -7.928577      4.026339      4.670666
  C      -8.859340      3.767968      3.699835
  C      -9.877461      4.647424      3.398487
  C     -10.800074      4.299358      2.384795
  N     -10.763469      3.165763      1.696432
  C      -9.763849      2.285736      1.990622
  C      -9.674171      1.061675      1.285585
  C      -8.659572      0.179058      1.596207
  C      -7.709613      0.540034      2.579696
  N      -7.746141      1.679596      3.257117
  C      -8.762171      2.541595      2.981919
  H      -4.159598     -1.198168      5.277756
  H      -4.934865     -0.049073      4.151224
  H      -2.657644     -1.975040      3.395303
  H      -4.394490     -2.215128      3.051826
  H      -2.991639     -1.332349      1.114417
  H      -2.750827      0.179635      2.048528
  H      -6.137326     -1.271909     -0.427330
  H      -6.318189     -0.452892     -2.796667
  H      -3.639618      3.243484     -3.194387
  H      -2.161755      4.532243     -1.580245
  H      -1.970235      3.722093      0.769574
  H      -3.225776      6.184295      5.801083
  H      -4.336341      5.105632      6.688841
  H      -5.611180      6.287764      5.015987
  H      -5.491948      4.585470      4.514816
  H      -3.355769      5.465967      3.119686
  H      -4.223876      7.025651      3.217652
  H      -6.360382      7.755012      2.996003
  H      -8.615868      8.385695      2.162230
  H     -10.053819      5.068661     -0.665021
  H      -9.163832      2.777193     -1.269342
  H      -7.088437      1.970453     -0.149928
  H      -6.743354      1.080338      6.604276
  H      -6.674321      1.978303      5.066579
  H      -6.439707      4.077839      6.823956
  H      -7.439970      2.976915      7.809980
  H      -8.929947      4.380073      6.464190
  H      -8.996202      2.693124      5.870117
  H      -9.957042      5.598858      3.924745
  H     -11.604573      4.990881      2.120301
  H     -10.411375      0.851604      0.510056
  H      -8.568297     -0.774995      1.075222
  H      -6.862965     -0.119532      2.807477
  N      -4.573405      2.656266      3.174147
  N      -5.152858      2.864603      2.146544
  H      -4.540861      3.257045      1.410576
101
Coordinates from ORCA-job orca E -6484.069714973112
  N      -2.931828      0.424701      4.678788
  Mo     -3.562411      2.288122      4.846461
  N      -4.918641      2.038094      6.209669
  C      -4.439962      1.868180      7.591885
  C      -3.049480      1.244335      7.619379
  N      -2.179932      1.930794      6.628453
  C      -1.086456      1.048086      6.144690
  C      -1.655733     -0.033531      5.203596
  C      -1.618548      3.199408      7.168149
  C      -1.631323      4.201301      6.013766
  N      -2.954379      4.124682      5.402577
  H      -0.922295     -0.209076      4.397850
  H      -1.793232     -0.994577      5.732747
  H      -0.382032      1.684410      5.590122
  H      -0.549938      0.591941      6.992814
  H      -1.408401      5.216602      6.376542
  H      -0.850382      3.931714      5.281733
  H      -2.273941      3.566563      7.969166
  H      -0.609699      3.039661      7.581523
  H      -5.129366      1.211097      8.148516
  H      -4.433774      2.844341      8.112649
  H      -3.130163      0.186996      7.335238
  H      -2.604827      1.300070      8.626916
  C      -3.931182     -0.594490      4.391770
  C      -3.546308     -1.482862      3.189543
  C      -3.351664     -0.694929      1.902261
  O      -4.636709     -0.182812      1.453834
  C      -4.689999      0.285339      0.171362
  C      -5.561473     -0.326038     -0.710190
  C      -5.685770      0.164573     -2.030479
  N      -5.011986      1.195791     -2.515750
  C      -4.147131      1.820107     -1.665375
  C      -3.429043      2.952244     -2.132498
  C      -2.571694      3.611492     -1.279448
  C      -2.427126      3.131794      0.038402
  N      -3.075520      2.079984      0.522305
  C      -3.934530      1.413704     -0.302493
  C      -3.841814      5.256713      5.677377
  C      -4.926333      5.481920      4.619867
  C      -4.361427      5.907938      3.258519
  O      -5.143984      5.371745      2.181819
  C      -6.390618      5.785766      1.909138
  C      -6.981355      6.969010      2.320406
  C      -8.270411      7.284871      1.832847
  N      -8.957369      6.553899      0.965711
  C      -8.391938      5.371530      0.578464
  C      -9.081692      4.541616     -0.339696
  C      -8.549010      3.313112     -0.659768
  C      -7.351660      2.902831     -0.029883
  N      -6.645040      3.651841      0.800917
  C      -7.135580      4.898143      1.072181
  C      -6.370776      1.997671      6.119768
  C      -7.091634      3.198840      6.782801
  C      -8.339666      3.580347      6.010327
  O      -7.970356      4.053236      4.691253
  C      -8.952104      3.828261      3.763848
  C      -9.980720      4.720146      3.557093
  C     -10.971678      4.411139      2.593621
  N     -10.985487      3.310054      1.857453
  C      -9.963388      2.424608      2.043152
  C      -9.907060      1.247387      1.258131
  C      -8.864989      0.365169      1.440082
  C      -7.854050      0.677451      2.381722
  N      -7.860993      1.768449      3.134305
  C      -8.900852      2.633128      2.980925
  H      -4.104738     -1.230805      5.280861
  H      -4.875019     -0.084153      4.152260
  H      -2.599358     -2.007595      3.391450
  H      -4.337297     -2.236799      3.049909
  H      -2.929485     -1.343473      1.117769
  H      -2.674366      0.156803      2.066109
  H      -6.151424     -1.180422     -0.375601
  H      -6.378167     -0.325282     -2.722629
  H      -3.589665      3.277328     -3.161870
  H      -2.008467      4.493659     -1.583907
  H      -1.752212      3.637481      0.738186
  H      -3.240234      6.180470      5.762919
  H      -4.342585      5.097449      6.652341
  H      -5.631483      6.242715      4.982181
  H      -5.490611      4.544383      4.481386
  H      -3.371257      5.464492      3.072509
  H      -4.271703      7.004245      3.179662
  H      -6.470660      7.661825      2.989576
  H      -8.744420      8.218217      2.154221
  H     -10.032402      4.889990     -0.745042
  H      -9.058398      2.630537     -1.343377
  H      -6.964762      1.893598     -0.203798
  H      -6.724709      1.067139      6.602576
  H      -6.662653      1.957234      5.060637
  H      -6.408734      4.062014      6.819208
  H      -7.401018      2.962740      7.812398
  H      -8.901374      4.377154      6.526392
  H      -9.000127      2.702113      5.908656
  H     -10.019218      5.656491      4.116844
  H     -11.786730      5.118276      2.413091
  H     -10.687469      1.082314      0.513406
  H      -8.793374     -0.549137      0.848319
  H      -6.982274      0.019614      2.493940
  N      -4.495066      2.593036      3.230012
  N      -5.049655      2.784930      2.182370
  H      -4.436050      3.173879      1.442550
101
Coordinates from ORCA-job orca E -6484.081489383766
  N      -2.929723      0.428539      4.686330
  Mo     -3.573564      2.293930      4.879133
  N      -4.940589      2.047399      6.229253
  C      -4.462380      1.871521      7.611013
  C      -3.074381      1.239812      7.642589
  N      -2.193582      1.925561      6.660545
  C      -1.099238      1.045217      6.177666
  C      -1.659503     -0.026726      5.226228
  C      -1.631882      3.195144      7.200249
  C      -1.632898      4.194434      6.042236
  N      -2.952197      4.132662      5.420208
  H      -0.916518     -0.195794      4.427581
  H      -1.800165     -0.992784      5.745106
  H      -0.391580      1.687279      5.634304
  H      -0.566200      0.586087      7.026089
  H      -1.404415      5.209730      6.401147
  H      -0.848201      3.917911      5.317394
  H      -2.290077      3.562513      7.998508
  H      -0.626966      3.029496      7.620140
  H      -5.157970      1.216627      8.162233
  H      -4.455592      2.845945      8.133958
  H      -3.154436      0.184320      7.351957
  H      -2.635304      1.289159      8.652660
  C      -3.897403     -0.614050      4.367487
  C      -3.468984     -1.494601      3.175030
  C      -3.278894     -0.725822      1.880151
  O      -4.582142     -0.285456      1.408714
  C      -4.648666      0.159449      0.122218
  C      -5.489423     -0.498226     -0.756868
  C      -5.634414     -0.025639     -2.080025
  N      -5.013249      1.034474     -2.571166
  C      -4.182312      1.704272     -1.721790
  C      -3.530061      2.873697     -2.190099
  C      -2.712530      3.582412     -1.338692
  C      -2.538166      3.111434     -0.020924
  N      -3.127047      2.027552      0.465230
  C      -3.947628      1.315574     -0.359637
  C      -3.832103      5.272102      5.685177
  C      -4.912696      5.506905      4.626838
  C      -4.347255      5.944821      3.271043
  O      -5.130450      5.428817      2.182073
  C      -6.379838      5.855618      1.926825
  C      -6.961914      7.031276      2.370361
  C      -8.252371      7.364373      1.899263
  N      -8.950845      6.662271      1.019255
  C      -8.396714      5.484961      0.601885
  C      -9.097726      4.674163     -0.324533
  C      -8.577705      3.445429     -0.664542
  C      -7.378484      3.016858     -0.050307
  N      -6.664362      3.750870      0.786296
  C      -7.142723      4.992573      1.076606
  C      -6.390594      2.011868      6.125438
  C      -7.107729      3.211769      6.789128
  C      -8.360246      3.585953      6.022065
  O      -7.992500      4.056467      4.700500
  C      -8.966275      3.817338      3.766996
  C     -10.000850      4.699447      3.549087
  C     -10.984237      4.377572      2.583246
  N     -10.984626      3.276878      1.849481
  C      -9.950697      2.406013      2.037081
  C      -9.868399      1.239610      1.238606
  C      -8.809361      0.376543      1.412034
  C      -7.810864      0.695293      2.363640
  N      -7.844714      1.774106      3.131396
  C      -8.897657      2.623070      2.981562
  H      -4.061955     -1.254772      5.254666
  H      -4.854304     -0.132507      4.120022
  H      -2.510614     -1.988187      3.400252
  H      -4.229666     -2.277715      3.030292
  H      -2.823928     -1.371686      1.112710
  H      -2.637710      0.155087      2.033075
  H      -6.039134     -1.376413     -0.417186
  H      -6.301266     -0.555950     -2.766752
  H      -3.711770      3.187338     -3.219007
  H      -2.204467      4.497310     -1.641329
  H      -1.893762      3.658016      0.675205
  H      -3.220598      6.188263      5.778634
  H      -4.337915      5.118158      6.658487
  H      -5.613336      6.266715      4.999320
  H      -5.487615      4.578462      4.480232
  H      -3.358616      5.501410      3.079697
  H      -4.254299      7.041270      3.203687
  H      -6.443286      7.705299      3.051499
  H      -8.715671      8.292610      2.248447
  H     -10.049529      5.034268     -0.715937
  H      -9.101631      2.774003     -1.347050
  H      -7.003878      2.007457     -0.239743
  H      -6.746570      1.079314      6.602663
  H      -6.674677      1.973202      5.064444
  H      -6.425722      4.074991      6.827491
  H      -7.413680      2.977088      7.819997
  H      -8.926147      4.379674      6.537594
  H      -9.017294      2.705347      5.921482
  H     -10.048393      5.640318      4.099026
  H     -11.803185      5.078974      2.400093
  H     -10.637470      1.074958      0.482549
  H      -8.713196     -0.525455      0.806098
  H      -6.925236      0.054969      2.463157
  N      -4.476782      2.599663      3.293289
  N      -5.016840      2.799547      2.228723
  H      -4.403664      3.180052      1.485880
101
Coordinates from ORCA-job orca E -6484.089720901334
  N      -2.916791      0.416503      4.706331
  Mo     -3.580121      2.277605      4.913825
  N      -4.954300      2.041454      6.255183
  C      -4.472483      1.875191      7.636740
  C      -3.083410      1.243349      7.674203
  N      -2.195949      1.922602      6.693210
  C      -1.099852      1.041645      6.214500
  C      -1.650638     -0.032133      5.261047
  C      -1.639279      3.201468      7.218192
  C      -1.635720      4.185179      6.046154
  N      -2.951558      4.124175      5.415684
  H      -0.899865     -0.200419      4.469177
  H      -1.791569     -0.999397      5.777845
  H      -0.391683      1.686152      5.674851
  H      -0.566260      0.588030      7.065559
  H      -1.405512      5.205372      6.389695
  H      -0.847369      3.897568      5.329996
  H      -2.300575      3.574688      8.011040
  H      -0.636354      3.040573      7.644286
  H      -5.169107      1.224003      8.191072
  H      -4.468216      2.852816      8.152845
  H      -3.158945      0.186705      7.386711
  H      -2.648640      1.297348      8.685884
  C      -3.861449     -0.636497      4.354152
  C      -3.428944     -1.485454      3.144415
  C      -3.251436     -0.686124      1.868290
  O      -4.566434     -0.232256      1.441796
  C      -4.686361      0.239033      0.170060
  C      -5.616750     -0.355696     -0.663635
  C      -5.828838      0.155163     -1.961488
  N      -5.191255      1.196341     -2.471013
  C      -4.270859      1.801568     -1.667149
  C      -3.595661      2.948730     -2.154871
  C      -2.683602      3.592989     -1.350323
  C      -2.437678      3.076954     -0.060422
  N      -3.046468      2.012917      0.444307
  C      -3.961404      1.368079     -0.334892
  C      -3.830734      5.269093      5.656542
  C      -4.908701      5.486695      4.591418
  C      -4.338880      5.912993      3.234661
  O      -5.110290      5.395691      2.134064
  C      -6.358308      5.833726      1.875841
  C      -6.931863      7.010634      2.326647
  C      -8.217842      7.358533      1.854420
  N      -8.923379      6.670761      0.969688
  C      -8.381544      5.490397      0.544965
  C      -9.088875      4.684513     -0.382024
  C      -8.579277      3.450593     -0.723358
  C      -7.381029      3.012745     -0.114226
  N      -6.666237      3.744757      0.723440
  C      -7.132961      4.985775      1.016536
  C      -6.403328      2.003711      6.141145
  C      -7.118569      3.207256      6.797114
  C      -8.377859      3.569243      6.036034
  O      -8.005677      4.022217      4.710326
  C      -8.965558      3.773126      3.764097
  C      -9.985875      4.663175      3.510806
  C     -10.951627      4.339288      2.529575
  N     -10.947864      3.230439      1.809564
  C      -9.925158      2.353796      2.027868
  C      -9.831047      1.184177      1.235861
  C      -8.779593      0.316551      1.435864
  C      -7.804963      0.631994      2.411659
  N      -7.851937      1.712395      3.175315
  C      -8.893056      2.569099      2.994932
  H      -4.019276     -1.293438      5.230750
  H      -4.825779     -0.164852      4.115329
  H      -2.469539     -1.983296      3.355832
  H      -4.184735     -2.269976      2.984749
  H      -2.812579     -1.312409      1.075909
  H      -2.606905      0.190635      2.028974
  H      -6.186496     -1.213195     -0.305063
  H      -6.566869     -0.327057     -2.609536
  H      -3.835462      3.296658     -3.160351
  H      -2.154122      4.490115     -1.669261
  H      -1.716106      3.573126      0.596059
  H      -3.215449      6.183154      5.742270
  H      -4.340638      5.134088      6.630841
  H      -5.610520      6.248031      4.958748
  H      -5.488079      4.561214      4.453230
  H      -3.348740      5.468531      3.057974
  H      -4.244866      7.008603      3.158576
  H      -6.409916      7.675657      3.013550
  H      -8.671150      8.288541      2.211902
  H     -10.039053      5.051085     -0.771086
  H      -9.113158      2.781976     -1.400371
  H      -7.013852      2.000635     -0.305696
  H      -6.759270      1.072513      6.621205
  H      -6.680863      1.957145      5.078588
  H      -6.438570      4.071984      6.826084
  H      -7.416779      2.982975      7.832653
  H      -8.944879      4.366521      6.544475
  H      -9.033871      2.687132      5.944344
  H     -10.032597      5.613936      4.042040
  H     -11.758061      5.048645      2.323086
  H     -10.579922      1.025369      0.458771
  H      -8.670835     -0.586538      0.834150
  H      -6.926031     -0.013130      2.532040
  N      -4.465086      2.567079      3.336141
  N      -4.988098      2.752415      2.257710
  H      -4.374503      3.113631      1.507713
101
Coordinates from ORCA-job orca E -6484.096306255637
  N      -2.906912      0.416780      4.728964
  Mo     -3.589999      2.270095      4.961150
  N      -4.968425      2.041066      6.293413
  C      -4.483740      1.877673      7.673946
  C      -3.094408      1.244075      7.712238
  N      -2.199682      1.919578      6.734686
  C      -1.102383      1.040733      6.257813
  C      -1.646034     -0.029711      5.299315
  C      -1.647337      3.205020      7.248280
  C      -1.634889      4.175036      6.065375
  N      -2.946459      4.118856      5.425574
  H      -0.887693     -0.198654      4.514481
  H      -1.790220     -0.998857      5.812231
  H      -0.392428      1.688357      5.724359
  H      -0.569279      0.588384      7.109993
  H      -1.400220      5.198204      6.397157
  H      -0.843209      3.876752      5.357377
  H      -2.312103      3.583612      8.035680
  H      -0.646869      3.047434      7.681206
  H      -5.181097      1.228404      8.229874
  H      -4.479470      2.856048      8.188032
  H      -3.167755      0.187764      7.423019
  H      -2.663884      1.297306      8.725919
  C      -3.822268     -0.650144      4.342470
  C      -3.351807     -1.482159      3.139077
  C      -3.183623     -0.680420      1.863604
  O      -4.513204     -0.285289      1.419415
  C      -4.649870      0.171683      0.144553
  C      -5.566927     -0.459491     -0.678392
  C      -5.801202      0.030862     -1.978651
  N      -5.202657      1.089757     -2.499612
  C      -4.299718      1.732587     -1.706162
  C      -3.676091      2.904416     -2.202916
  C      -2.785722      3.588554     -1.407188
  C      -2.507150      3.086050     -0.118275
  N      -3.068652      2.000542      0.395822
  C      -3.964113      1.318073     -0.374436
  C      -3.817382      5.273451      5.650007
  C      -4.896582      5.485439      4.586524
  C      -4.327310      5.899955      3.227354
  O      -5.100683      5.390845      2.122656
  C      -6.347024      5.847269      1.879860
  C      -6.902961      7.021360      2.358999
  C      -8.187235      7.395777      1.903574
  N      -8.909214      6.736865      1.011645
  C      -8.388346      5.558209      0.558139
  C      -9.113228      4.778047     -0.377186
  C      -8.623912      3.543444     -0.745296
  C      -7.426324      3.078014     -0.157080
  N      -6.697253      3.788860      0.687044
  C      -7.142554      5.028647      1.008083
  C      -6.415613      2.004481      6.162395
  C      -7.131639      3.211821      6.805536
  C      -8.393531      3.567612      6.043492
  O      -8.023131      4.017269      4.715747
  C      -8.976048      3.764157      3.762445
  C      -9.996588      4.655340      3.509177
  C     -10.960022      4.336893      2.525714
  N     -10.953379      3.232695      1.799106
  C      -9.926143      2.360115      2.008785
  C      -9.824182      1.203048      1.199730
  C      -8.762374      0.343332      1.382739
  C      -7.792528      0.650544      2.364114
  N      -7.851520      1.714975      3.149267
  C      -8.897226      2.568541      2.981604
  H      -3.975904     -1.316383      5.212950
  H      -4.795753     -0.201217      4.095435
  H      -2.384134     -1.956737      3.366703
  H      -4.079951     -2.290007      2.969156
  H      -2.715774     -1.294495      1.078621
  H      -2.573539      0.220136      2.021803
  H      -6.105483     -1.332449     -0.309581
  H      -6.525095     -0.483224     -2.617902
  H      -3.939568      3.238621     -3.206973
  H      -2.300422      4.507621     -1.733941
  H      -1.800989      3.614854      0.529237
  H      -3.192274      6.181425      5.726733
  H      -4.327296      5.158582      6.627200
  H      -5.591886      6.252283      4.955496
  H      -5.487782      4.567344      4.459380
  H      -3.340450      5.446831      3.056029
  H      -4.224266      6.994150      3.145390
  H      -6.369301      7.666538      3.055381
  H      -8.624051      8.324052      2.285393
  H     -10.061767      5.163531     -0.751627
  H      -9.174816      2.895453     -1.427869
  H      -7.075802      2.065151     -0.369944
  H      -6.777994      1.074735      6.640718
  H      -6.679263      1.953361      5.096799
  H      -6.453830      4.078196      6.829770
  H      -7.426803      2.995680      7.843949
  H      -8.960637      4.366238      6.549394
  H      -9.050166      2.685798      5.954928
  H     -10.044374      5.604299      4.043298
  H     -11.767721      5.046735      2.326027
  H     -10.572121      1.051257      0.420377
  H      -8.643711     -0.547569      0.765475
  H      -6.907236      0.011672      2.471780
  N      -4.477629      2.554273      3.381767
  N      -4.988696      2.735974      2.297535
  H      -4.378113      3.088399      1.541914
101
Coordinates from ORCA-job orca E -6484.101632586719
  N      -2.893173      0.414466      4.749935
  Mo     -3.598308      2.256301      5.004060
  N      -4.981896      2.033002      6.327349
  C      -4.497544      1.873390      7.708335
  C      -3.107770      1.241960      7.748253
  N      -2.206927      1.915779      6.773865
  C      -1.105899      1.039335      6.301595
  C      -1.639077     -0.030308      5.339091
  C      -1.662289      3.209147      7.276597
  C      -1.636097      4.163291      6.082477
  N      -2.940722      4.107596      5.427093
  H      -0.871523     -0.203165      4.563883
  H      -1.789325     -0.999372      5.851338
  H      -0.393327      1.689420      5.774483
  H      -0.575289      0.588953      7.156669
  H      -1.398968      5.189821      6.402984
  H      -0.837896      3.854167      5.386242
  H      -2.334394      3.594084      8.054891
  H      -0.665435      3.057778      7.720800
  H      -5.193714      1.224010      8.266278
  H      -4.495086      2.852669      8.220893
  H      -3.177462      0.185627      7.457589
  H      -2.682533      1.295162      8.764560
  C      -3.784893     -0.661911      4.330808
  C      -3.287962     -1.463864      3.118887
  C      -3.144424     -0.643736      1.851826
  O      -4.489150     -0.286107      1.417176
  C      -4.656701      0.172091      0.147508
  C      -5.600812     -0.456263     -0.647242
  C      -5.873280      0.035417     -1.939532
  N      -5.289279      1.095132     -2.477582
  C      -4.361916      1.736036     -1.710987
  C      -3.755697      2.911367     -2.222317
  C      -2.841700      3.593824     -1.451814
  C      -2.521118      3.086539     -0.174186
  N      -3.064463      1.997806      0.353345
  C      -3.984369      1.317608     -0.391077
  C      -3.803899      5.273923      5.630016
  C      -4.881546      5.481822      4.564658
  C      -4.309615      5.882332      3.202878
  O      -5.083770      5.374504      2.096817
  C      -6.327938      5.838522      1.858843
  C      -6.878602      7.007832      2.356186
  C      -8.160966      7.397385      1.906883
  N      -8.887428      6.755931      1.006238
  C      -8.372968      5.581584      0.533406
  C      -9.105378      4.819583     -0.410515
  C      -8.626005      3.588047     -0.800054
  C      -7.426770      3.106933     -0.227962
  N      -6.691331      3.800501      0.625958
  C      -7.127577      5.038063      0.972192
  C      -6.428693      1.996137      6.184206
  C      -7.148354      3.203492      6.821337
  C      -8.412828      3.551582      6.060702
  O      -8.041042      4.000609      4.733944
  C      -8.985111      3.746478      3.774163
  C      -9.998290      4.642788      3.507524
  C     -10.950862      4.329952      2.511314
  N     -10.937340      3.226967      1.781513
  C      -9.913477      2.352441      2.001303
  C      -9.797898      1.202859      1.183157
  C      -8.737146      0.343304      1.374049
  C      -7.785564      0.639752      2.377177
  N      -7.858897      1.695273      3.173143
  C      -8.899530      2.552759      2.993076
  H      -3.930308     -1.346254      5.188882
  H      -4.767740     -0.231346      4.086958
  H      -2.310515     -1.919253      3.345257
  H      -3.992770     -2.289779      2.936557
  H      -2.666049     -1.237362      1.057361
  H      -2.558970      0.272061      2.013019
  H      -6.129065     -1.328997     -0.262477
  H      -6.616211     -0.478351     -2.557429
  H      -4.051908      3.249158     -3.216358
  H      -2.371099      4.515996     -1.791755
  H      -1.794879      3.614491      0.451895
  H      -3.168872      6.176158      5.695116
  H      -4.315349      5.182016      6.609097
  H      -5.570757      6.255891      4.931340
  H      -5.484038      4.569756      4.448814
  H      -3.325235      5.420925      3.039060
  H      -4.197048      6.975083      3.112839
  H      -6.343205      7.640729      3.062706
  H      -8.591738      8.322237      2.304659
  H     -10.053974      5.215667     -0.774749
  H      -9.187750      2.953394     -1.487062
  H      -7.083671      2.095794     -0.459352
  H      -6.795489      1.066010      6.658566
  H      -6.680958      1.944422      5.115622
  H      -6.475162      4.074064      6.840534
  H      -7.437789      2.992151      7.862782
  H      -8.981777      4.349979      6.565210
  H      -9.067211      2.667922      5.973009
  H     -10.046785      5.593161      4.039991
  H     -11.754158      5.043244      2.304361
  H     -10.531981      1.060016      0.388596
  H      -8.606149     -0.540697      0.748888
  H      -6.902146     -0.000435      2.494473
  N      -4.481974      2.530366      3.415861
  N      -4.973478      2.702632      2.327152
  H      -4.360575      3.047837      1.568716
101
Coordinates from ORCA-job orca E -6484.106030295961
  N      -2.888141      0.409282      4.773133
  Mo     -3.610975      2.238752      5.046921
  N      -4.994218      2.027244      6.368454
  C      -4.508788      1.875571      7.749946
  C      -3.119319      1.244531      7.788417
  N      -2.216273      1.912177      6.810168
  C      -1.114765      1.033503      6.343129
  C      -1.642563     -0.037439      5.381355
  C      -1.674686      3.212961      7.297049
  C      -1.633185      4.147159      6.089280
  N      -2.932344      4.090761      5.421056
  H      -0.867480     -0.219922      4.615912
  H      -1.802972     -1.003553      5.896744
  H      -0.398864      1.681724      5.818341
  H      -0.586956      0.585618      7.201403
  H      -1.390757      5.176766      6.396017
  H      -0.830831      3.823730      5.404207
  H      -2.352326      3.609387      8.064832
  H      -0.681476      3.067345      7.752088
  H      -5.202272      1.228719      8.314500
  H      -4.504988      2.857295      8.257933
  H      -3.189192      0.187374      7.500409
  H      -2.694370      1.300029      8.805042
  C      -3.760500     -0.670673      4.319055
  C      -3.233489     -1.439349      3.098521
  C      -3.104929     -0.596965      1.844594
  O      -4.458762     -0.276809      1.405527
  C      -4.640103      0.178714      0.137738
  C      -5.589902     -0.459333     -0.642930
  C      -5.875976      0.020138     -1.936893
  N      -5.301730      1.078317     -2.489325
  C      -4.371817      1.730622     -1.735514
  C      -3.777849      2.906409     -2.260491
  C      -2.861664      3.600524     -1.503197
  C      -2.526583      3.105749     -0.224397
  N      -3.057466      2.016768      0.315764
  C      -3.979364      1.324431     -0.415450
  C      -3.781994      5.272051      5.602688
  C      -4.862506      5.474708      4.540427
  C      -4.293680      5.849056      3.170439
  O      -5.079938      5.339313      2.073518
  C      -6.320534      5.815765      1.845177
  C      -6.857010      6.984985      2.358566
  C      -8.138889      7.393071      1.923946
  N      -8.879049      6.766800      1.023912
  C      -8.377883      5.593186      0.534360
  C      -9.127189      4.850875     -0.411248
  C      -8.663276      3.621682     -0.824074
  C      -7.460736      3.123350     -0.273684
  N      -6.709452      3.797154      0.582367
  C      -7.131658      5.033193      0.954136
  C      -6.440761      1.992537      6.216287
  C      -7.161553      3.206066      6.837798
  C      -8.425884      3.546370      6.073326
  O      -8.053629      3.991692      4.744983
  C      -8.995254      3.739579      3.783038
  C     -10.006947      4.638372      3.518170
  C     -10.959206      4.331448      2.519278
  N     -10.945160      3.231916      1.783544
  C      -9.920048      2.357480      1.998295
  C      -9.802798      1.213740      1.171896
  C      -8.739135      0.356672      1.354396
  C      -7.789646      0.645593      2.362491
  N      -7.867326      1.691792      3.170260
  C      -8.907934      2.550714      2.994777
  H      -3.904632     -1.375469      5.160673
  H      -4.748317     -0.252742      4.073875
  H      -2.248440     -1.876461      3.327155
  H      -3.915369     -2.280222      2.896540
  H      -2.607885     -1.167202      1.044418
  H      -2.546253      0.332755      2.018423
  H      -6.108431     -1.332932     -0.246798
  H      -6.620313     -0.503376     -2.545072
  H      -4.085086      3.234963     -3.254460
  H      -2.402081      4.523526     -1.856263
  H      -1.798137      3.643266      0.391061
  H      -3.133975      6.166488      5.646344
  H      -4.288596      5.209787      6.586510
  H      -5.539799      6.261722      4.902381
  H      -5.479346      4.570026      4.444620
  H      -3.315773      5.372986      3.009905
  H      -4.166132      6.938959      3.065229
  H      -6.311506      7.606060      3.067915
  H      -8.557079      8.317771      2.335618
  H     -10.075710      5.260974     -0.760473
  H      -9.238094      3.003373     -1.515301
  H      -7.127490      2.113930     -0.525674
  H      -6.815212      1.066187      6.692136
  H      -6.682354      1.935329      5.145484
  H      -6.490678      4.079213      6.845776
  H      -7.447099      3.007368      7.882976
  H      -8.994374      4.348057      6.573414
  H      -9.080572      2.662469      5.989865
  H     -10.054993      5.586115      4.055652
  H     -11.763822      5.044757      2.317170
  H     -10.538582      1.074085      0.378089
  H      -8.605537     -0.521448      0.721369
  H      -6.905934      0.005445      2.476889
  N      -4.500322      2.498116      3.454220
  N      -4.980988      2.657663      2.362598
  H      -4.370160      2.988836      1.593690
101
Coordinates from ORCA-job orca E -6484.109762239156
  N      -2.878068      0.408748      4.794205
  Mo     -3.620692      2.222942      5.088746
  N      -5.005866      2.016867      6.407357
  C      -4.524005      1.868731      7.790312
  C      -3.133581      1.240491      7.828755
  N      -2.229507      1.907455      6.849816
  C      -1.124386      1.029642      6.388880
  C      -1.643521     -0.041421      5.424228
  C      -1.694384      3.213823      7.327736
  C      -1.633108      4.132420      6.110023
  N      -2.923612      4.074469      5.422556
  H      -0.858718     -0.232700      4.671012
  H      -1.816611     -1.004652      5.941344
  H      -0.404710      1.677949      5.869651
  H      -0.601917      0.582037      7.250633
  H      -1.388803      5.163945      6.408388
  H      -0.823370      3.798831      5.438596
  H      -2.381949      3.618935      8.082072
  H      -0.707236      3.073984      7.798200
  H      -5.215125      1.221187      8.357075
  H      -4.522012      2.850950      8.297382
  H      -3.201775      0.183390      7.539898
  H      -2.709632      1.295508      8.845984
  C      -3.731651     -0.672453      4.304929
  C      -3.177755     -1.405716      3.073947
  C      -3.074884     -0.542563      1.831642
  O      -4.439326     -0.269363      1.391357
  C      -4.638872      0.179541      0.124151
  C      -5.590513     -0.474740     -0.641328
  C      -5.893731     -0.010755     -1.936883
  N      -5.336175      1.048307     -2.504941
  C      -4.408116      1.718794     -1.765114
  C      -3.834450      2.898101     -2.304585
  C      -2.922254      3.611770     -1.560619
  C      -2.571228      3.134572     -0.279860
  N      -3.081523      2.041976      0.272695
  C      -3.998422      1.329272     -0.444958
  C      -3.760539      5.269674      5.581880
  C      -4.840382      5.470019      4.518737
  C      -4.271728      5.823253      3.142811
  O      -5.066492      5.313421      2.052314
  C      -6.304893      5.796834      1.826976
  C      -6.835838      6.962652      2.354382
  C      -8.116858      7.381916      1.929048
  N      -8.862596      6.767360      1.025465
  C      -8.365749      5.598485      0.520144
  C      -9.123808      4.873272     -0.431619
  C      -8.666202      3.650088     -0.867651
  C      -7.459976      3.142038     -0.334894
  N      -6.700848      3.797563      0.528592
  C      -7.118420      5.028593      0.926322
  C      -6.452196      1.984077      6.246758
  C      -7.174462      3.200212      6.860534
  C      -8.438635      3.536522      6.094583
  O      -8.063105      3.983131      4.767701
  C      -9.001718      3.735830      3.802002
  C     -10.009203      4.638918      3.535140
  C     -10.955623      4.340388      2.528071
  N     -10.937770      3.245931      1.784604
  C      -9.915338      2.368608      2.000289
  C      -9.792350      1.231936      1.164841
  C      -8.730532      0.373029      1.347784
  C      -7.791057      0.650195      2.368938
  N      -7.875719      1.687589      3.187123
  C      -8.911784      2.551271      3.007704
  H      -3.873233     -1.398986      5.128055
  H      -4.723949     -0.265855      4.059580
  H      -2.182084     -1.818912      3.300224
  H      -3.833772     -2.263211      2.856000
  H      -2.557660     -1.086141      1.025732
  H      -2.549651      0.404080      2.016378
  H      -6.093881     -1.351553     -0.232818
  H      -6.636686     -0.548549     -2.534314
  H      -4.154088      3.214171     -3.298754
  H      -2.480009      4.538243     -1.926653
  H      -1.846999      3.688191      0.326228
  H      -3.100739      6.156270      5.607265
  H      -4.264335      5.234443      6.568299
  H      -5.507400      6.268655      4.874389
  H      -5.469126      4.572311      4.437386
  H      -3.299513      5.334835      2.985211
  H      -4.131033      6.910577      3.026790
  H      -6.286653      7.573689      3.069468
  H      -8.529913      8.303512      2.352682
  H     -10.073078      5.292271     -0.768062
  H      -9.247247      3.044536     -1.564913
  H      -7.128954      2.137290     -0.608186
  H      -6.833718      1.059184      6.719629
  H      -6.684507      1.927391      5.173752
  H      -6.505790      4.075452      6.860511
  H      -7.455996      3.008862      7.908113
  H      -9.007175      4.339010      6.593524
  H      -9.092943      2.652503      6.010120
  H     -10.057575      5.583840      4.077596
  H     -11.758471      5.055500      2.325210
  H     -10.522422      1.099520      0.364404
  H      -8.591780     -0.498881      0.707188
  H      -6.909949      0.007259      2.487548
  N      -4.509377      2.470503      3.490067
  N      -4.976915      2.620304      2.392964
  H      -4.364091      2.943702      1.621890
101
Coordinates from ORCA-job orca E -6484.113034785390
  N      -2.869718      0.406800      4.815814
  Mo     -3.631131      2.205696      5.128903
  N      -5.016611      2.007130      6.448167
  C      -4.538372      1.864848      7.832687
  C      -3.147309      1.237792      7.871470
  N      -2.243922      1.901781      6.888822
  C      -1.135961      1.023159      6.434910
  C      -1.648272     -0.048578      5.469079
  C      -1.713534      3.213069      7.357001
  C      -1.632132      4.115848      6.129481
  N      -2.914131      4.055766      5.423270
  H      -0.853772     -0.250794      4.729179
  H      -1.836637     -1.007555      5.989039
  H      -0.412161      1.670004      5.919936
  H      -0.619524      0.575904      7.300466
  H      -1.386454      5.149222      6.419753
  H      -0.815468      3.772290      5.471716
  H      -2.411128      3.628476      8.096422
  H      -0.733301      3.078487      7.843776
  H      -5.227883      1.218386      8.402667
  H      -4.537222      2.848688      8.336706
  H      -3.215848      0.180191      7.584089
  H      -2.721705      1.293830      8.888015
  C      -3.703457     -0.673304      4.288243
  C      -3.121712     -1.365488      3.045816
  C      -3.043561     -0.477478      1.819235
  O      -4.416295     -0.251817      1.376643
  C      -4.632558      0.190601      0.110269
  C      -5.579999     -0.482839     -0.644160
  C      -5.894655     -0.036677     -1.943005
  N      -5.352062      1.022566     -2.525407
  C      -4.431843      1.714157     -1.795335
  C      -3.875463      2.894759     -2.349469
  C      -2.973227      3.630991     -1.615493
  C      -2.616438      3.176945     -0.328217
  N      -3.108943      2.082462      0.236667
  C      -4.013610      1.345704     -0.471687
  C      -3.737748      5.263991      5.559835
  C      -4.818205      5.458072      4.496882
  C      -4.250338      5.784120      3.113837
  O      -5.055221      5.271553      2.032679
  C      -6.289169      5.767189      1.809922
  C      -6.806552      6.935570      2.345556
  C      -8.085910      7.369380      1.931486
  N      -8.843919      6.764151      1.031624
  C      -8.358846      5.594711      0.516123
  C      -9.131016      4.884611     -0.435834
  C      -8.684518      3.664274     -0.890547
  C      -7.475327      3.144999     -0.375695
  N      -6.703431      3.784439      0.488684
  C      -7.111769      5.012514      0.906924
  C      -6.462617      1.978732      6.279512
  C      -7.182944      3.202832      6.878171
  C      -8.444907      3.534742      6.106276
  O      -8.063704      3.975918      4.778595
  C      -9.002428      3.735709      3.810783
  C     -10.006982      4.643149      3.547793
  C     -10.953653      4.352932      2.538446
  N     -10.938202      3.262684      1.788773
  C      -9.917969      2.381628      1.999712
  C      -9.799093      1.247855      1.159506
  C      -8.738907      0.386154      1.336780
  C      -7.799659      0.654838      2.360529
  N      -7.882839      1.686425      3.186041
  C      -8.915034      2.555246      3.009387
  H      -3.843464     -1.423287      5.090004
  H      -4.699167     -0.276485      4.041221
  H      -2.115531     -1.753525      3.269638
  H      -3.750173     -2.238197      2.807353
  H      -2.503449     -0.988664      1.007245
  H      -2.554635      0.484707      2.021145
  H      -6.067978     -1.363595     -0.225367
  H      -6.631792     -0.590975     -2.532603
  H      -4.200142      3.194233     -3.347192
  H      -2.545234      4.558944     -1.994701
  H      -1.902421      3.749629      0.272138
  H      -3.066554      6.142461      5.563431
  H      -4.236758      5.257391      6.549197
  H      -5.474228      6.269834      4.843017
  H      -5.458247      4.567083      4.432485
  H      -3.284885      5.281374      2.960406
  H      -4.095522      6.868029      2.983164
  H      -6.247289      7.537666      3.060392
  H      -8.487898      8.292487      2.362401
  H     -10.079718      5.314866     -0.759450
  H      -9.273090      3.071606     -1.592356
  H      -7.149427      2.143896     -0.668468
  H      -6.853576      1.058431      6.753481
  H      -6.686332      1.918657      5.204858
  H      -6.512936      4.077367      6.865554
  H      -7.463031      3.025871      7.928638
  H      -9.012761      4.341247      6.599603
  H      -9.100815      2.651793      6.023754
  H     -10.053675      5.584414      4.096736
  H     -11.756019      5.069834      2.339818
  H     -10.532755      1.118296      0.361849
  H      -8.602576     -0.482906      0.691742
  H      -6.921696      0.007785      2.477954
  N      -4.522230      2.439862      3.529837
  N      -4.983637      2.575004      2.429435
  H      -4.369453      2.882518      1.650759
101
Coordinates from ORCA-job orca E -6484.115975522738
  N      -2.857455      0.406634      4.835897
  Mo     -3.638699      2.189709      5.166747
  N      -5.026815      1.995333      6.485588
  C      -4.555526      1.856152      7.872168
  C      -3.163999      1.230046      7.913808
  N      -2.260645      1.893432      6.930288
  C      -1.148088      1.015800      6.484379
  C      -1.651660     -0.055280      5.514636
  C      -1.737134      3.208379      7.393897
  C      -1.633288      4.099483      6.160146
  N      -2.904270      4.037383      5.431685
  H      -0.845987     -0.267910      4.790063
  H      -1.857421     -1.010127      6.035756
  H      -0.419673      1.662506      5.976213
  H      -0.639612      0.567294      7.353947
  H      -1.389286      5.134128      6.446726
  H      -0.807600      3.749632      5.517384
  H      -2.447543      3.631853      8.116380
  H      -0.765916      3.078581      7.900001
  H      -5.245446      1.209949      8.441938
  H      -4.556353      2.840809      8.374675
  H      -3.232538      0.172382      7.626193
  H      -2.737986      1.285691      8.930158
  C      -3.669093     -0.671562      4.268914
  C      -3.060592     -1.318882      3.014908
  C      -3.016398     -0.406504      1.803978
  O      -4.397233     -0.237878      1.360108
  C      -4.634691      0.194160      0.093907
  C      -5.571371     -0.506872     -0.649029
  C      -5.901472     -0.081367     -1.950625
  N      -5.383767      0.982608     -2.547165
  C      -4.478332      1.703520     -1.827348
  C      -3.951215      2.890601     -2.395648
  C      -3.068010      3.658434     -1.670929
  C      -2.702715      3.231312     -0.377269
  N      -3.165711      2.129966      0.198898
  C      -4.048781      1.360013     -0.500689
  C      -3.716880      5.256093      5.545871
  C      -4.795306      5.444621      4.480153
  C      -4.224483      5.748257      3.092684
  O      -5.035069      5.235053      2.016568
  C      -6.264019      5.742781      1.791469
  C      -6.770518      6.913874      2.332212
  C      -8.047019      7.360157      1.924721
  N      -8.813615      6.763141      1.026683
  C      -8.337933      5.593656      0.503068
  C      -9.120025      4.896670     -0.450747
  C      -8.681738      3.679311     -0.920776
  C      -7.470662      3.151254     -0.420159
  N      -6.690240      3.776462      0.447093
  C      -7.092410      5.000809      0.883410
  C      -6.472236      1.973169      6.308377
  C      -7.188293      3.205457      6.894684
  C      -8.448092      3.535427      6.118189
  O      -8.059666      3.969129      4.790012
  C      -8.998370      3.735823      3.820158
  C      -9.997613      4.648993      3.556819
  C     -10.941764      4.366964      2.542992
  N     -10.927844      3.280002      1.788629
  C      -9.912725      2.393229      2.000078
  C      -9.796008      1.261894      1.156313
  C      -8.740509      0.394619      1.334523
  C      -7.806174      0.653605      2.364989
  N      -7.888825      1.681318      3.195367
  C      -8.914106      2.557375      3.015306
  H      -3.805197     -1.445247      5.048059
  H      -4.668594     -0.285666      4.020550
  H      -2.041936     -1.675573      3.233880
  H      -3.656664     -2.208709      2.757235
  H      -2.451359     -0.879289      0.985916
  H      -2.571451      0.572900      2.023581
  H      -6.036032     -1.395322     -0.220071
  H      -6.627959     -0.658176     -2.531672
  H      -4.283309      3.170340     -3.396608
  H      -2.663791      4.592055     -2.061925
  H      -2.007419      3.830788      0.218554
  H      -3.036233      6.127256      5.532401
  H      -4.214117      5.273677      6.536070
  H      -5.442942      6.267058      4.816214
  H      -5.444356      4.559531      4.427342
  H      -3.264913      5.232880      2.945231
  H      -4.056741      6.828928      2.951096
  H      -6.203991      7.507913      3.047800
  H      -8.440303      8.284732      2.360298
  H     -10.067767      5.336135     -0.764326
  H      -9.275379      3.096924     -1.626698
  H      -7.147944      2.154349     -0.730453
  H      -6.873368      1.057332      6.782263
  H      -6.688329      1.911638      5.232306
  H      -6.514856      4.077323      6.869699
  H      -7.467035      3.042304      7.947608
  H      -9.014657      4.346311      6.605797
  H      -9.106308      2.654149      6.037261
  H     -10.042029      5.588167      4.109438
  H     -11.740670      5.087522      2.343834
  H     -10.528279      1.137231      0.356650
  H      -8.605139     -0.472292      0.686441
  H      -6.933032      0.000791      2.485458
  N      -4.529092      2.414432      3.565306
  N      -4.985007      2.537062      2.461398
  H      -4.365360      2.829089      1.679057
101
Coordinates from ORCA-job orca E -6484.118677228133
  N      -2.848312      0.403905      4.853485
  Mo     -3.647054      2.173437      5.198876
  N      -5.036246      1.986690      6.520662
  C      -4.570631      1.852096      7.908884
  C      -3.179750      1.224650      7.953260
  N      -2.277021      1.884296      6.966412
  C      -1.161696      1.005286      6.528737
  C      -1.659786     -0.065932      5.557931
  C      -1.757861      3.202616      7.423534
  C      -1.632551      4.081429      6.183576
  N      -2.893376      4.017606      5.435556
  H      -0.844209     -0.292375      4.848860
  H      -1.885253     -1.014838      6.081885
  H      -0.428451      1.649908      6.025263
  H      -0.660944      0.556122      7.402393
  H      -1.389876      5.117426      6.466026
  H      -0.799162      3.724880      5.554881
  H      -2.479803      3.635848      8.128662
  H      -0.795905      3.076773      7.948264
  H      -5.262032      1.208293      8.479612
  H      -4.571455      2.838464      8.408146
  H      -3.250477      0.166450      7.667533
  H      -2.751544      1.281271      8.968573
  C      -3.637616     -0.671085      4.247624
  C      -3.004814     -1.272167      2.982583
  C      -2.993771     -0.335643      1.788890
  O      -4.379374     -0.218851      1.342694
  C      -4.632944      0.204118      0.076927
  C      -5.551190     -0.524970     -0.662085
  C      -5.885661     -0.120164     -1.968956
  N      -5.387214      0.947445     -2.575672
  C      -4.504390      1.698082     -1.858310
  C      -3.999134      2.888938     -2.438075
  C      -3.143030      3.688562     -1.715298
  C      -2.786727      3.292290     -0.409511
  N      -3.226942      2.186403      0.175405
  C      -4.078235      1.381661     -0.524026
  C      -3.694794      5.245919      5.529131
  C      -4.774003      5.427624      4.463707
  C      -4.202119      5.706326      3.071294
  O      -5.020300      5.191457      2.001845
  C      -6.242652      5.714781      1.774974
  C      -6.733113      6.892360      2.317116
  C      -8.006402      7.353254      1.917491
  N      -8.786019      6.763277      1.026165
  C      -8.324824      5.590292      0.497834
  C      -9.120516      4.904734     -0.453195
  C      -8.694417      3.687809     -0.934875
  C      -7.481817      3.149586     -0.449335
  N      -6.689488      3.762527      0.415954
  C      -7.081554      4.985036      0.866614
  C      -6.481310      1.973637      6.336958
  C      -7.189426      3.217852      6.907004
  C      -8.447400      3.544672      6.125856
  O      -8.052658      3.964385      4.794784
  C      -8.993502      3.737117      3.825316
  C      -9.988706      4.655022      3.563410
  C     -10.933704      4.378781      2.548784
  N     -10.924108      3.293281      1.792298
  C      -9.913129      2.401461      2.002634
  C      -9.802679      1.269526      1.158876
  C      -8.751050      0.397346      1.336128
  C      -7.816836      0.650313      2.367964
  N      -7.895204      1.676823      3.200223
  C      -8.914571      2.559304      3.018772
  H      -3.769564     -1.467597      5.003622
  H      -4.640419     -0.294991      3.998035
  H      -1.974833     -1.597848      3.196375
  H      -3.568793     -2.176747      2.704858
  H      -2.405727     -0.767792      0.964831
  H      -2.590754      0.657067      2.028605
  H      -5.994394     -1.421657     -0.227523
  H      -6.595453     -0.719880     -2.547344
  H      -4.326381      3.146246     -3.446595
  H      -2.756195      4.625192     -2.116601
  H      -2.118939      3.919993      0.188318
  H      -3.005003      6.109488      5.497015
  H      -4.187823      5.287210      6.520767
  H      -5.412477      6.260937      4.789868
  H      -5.432053      4.548702      4.424114
  H      -3.249355      5.176970      2.930808
  H      -4.020402      6.783000      2.916815
  H      -6.155579      7.479422      3.029463
  H      -8.386851      8.282278      2.354924
  H     -10.066620      5.354630     -0.756631
  H      -9.295415      3.115257     -1.642510
  H      -7.165315      2.155517     -0.775073
  H      -6.893585      1.064901      6.814783
  H      -6.692017      1.906920      5.260220
  H      -6.510238      4.084762      6.865329
  H      -7.466231      3.073614      7.963108
  H      -9.011756      4.362224      6.604792
  H      -9.108863      2.665333      6.050869
  H     -10.030067      5.592850      4.118542
  H     -11.730084      5.102481      2.350902
  H     -10.537952      1.146188      0.361850
  H      -8.619783     -0.469924      0.687674
  H      -6.948434     -0.008295      2.489630
  N      -4.539973      2.388014      3.598243
  N      -4.996344      2.495641      2.493373
  H      -4.371614      2.763569      1.701978
101
Coordinates from ORCA-job orca E -6484.121233205152
  N      -2.833864      0.401032      4.871303
  Mo     -3.651499      2.157232      5.230087
  N      -5.043891      1.975925      6.553166
  C      -4.586117      1.844027      7.943566
  C      -3.195757      1.216030      7.992742
  N      -2.292534      1.873515      7.004839
  C      -1.173186      0.994361      6.575770
  C      -1.664034     -0.076672      5.602209
  C      -1.779371      3.194900      7.458223
  C      -1.631937      4.063716      6.214239
  N      -2.881186      3.997791      5.445625
  H      -0.837990     -0.316361      4.909716
  H      -1.909918     -1.019772      6.127586
  H      -0.435246      1.638117      6.078392
  H      -0.680761      0.544104      7.453585
  H      -1.392549      5.100944      6.494781
  H      -0.789747      3.702622      5.600335
  H      -2.514143      3.636108      8.145012
  H      -0.827801      3.073018      8.002661
  H      -5.280232      1.201629      8.512646
  H      -4.588364      2.831305      8.441113
  H      -3.267460      0.157517      7.707916
  H      -2.767214      1.273165      9.007834
  C      -3.599955     -0.669758      4.227044
  C      -2.948337     -1.223949      2.950084
  C      -2.976165     -0.266051      1.772667
  O      -4.365940     -0.199250      1.328333
  C      -4.639711      0.213039      0.063124
  C      -5.535349     -0.548836     -0.670567
  C      -5.880044     -0.164901     -1.980977
  N      -5.410593      0.910415     -2.597147
  C      -4.555019      1.695328     -1.883709
  C      -4.083107      2.894603     -2.474033
  C      -3.261018      3.731324     -1.753849
  C      -2.909480      3.366643     -0.437705
  N      -3.315775      2.252042      0.154679
  C      -4.127399      1.406642     -0.543784
  C      -3.673851      5.233737      5.518869
  C      -4.752076      5.409202      4.451756
  C      -4.175912      5.667488      3.056920
  O      -4.997698      5.152395      1.990242
  C      -6.212843      5.689786      1.756661
  C      -6.691352      6.873591      2.296638
  C      -7.960508      7.346266      1.898863
  N      -8.748483      6.761194      1.011878
  C      -8.297972      5.584894      0.482040
  C      -9.102078      4.907695     -0.468008
  C      -8.684500      3.691071     -0.957304
  C      -7.471473      3.145411     -0.481613
  N      -6.672024      3.749102      0.383739
  C      -7.057565      4.969818      0.845319
  C      -6.488397      1.972688      6.361934
  C      -7.188158      3.228498      6.916675
  C      -8.443884      3.554259      6.130927
  O      -8.042285      3.959678      4.797317
  C      -8.984115      3.739092      3.827164
  C      -9.972865      4.663385      3.563229
  C     -10.916022      4.394090      2.544997
  N     -10.910538      3.309591      1.787055
  C      -9.906677      2.410473      2.000616
  C      -9.802200      1.277100      1.158104
  C      -8.757953      0.396898      1.339873
  C      -7.827244      0.642233      2.376515
  N      -7.901053      1.669213      3.208608
  C      -8.911204      2.560736      3.020880
  H      -3.725426     -1.488565      4.959441
  H      -4.606550     -0.303658      3.978352
  H      -1.906926     -1.516827      3.155245
  H      -3.480324     -2.142465      2.655764
  H      -2.369924     -0.657141      0.941459
  H      -2.613507      0.737565      2.030376
  H      -5.949416     -1.456781     -0.230656
  H      -6.570245     -0.790815     -2.555209
  H      -4.409367      3.128647     -3.488505
  H      -2.900655      4.674437     -2.164479
  H      -2.276658      4.027392      0.162155
  H      -2.976758      6.090885      5.472119
  H      -4.164914      5.294927      6.510436
  H      -5.383875      6.251111      4.768280
  H      -5.417398      4.535425      4.421394
  H      -3.229117      5.125650      2.925326
  H      -3.981149      6.740422      2.892653
  H      -6.107004      7.455689      3.007301
  H      -8.331264      8.279633      2.335365
  H     -10.046226      5.365414     -0.765698
  H      -9.289820      3.125853     -1.667078
  H      -7.158782      2.153937     -0.819396
  H      -6.912125      1.071047      6.843124
  H      -6.693559      1.901072      5.284571
  H      -6.502390      4.089448      6.860065
  H      -7.463803      3.101885      7.975270
  H      -9.005666      4.378490      6.601316
  H      -9.109181      2.677339      6.061264
  H     -10.010857      5.600661      4.119514
  H     -11.707171      5.122973      2.345134
  H     -10.537129      1.156945      0.360309
  H      -8.630782     -0.471892      0.692604
  H      -6.966174     -0.024844      2.503503
  N      -4.543447      2.363376      3.628200
  N      -4.999243      2.457753      2.522407
  H      -4.365564      2.700976      1.725034
101
Coordinates from ORCA-job orca E -6484.123640757268
  N      -2.824249      0.397471      4.883175
  Mo     -3.657772      2.143704      5.250877
  N      -5.051294      1.970696      6.578382
  C      -4.599564      1.841947      7.970328
  C      -3.210584      1.211847      8.023221
  N      -2.307460      1.864588      7.032332
  C      -1.186345      0.983124      6.611845
  C      -1.673814     -0.088600      5.639287
  C      -1.797564      3.188578      7.479736
  C      -1.630049      4.046916      6.231626
  N      -2.869455      3.979329      5.446670
  H      -0.839435     -0.345405      4.962963
  H      -1.941736     -1.023575      6.168392
  H      -0.443675      1.623822      6.117942
  H      -0.701476      0.532646      7.493712
  H      -1.392860      5.085255      6.509742
  H      -0.780961      3.680858      5.630628
  H      -2.543026      3.638939      8.148885
  H      -0.855806      3.069871      8.041761
  H      -5.296662      1.202307      8.538936
  H      -4.601473      2.830385      8.465600
  H      -3.284957      0.152773      7.740857
  H      -2.780429      1.270399      9.037474
  C      -3.567089     -0.669934      4.205310
  C      -2.898137     -1.179176      2.918809
  C      -2.965294     -0.205218      1.756069
  O      -4.355845     -0.187772      1.310957
  C      -4.637825      0.212180      0.043803
  C      -5.497225     -0.583185     -0.697372
  C      -5.831195     -0.220287     -2.016555
  N      -5.380535      0.861590     -2.635265
  C      -4.565424      1.680509     -1.912889
  C      -4.114434      2.885525     -2.507508
  C      -3.339401      3.757630     -1.777246
  C      -3.020417      3.426416     -0.444062
  N      -3.404428      2.305537      0.150091
  C      -4.161341      1.420752     -0.560425
  C      -3.652675      5.222337      5.504230
  C      -4.734010      5.392494      4.440059
  C      -4.157190      5.629535      3.041990
  O      -4.986036      5.115288      1.980304
  C      -6.193178      5.669680      1.744470
  C      -6.655072      6.859834      2.285460
  C      -7.920506      7.347383      1.894997
  N      -8.721455      6.770092      1.014998
  C      -8.286362      5.590289      0.480607
  C      -9.104273      4.923617     -0.464939
  C      -8.700291      3.706480     -0.963569
  C      -7.486052      3.150738     -0.503313
  N      -6.674258      3.743680      0.357955
  C      -7.048647      4.962657      0.832613
  C      -6.495473      1.979425      6.383204
  C      -7.184352      3.247102      6.924266
  C      -8.440370      3.570284      6.137898
  O      -8.036286      3.959293      4.800325
  C      -8.981301      3.742758      3.832551
  C      -9.966618      4.670684      3.568388
  C     -10.910164      4.404609      2.549760
  N     -10.908280      3.320164      1.791733
  C      -9.908899      2.416493      2.006825
  C      -9.809795      1.281089      1.166547
  C      -8.770255      0.395734      1.351090
  C      -7.840970      0.636980      2.389631
  N      -7.910408      1.665309      3.220373
  C      -8.914053      2.563034      3.028130
  H      -3.683506     -1.509195      4.915229
  H      -4.578043     -0.315225      3.958165
  H      -1.846042     -1.436302      3.116523
  H      -3.397065     -2.111381      2.610641
  H      -2.342042     -0.556609      0.919823
  H      -2.642940      0.807983      2.030216
  H      -5.886462     -1.502443     -0.258469
  H      -6.491136     -0.872258     -2.597124
  H      -4.419282      3.095104     -3.533830
  H      -2.995084      4.704252     -2.193565
  H      -2.435448      4.119264      0.167376
  H      -2.948360      6.072624      5.441251
  H      -4.137794      5.302422      6.497317
  H      -5.357530      6.243098      4.749277
  H      -5.407089      4.524519      4.420556
  H      -3.217634      5.073677      2.918642
  H      -3.948106      6.698032      2.867089
  H      -6.060355      7.434766      2.993132
  H      -8.277733      8.285159      2.333167
  H     -10.046834      5.390799     -0.752502
  H      -9.314750      3.149988     -1.672289
  H      -7.181497      2.161269     -0.854271
  H      -6.930005      1.085900      6.869825
  H      -6.698464      1.902025      5.305974
  H      -6.492185      4.101625      6.850471
  H      -7.455398      3.138764      7.985944
  H      -8.999031      4.401094      6.600212
  H      -9.108760      2.695045      6.076919
  H     -10.002050      5.607987      4.124662
  H     -11.698217      5.136587      2.349320
  H     -10.545906      1.161561      0.369923
  H      -8.646643     -0.474868      0.705626
  H      -6.985154     -0.036013      2.520147
  N      -4.553872      2.341789      3.648003
  N      -5.014643      2.423649      2.543360
  H      -4.374499      2.632900      1.732948
101
Coordinates from ORCA-job orca E -6484.125800746284
  N      -2.807366      0.393487      4.892936
  Mo     -3.658567      2.131099      5.266025
  N      -5.054608      1.963013      6.595569
  C      -4.610236      1.836411      7.989671
  C      -3.221831      1.206737      8.048144
  N      -2.318100      1.856857      7.056316
  C      -1.193626      0.975061      6.645232
  C      -1.676815     -0.098886      5.675079
  C      -1.813979      3.183744      7.499825
  C      -1.628206      4.033674      6.249332
  N      -2.857884      3.963211      5.448938
  H      -0.834159     -0.374180      5.016272
  H      -1.966978     -1.024454      6.208966
  H      -0.447274      1.613687      6.154320
  H      -0.715509      0.525953      7.531564
  H      -1.395285      5.073199      6.526709
  H      -0.771510      3.665378      5.660815
  H      -2.570921      3.640460      8.151676
  H      -0.882114      3.069229      8.079157
  H      -5.310300      1.197656      8.555777
  H      -4.614390      2.825285      8.484207
  H      -3.296323      0.147074      7.767743
  H      -2.792295      1.267206      9.062567
  C      -3.526558     -0.672669      4.186900
  C      -2.842836     -1.143037      2.893469
  C      -2.951298     -0.159977      1.742093
  O      -4.343005     -0.188603      1.301512
  C      -4.636711      0.199007      0.032891
  C      -5.460345     -0.627983     -0.713711
  C      -5.792676     -0.279944     -2.037630
  N      -5.369110      0.812974     -2.656030
  C      -4.593486      1.663367     -1.926649
  C      -4.170487      2.877771     -2.522637
  C      -3.442764      3.782552     -1.783637
  C      -3.150288      3.478732     -0.437590
  N      -3.504712      2.347995      0.155410
  C      -4.204531      1.425800     -0.566256
  C      -3.635689      5.210669      5.495499
  C      -4.720636      5.377000      4.435105
  C      -4.142164      5.600439      3.035915
  O      -4.975026      5.089925      1.975550
  C      -6.174033      5.659183      1.734994
  C      -6.622713      6.854869      2.275423
  C      -7.884113      7.355159      1.888443
  N      -8.694784      6.784029      1.013578
  C      -8.271711      5.601089      0.476351
  C      -9.099484      4.943437     -0.466783
  C      -8.705572      3.726863     -0.974417
  C      -7.490286      3.163125     -0.526806
  N      -6.670036      3.746448      0.333190
  C      -7.036436      4.963128      0.820452
  C      -6.498291      1.983223      6.395490
  C      -7.177161      3.261550      6.923770
  C      -8.433347      3.583294      6.136882
  O      -8.027726      3.958884      4.795979
  C      -8.975154      3.748053      3.829710
  C      -9.956645      4.680242      3.566118
  C     -10.899130      4.420052      2.544805
  N     -10.900557      3.337080      1.784544
  C      -9.906901      2.427468      2.001470
  C      -9.814157      1.290129      1.163004
  C      -8.782047      0.397006      1.352114
  C      -7.855150      0.631846      2.394328
  N      -7.918723      1.661973      3.223205
  C      -8.913720      2.568013      3.025364
  H      -3.632602     -1.529196      4.877323
  H      -4.542446     -0.330883      3.941522
  H      -1.780895     -1.362676      3.083633
  H      -3.308984     -2.089434      2.577334
  H      -2.316393     -0.475680      0.900344
  H      -2.666270      0.860954      2.029125
  H      -5.819297     -1.560607     -0.277090
  H      -6.423977     -0.955709     -2.622864
  H      -4.459283      3.067692     -3.557447
  H      -3.119508      4.734877     -2.204258
  H      -2.616260      4.202121      0.184492
  H      -2.927126      6.056564      5.419788
  H      -4.114662      5.303973      6.490430
  H      -5.338648      6.233049      4.740267
  H      -5.398783      4.512780      4.422506
  H      -3.208698      5.032894      2.920669
  H      -3.920484      6.665463      2.855222
  H      -6.020872      7.424191      2.981524
  H      -8.230180      8.296959      2.327133
  H     -10.040492      5.418198     -0.747162
  H      -9.326461      3.178851     -1.684195
  H      -7.190719      2.176344     -0.890745
  H      -6.943314      1.097529      6.887123
  H      -6.698585      1.899932      5.318261
  H      -6.479139      4.110044      6.835464
  H      -7.444171      3.169108      7.987998
  H      -8.989258      4.419553      6.592618
  H      -9.104535      2.709574      6.083182
  H      -9.990451      5.616236      4.124751
  H     -11.683457      5.156153      2.344445
  H     -10.550893      1.172897      0.366579
  H      -8.663589     -0.476231      0.709072
  H      -7.007525     -0.050255      2.530985
  N      -4.557994      2.321477      3.662427
  N      -5.023824      2.393009      2.560270
  H      -4.377777      2.566278      1.735386
101
Coordinates from ORCA-job orca E -6484.127659774776
  N      -2.794961      0.388317      4.895233
  Mo     -3.659249      2.122468      5.266553
  N      -5.055374      1.961384      6.600501
  C      -4.616357      1.838452      7.996229
  C      -3.228943      1.208713      8.059608
  N      -2.325497      1.853657      7.064863
  C      -1.200161      0.969212      6.663724
  C      -1.685052     -0.109920      5.702932
  C      -1.825036      3.183274      7.501989
  C      -1.624693      4.024186      6.248271
  N      -2.847497      3.950783      5.437547
  H      -0.837349     -0.410778      5.061830
  H      -1.999824     -1.021419      6.246917
  H      -0.450692      1.602579      6.170958
  H      -0.726812      0.524246      7.554772
  H      -1.394830      5.064877      6.523804
  H      -0.762611      3.653361      5.669544
  H      -2.591128      3.646958      8.138063
  H      -0.901806      3.073055      8.095870
  H      -5.318905      1.201488      8.561396
  H      -4.621958      2.828227      8.489012
  H      -3.304514      0.148044      7.783350
  H      -2.799197      1.272877      9.073681
  C      -3.494690     -0.678288      4.170237
  C      -2.798410     -1.121800      2.874209
  C      -2.938090     -0.135885      1.730246
  O      -4.329884     -0.195189      1.294014
  C      -4.625186      0.184365      0.022995
  C      -5.415534     -0.662410     -0.736332
  C      -5.730983     -0.322069     -2.066693
  N      -5.314802      0.776589     -2.679590
  C      -4.574155      1.645814     -1.936474
  C      -4.153015      2.861890     -2.529730
  C      -3.464976      3.785270     -1.776129
  C      -3.220225      3.503804     -0.415427
  N      -3.570936      2.370320      0.173654
  C      -4.218266      1.423576     -0.565436
  C      -3.621155      5.201194      5.479858
  C      -4.715053      5.362794      4.428754
  C      -4.140094      5.573964      3.027186
  O      -4.980439      5.068167      1.970713
  C      -6.171536      5.653749      1.730856
  C      -6.603611      6.853847      2.275203
  C      -7.861793      7.369004      1.897912
  N      -8.686037      6.807019      1.030221
  C      -8.278349      5.621943      0.486007
  C      -9.120842      4.975484     -0.451446
  C      -8.741043      3.759457     -0.970673
  C      -7.523259      3.186462     -0.542179
  N      -6.689887      3.758660      0.312558
  C      -7.044984      4.971957      0.815706
  C      -6.498993      1.994055      6.400340
  C      -7.166380      3.282401      6.918515
  C      -8.427603      3.599160      6.137975
  O      -8.028482      3.960602      4.791735
  C      -8.982075      3.750926      3.831887
  C      -9.964631      4.683119      3.572076
  C     -10.909121      4.423843      2.552455
  N     -10.912170      3.341830      1.790789
  C      -9.920080      2.430391      2.006678
  C      -9.831564      1.291371      1.170050
  C      -8.803119      0.394382      1.361294
  C      -7.876685      0.626670      2.404389
  N      -7.935308      1.659300      3.230328
  C      -8.925596      2.569704      3.029330
  H      -3.593593     -1.547009      4.846261
  H      -4.514163     -0.346710      3.925227
  H      -1.729617     -1.309211      3.060076
  H      -3.237506     -2.079951      2.554841
  H      -2.296163     -0.425383      0.884485
  H      -2.679499      0.889313      2.027770
  H      -5.757847     -1.604267     -0.306479
  H      -6.336833     -1.011433     -2.662651
  H      -4.410502      3.037350     -3.575221
  H      -3.140923      4.736102     -2.199822
  H      -2.733131      4.247223      0.220310
  H      -2.910246      6.043764      5.388950
  H      -4.088828      5.305736      6.479039
  H      -5.327806      6.222952      4.732854
  H      -5.396345      4.500963      4.424834
  H      -3.213071      4.994818      2.918214
  H      -3.906376      6.635384      2.840734
  H      -5.991778      7.415147      2.978974
  H      -8.193782      8.313967      2.340488
  H     -10.061277      5.458364     -0.719317
  H      -9.373153      3.220873     -1.677641
  H      -7.231859      2.202330     -0.920192
  H      -6.952648      1.116920      6.899526
  H      -6.700791      1.903867      5.324061
  H      -6.464742      4.125781      6.812046
  H      -7.423469      3.205901      7.986364
  H      -8.980598      4.439717      6.589210
  H      -9.099364      2.725169      6.096100
  H      -9.998121      5.618249      4.131966
  H     -11.693020      5.160838      2.354112
  H     -10.570088      1.173947      0.375441
  H      -8.688446     -0.481171      0.720762
  H      -7.034486     -0.061035      2.545485
  N      -4.568394      2.304891      3.661982
  N      -5.045409      2.366897      2.564937
  H      -4.400661      2.495319      1.715929
101
Coordinates from ORCA-job orca E -6484.129153212723
  N      -2.763741      0.388339      4.898472
  Mo     -3.647391      2.116448      5.269152
  N      -5.049279      1.949655      6.598500
  C      -4.621367      1.825941      7.997609
  C      -3.232028      1.203263      8.070337
  N      -2.326881      1.852026      7.079998
  C      -1.194665      0.972316      6.688074
  C      -1.674787     -0.112673      5.733351
  C      -1.838037      3.184942      7.518987
  C      -1.623271      4.022889      6.266241
  N      -2.836691      3.945371      5.441213
  H      -0.820179     -0.436383      5.112602
  H      -2.012594     -1.011098      6.285459
  H      -0.445273      1.606158      6.195648
  H      -0.724142      0.532407      7.583394
  H      -1.400701      5.064624      6.544216
  H      -0.752832      3.654730      5.698550
  H      -2.616949      3.648478      8.139577
  H      -0.924617      3.080816      8.129179
  H      -5.325997      1.184411      8.555203
  H      -4.636255      2.814267      8.493364
  H      -3.301439      0.142179      7.793986
  H      -2.808017      1.269668      9.086760
  C      -3.444192     -0.680903      4.158652
  C      -2.739242     -1.101446      2.859969
  C      -2.925047     -0.121957      1.717987
  O      -4.319750     -0.224356      1.295932
  C      -4.631040      0.140933      0.023688
  C      -5.387594     -0.731542     -0.739871
  C      -5.707299     -0.398383     -2.071941
  N      -5.319938      0.712437     -2.682457
  C      -4.613588      1.605423     -1.934129
  C      -4.216250      2.831174     -2.524636
  C      -3.567647      3.776169     -1.762180
  C      -3.347611      3.511386     -0.393963
  N      -3.674564      2.368494      0.190211
  C      -4.269701      1.395997     -0.558985
  C      -3.613550      5.194846      5.482170
  C      -4.710866      5.354648      4.434394
  C      -4.134741      5.571523      3.034185
  O      -4.976067      5.077003      1.974186
  C      -6.161767      5.671196      1.732663
  C      -6.589715      6.870476      2.282132
  C      -7.845662      7.392466      1.906399
  N      -8.673122      6.835929      1.038059
  C      -8.268170      5.652867      0.486698
  C      -9.112930      5.014187     -0.453868
  C      -8.733408      3.804072     -0.987180
  C      -7.511991      3.229575     -0.570794
  N      -6.677113      3.793283      0.288651
  C      -7.034442      4.999206      0.809259
  C      -6.492179      1.990691      6.391699
  C      -7.154814      3.283244      6.905197
  C      -8.418760      3.598730      6.128323
  O      -8.023515      3.959237      4.780732
  C      -8.979586      3.756543      3.822499
  C      -9.960392      4.692075      3.567641
  C     -10.901225      4.443241      2.541766
  N     -10.904052      3.367352      1.771290
  C      -9.917687      2.449489      1.986924
  C      -9.833836      1.311960      1.147518
  C      -8.816232      0.404045      1.344565
  C      -7.896122      0.623853      2.396345
  N      -7.948238      1.656979      3.222068
  C      -8.927326      2.578238      3.015133
  H      -3.532673     -1.559148      4.823887
  H      -4.468747     -0.363121      3.915794
  H      -1.662423     -1.247468      3.037338
  H      -3.144726     -2.076336      2.546229
  H      -2.281884     -0.385981      0.864892
  H      -2.698043      0.910216      2.018668
  H      -5.698358     -1.686150     -0.313885
  H      -6.288775     -1.105394     -2.671699
  H      -4.459214      2.995854     -3.575478
  H      -3.259027      4.731489     -2.187286
  H      -2.906235      4.275302      0.250319
  H      -2.904769      6.038932      5.386268
  H      -4.075978      5.300901      6.483749
  H      -5.325763      6.212315      4.741583
  H      -5.389608      4.490615      4.428050
  H      -3.211085      4.987089      2.925023
  H      -3.894344      6.632696      2.854310
  H      -5.977037      7.426368      2.989612
  H      -8.173617      8.337009      2.353273
  H     -10.054404      5.498873     -0.715377
  H      -9.367073      3.273404     -1.698863
  H      -7.217939      2.251891     -0.964431
  H      -6.953625      1.117745      6.891427
  H      -6.690279      1.898687      5.314884
  H      -6.452011      4.124731      6.790981
  H      -7.406604      3.213088      7.974878
  H      -8.971538      4.439085      6.580324
  H      -9.089602      2.723728      6.088844
  H      -9.995497      5.622266      4.135807
  H     -11.682175      5.184365      2.346229
  H     -10.570092      1.201592      0.349622
  H      -8.707167     -0.472804      0.704569
  H      -7.067138     -0.077633      2.547614
  N      -4.558609      2.294097      3.663716
  N      -5.039682      2.353922      2.570940
  H      -4.392176      2.455714      1.705750
101
Coordinates from ORCA-job orca E -6484.130372839803
  N      -2.742627      0.387573      4.895319
  Mo     -3.638297      2.114805      5.258476
  N      -5.042412      1.944019      6.585975
  C      -4.622601      1.822185      7.987659
  C      -3.231479      1.206067      8.068039
  N      -2.326469      1.855182      7.078621
  C      -1.190739      0.977734      6.694784
  C      -1.674060     -0.116075      5.754734
  C      -1.845219      3.190944      7.515882
  C      -1.621237      4.024463      6.261754
  N      -2.829604      3.944070      5.429043
  H      -0.817274     -0.469495      5.153381
  H      -2.036128     -0.996309      6.320802
  H      -0.443717      1.608507      6.194973
  H      -0.718364      0.546535      7.593513
  H      -1.401933      5.067087      6.539074
  H      -0.746626      3.656028      5.700981
  H      -2.632610      3.655772      8.124677
  H      -0.938739      3.092613      8.137357
  H      -5.327760      1.177097      8.540591
  H      -4.645630      2.809915      8.484349
  H      -3.296292      0.143986      7.794978
  H      -2.811270      1.277266      9.085675
  C      -3.408874     -0.685847      4.149170
  C      -2.690303     -1.099111      2.855696
  C      -2.898275     -0.129027      1.711604
  O      -4.295472     -0.251391      1.303037
  C      -4.615724      0.105291      0.030896
  C      -5.360003     -0.774551     -0.735145
  C      -5.679650     -0.440292     -2.067480
  N      -5.297167      0.673369     -2.675843
  C      -4.601491      1.571937     -1.924613
  C      -4.200091      2.797431     -2.512749
  C      -3.565565      3.746630     -1.743243
  C      -3.370666      3.490801     -0.369923
  N      -3.699545      2.346454      0.210324
  C      -4.270778      1.365946     -0.546728
  C      -3.609176      5.191787      5.473691
  C      -4.714098      5.345822      4.433393
  C      -4.143575      5.565747      3.031562
  O      -4.991658      5.080789      1.973478
  C      -6.173101      5.685477      1.737610
  C      -6.593101      6.882456      2.297731
  C      -7.847717      7.413637      1.930465
  N      -8.681874      6.866691      1.062389
  C      -8.283069      5.687418      0.498640
  C      -9.133690      5.060071     -0.443982
  C      -8.757156      3.856764     -0.994911
  C      -7.531827      3.278932     -0.594989
  N      -6.692595      3.831263      0.267590
  C      -7.049338      5.027998      0.808230
  C      -6.485203      1.992643      6.378062
  C      -7.143223      3.287303      6.891639
  C      -8.415487      3.596638      6.126266
  O      -8.031912      3.958873      4.776268
  C      -8.993699      3.759095      3.823606
  C      -9.979644      4.692355      3.580220
  C     -10.920875      4.449475      2.553502
  N     -10.920399      3.381181      1.772561
  C      -9.933220      2.462778      1.981204
  C      -9.849977      1.329991      1.135364
  C      -8.836425      0.417410      1.331131
  C      -7.919935      0.627782      2.387889
  N      -7.967925      1.659254      3.215811
  C      -8.942856      2.585199      3.009979
  H      -3.495557     -1.567096      4.810676
  H      -4.435004     -0.377014      3.900789
  H      -1.610299     -1.215551      3.035089
  H      -3.070786     -2.085876      2.547632
  H      -2.257914     -0.382946      0.853562
  H      -2.684849      0.906167      2.012009
  H      -5.660738     -1.733749     -0.312558
  H      -6.255172     -1.149680     -2.669889
  H      -4.428516      2.959269     -3.567197
  H      -3.252223      4.699696     -2.169455
  H      -2.954979      4.262383      0.281038
  H      -2.903675      6.037659      5.368341
  H      -4.062061      5.300392      6.479326
  H      -5.331595      6.200401      4.743764
  H      -5.387705      4.477931      4.429016
  H      -3.223361      4.976435      2.917686
  H      -3.897897      6.626378      2.855622
  H      -5.976236      7.429469      3.008392
  H      -8.169055      8.356437      2.385458
  H     -10.076443      5.547724     -0.694766
  H      -9.395095      3.335901     -1.709840
  H      -7.236962      2.308795     -1.006131
  H      -6.951633      1.123056      6.879227
  H      -6.683909      1.899803      5.301566
  H      -6.443127      4.129283      6.765860
  H      -7.383119      3.222066      7.964287
  H      -8.969111      4.433855      6.583004
  H      -9.081614      2.717832      6.091787
  H     -10.018572      5.616345      4.157952
  H     -11.704165      5.189853      2.365152
  H     -10.585881      1.224658      0.336585
  H      -8.729867     -0.457710      0.688484
  H      -7.099123     -0.081536      2.543867
  N      -4.560730      2.287387      3.651886
  N      -5.053924      2.345184      2.566075
  H      -4.417682      2.401454      1.670022
101
Coordinates from ORCA-job orca E -6484.131299675155
  N      -2.712561      0.386566      4.897897
  Mo     -3.622595      2.111282      5.255006
  N      -5.034237      1.932250      6.573882
  C      -4.627413      1.812507      7.979743
  C      -3.233354      1.205963      8.073272
  N      -2.325715      1.857043      7.088137
  C      -1.183909      0.984081      6.711285
  C      -1.666581     -0.119070      5.783891
  C      -1.854164      3.196062      7.525809
  C      -1.617884      4.024845      6.270634
  N      -2.819403      3.942534      5.427603
  H      -0.806601     -0.501254      5.204871
  H      -2.053749     -0.981064      6.361766
  H      -0.442437      1.614695      6.203024
  H      -0.706455      0.563405      7.612561
  H      -1.400430      5.068404      6.546299
  H      -0.738761      3.653996      5.718894
  H      -2.651423      3.661096      8.121576
  H      -0.955833      3.103848      8.160100
  H      -5.333866      1.161918      8.524746
  H      -4.663059      2.799365      8.477502
  H      -3.290181      0.142585      7.804364
  H      -2.821143      1.283567      9.093698
  C      -3.365930     -0.689064      4.143781
  C      -2.636403     -1.088503      2.852242
  C      -2.877477     -0.128581      1.705977
  O      -4.276496     -0.282557      1.309933
  C      -4.610532      0.060344      0.037549
  C      -5.325519     -0.840832     -0.730921
  C      -5.646335     -0.515113     -2.065763
  N      -5.284912      0.604819     -2.675544
  C      -4.617036      1.522745     -1.922826
  C      -4.231110      2.753235     -2.511344
  C      -3.630313      3.720113     -1.736320
  C      -3.461317      3.480741     -0.357327
  N      -3.773249      2.330385      0.221562
  C      -4.301066      1.329777     -0.540349
  C      -3.602408      5.188454      5.472364
  C      -4.709737      5.337250      4.433937
  C      -4.141723      5.567478      3.032824
  O      -4.994364      5.094640      1.973650
  C      -6.172974      5.706570      1.743718
  C      -6.590430      6.897730      2.317503
  C      -7.844783      7.434513      1.956772
  N      -8.681685      6.897070      1.085095
  C      -8.284015      5.724407      0.506516
  C      -9.135789      5.107318     -0.441774
  C      -8.756522      3.913644     -1.012154
  C      -7.526579      3.335420     -0.626852
  N      -6.687466      3.877347      0.242996
  C      -7.048963      5.062873      0.804677
  C      -6.476345      1.988082      6.359864
  C      -7.132590      3.281902      6.877177
  C      -8.412007      3.586306      6.122092
  O      -8.037936      3.956676      4.771983
  C      -9.004008      3.764559      3.822815
  C      -9.991831      4.698725      3.590398
  C     -10.931621      4.466771      2.559739
  N     -10.928765      3.407839      1.765953
  C      -9.943721      2.485622      1.968382
  C      -9.861655      1.359197      1.113776
  C      -8.855459      0.438564      1.309306
  C      -7.945478      0.634262      2.374704
  N      -7.988499      1.662621      3.206654
  C      -8.955938      2.596537      3.000862
  H      -3.449878     -1.574745      4.799806
  H      -4.393822     -0.389116      3.891539
  H      -1.552725     -1.166049      3.030707
  H      -2.982938     -2.089581      2.550331
  H      -2.239991     -0.368121      0.841852
  H      -2.685471      0.911553      2.004360
  H      -5.600745     -1.808551     -0.310323
  H      -6.201572     -1.238852     -2.670115
  H      -4.444695      2.905498     -3.570356
  H      -3.327948      4.676133     -2.163585
  H      -3.087736      4.268771      0.298710
  H      -2.899866      6.036445      5.362204
  H      -4.051112      5.298595      6.479665
  H      -5.334263      6.185691      4.747087
  H      -5.375352      4.463450      4.425943
  H      -3.223948      4.976104      2.910339
  H      -3.892681      6.629017      2.866488
  H      -5.972959      7.435645      3.034702
  H      -8.163993      8.373112      2.421888
  H     -10.081072      5.594935     -0.683105
  H      -9.395273      3.402102     -1.733125
  H      -7.226851      2.374820     -1.056703
  H      -6.948430      1.119209      6.857282
  H      -6.672231      1.898575      5.282660
  H      -6.436257      4.126020      6.745194
  H      -7.362866      3.216891      7.951991
  H      -8.968600      4.417577      6.586112
  H      -9.072076      2.702945      6.087251
  H     -10.033499      5.615354      4.179571
  H     -11.714709      5.209151      2.378243
  H     -10.594619      1.263343      0.311056
  H      -8.751349     -0.433372      0.661858
  H      -7.135870     -0.086201      2.536333
  N      -4.547372      2.279141      3.646187
  N      -5.046759      2.336721      2.565989
  H      -4.413757      2.380376      1.646138
101
Coordinates from ORCA-job orca E -6484.131931960612
  N      -2.685625      0.383771      4.903551
  Mo     -3.607828      2.104688      5.257323
  N      -5.025298      1.917027      6.567935
  C      -4.628474      1.804308      7.977588
  C      -3.230506      1.208349      8.083453
  N      -2.322000      1.858577      7.098830
  C      -1.175365      0.989675      6.724559
  C      -1.658510     -0.123036      5.810661
  C      -1.857485      3.201337      7.533326
  C      -1.613880      4.023336      6.274467
  N      -2.811935      3.939233      5.425853
  H      -0.797387     -0.530212      5.250554
  H      -2.066362     -0.968339      6.399435
  H      -0.443961      1.620877      6.202574
  H      -0.686516      0.581767      7.625725
  H      -1.394021      5.068013      6.544219
  H      -0.733828      3.646205      5.728814
  H      -2.660999      3.667033      8.120179
  H      -0.963860      3.115858      8.175360
  H      -5.334010      1.149125      8.518491
  H      -4.676302      2.791874      8.472946
  H      -3.279234      0.142671      7.823240
  H      -2.824763      1.296390      9.105589
  C      -3.328674     -0.692719      4.141305
  C      -2.586311     -1.081462      2.853187
  C      -2.846078     -0.126284      1.707122
  O      -4.246958     -0.301357      1.322523
  C      -4.599764      0.036341      0.054820
  C      -5.302485     -0.876617     -0.711138
  C      -5.636925     -0.553791     -2.043579
  N      -5.296410      0.571408     -2.655174
  C      -4.640692      1.500488     -1.905819
  C      -4.272366      2.735628     -2.495626
  C      -3.687974      3.713187     -1.721335
  C      -3.520963      3.481419     -0.341468
  N      -3.812617      2.324646      0.237249
  C      -4.320179      1.312444     -0.523887
  C      -3.598076      5.183052      5.469937
  C      -4.707904      5.321783      4.433160
  C      -4.144340      5.559860      3.031782
  O      -5.000565      5.094177      1.971896
  C      -6.176185      5.712195      1.741485
  C      -6.592966      6.900424      2.321511
  C      -7.845731      7.441046      1.960214
  N      -8.681993      6.909506      1.084118
  C      -8.283418      5.741148      0.497427
  C      -9.131865      5.131444     -0.458737
  C      -8.746708      3.946197     -1.043159
  C      -7.514370      3.368934     -0.664255
  N      -6.680308      3.902546      0.215854
  C      -7.048524      5.078755      0.792176
  C      -6.466757      1.976421      6.347912
  C      -7.121984      3.269919      6.866417
  C      -8.407575      3.571151      6.119979
  O      -8.041951      3.951340      4.770152
  C      -9.012565      3.770514      3.823564
  C      -9.999205      4.709230      3.604612
  C     -10.939827      4.493159      2.571244
  N     -10.939944      3.444651      1.763716
  C      -9.959141      2.515705      1.955913
  C      -9.883841      1.397063      1.090394
  C      -8.885767      0.466485      1.279474
  C      -7.977243      0.644429      2.349334
  N      -8.011174      1.667117      3.188609
  C      -8.970907      2.610565      2.989603
  H      -3.414108     -1.580828      4.793611
  H      -4.356184     -0.398449      3.881088
  H      -1.501736     -1.129112      3.037122
  H      -2.903613     -2.091804      2.550420
  H      -2.213232     -0.357235      0.837349
  H      -2.665538      0.916315      2.004627
  H      -5.556602     -1.850743     -0.292148
  H      -6.184788     -1.285275     -2.645366
  H      -4.487565      2.884530     -3.554806
  H      -3.400817      4.673798     -2.148502
  H      -3.171495      4.278204      0.316384
  H      -2.898747      6.033014      5.352803
  H      -4.043028      5.296924      6.478393
  H      -5.342329      6.162643      4.746335
  H      -5.362253      4.439857      4.424468
  H      -3.227423      4.969041      2.899907
  H      -3.894671      6.622464      2.872553
  H      -5.977196      7.432476      3.044394
  H      -8.164929      8.377409      2.429792
  H     -10.078112      5.618701     -0.697062
  H      -9.381664      3.442167     -1.772765
  H      -7.207027      2.416785     -1.107754
  H      -6.944200      1.107899      6.841219
  H      -6.658825      1.889714      5.269939
  H      -6.429170      4.115796      6.727366
  H      -7.343530      3.206159      7.943171
  H      -8.965787      4.396944      6.591875
  H      -9.063261      2.684600      6.083090
  H     -10.039667      5.617423      4.206902
  H     -11.721148      5.239676      2.399285
  H     -10.617313      1.313542      0.286702
  H      -8.787829     -0.400773      0.624751
  H      -7.178789     -0.088034      2.510934
  N      -4.535189      2.263756      3.646685
  N      -5.042011      2.317438      2.572595
  H      -4.418869      2.331395      1.621819
101
Coordinates from ORCA-job orca E -6484.132212700857
  N      -2.657621      0.383060      4.902068
  Mo     -3.588233      2.106644      5.243860
  N      -5.012841      1.910168      6.545019
  C      -4.628452      1.803810      7.959131
  C      -3.227340      1.218367      8.080627
  N      -2.316573      1.867159      7.098190
  C      -1.166379      1.001137      6.728569
  C      -1.652522     -0.122931      5.833150
  C      -1.858995      3.212403      7.530948
  C      -1.608256      4.030263      6.270825
  N      -2.803083      3.945665      5.418447
  H      -0.791697     -0.560330      5.295575
  H      -2.084686     -0.946507      6.435722
  H      -0.445495      1.630523      6.189925
  H      -0.665736      0.608310      7.630039
  H      -1.387021      5.075513      6.537616
  H      -0.727034      3.649327      5.730078
  H      -2.669515      3.677871      8.108296
  H      -0.970989      3.132573      8.181552
  H      -5.334608      1.144135      8.494012
  H      -4.689100      2.791783      8.452210
  H      -3.267867      0.150394      7.829864
  H      -2.830249      1.317577      9.105071
  C      -3.296220     -0.697526      4.141927
  C      -2.546015     -1.084409      2.856921
  C      -2.834334     -0.154839      1.697604
  O      -4.234620     -0.356223      1.322090
  C      -4.584517     -0.033712      0.050341
  C      -5.268936     -0.955284     -0.721806
  C      -5.584665     -0.638402     -2.060928
  N      -5.235369      0.483348     -2.674417
  C      -4.596741      1.419934     -1.920048
  C      -4.208612      2.649355     -2.509986
  C      -3.643752      3.632615     -1.727165
  C      -3.523096      3.416430     -0.341513
  N      -3.829792      2.262940      0.235386
  C      -4.310382      1.241711     -0.530521
  C      -3.594256      5.185216      5.474222
  C      -4.713083      5.320780      4.446854
  C      -4.163603      5.581936      3.044586
  O      -5.031033      5.133340      1.986464
  C      -6.203630      5.761630      1.769102
  C      -6.611279      6.944951      2.364934
  C      -7.864903      7.493249      2.018123
  N      -8.711024      6.972616      1.145275
  C      -8.320619      5.810556      0.541117
  C      -9.177489      5.213248     -0.415183
  C      -8.794532      4.039284     -1.023574
  C      -7.555566      3.460871     -0.669771
  N      -6.715567      3.981436      0.213162
  C      -7.083239      5.144742      0.815298
  C      -6.452930      1.975167      6.318416
  C      -7.109992      3.265250      6.841939
  C      -8.404627      3.556222      6.106784
  O      -8.053434      3.947969      4.756447
  C      -9.030640      3.770251      3.816572
  C     -10.022923      4.706037      3.610012
  C     -10.964439      4.495908      2.576342
  N     -10.962342      3.454562      1.759340
  C      -9.980560      2.525185      1.944048
  C      -9.907984      1.409742      1.074015
  C      -8.914025      0.474272      1.261417
  C      -8.006541      0.644792      2.333188
  N      -8.034158      1.667351      3.172984
  C      -8.990684      2.614855      2.976457
  H      -3.381988     -1.585377      4.794391
  H      -4.324023     -0.407490      3.878485
  H      -1.460156     -1.088529      3.040156
  H      -2.827670     -2.109416      2.569838
  H      -2.205109     -0.387399      0.825585
  H      -2.670800      0.895089      1.979992
  H      -5.521446     -1.930487     -0.304620
  H      -6.120821     -1.374461     -2.667621
  H      -4.393090      2.790819     -3.575910
  H      -3.341062      4.589446     -2.151065
  H      -3.204589      4.220073      0.322312
  H      -2.899999      6.039087      5.353654
  H      -4.030840      5.294357      6.486745
  H      -5.357912      6.149048      4.771616
  H      -5.353317      4.428845      4.432130
  H      -3.248227      4.993890      2.890648
  H      -3.914982      6.647086      2.901183
  H      -5.988991      7.466730      3.089536
  H      -8.177392      8.425844      2.499483
  H     -10.127282      5.701354     -0.636912
  H      -9.435047      3.547033     -1.756325
  H      -7.246513      2.520265     -1.136540
  H      -6.935167      1.105420      6.805404
  H      -6.641031      1.894088      5.239517
  H      -6.424698      4.115920      6.695881
  H      -7.320139      3.200858      7.920924
  H      -8.969655      4.372452      6.587148
  H      -9.049526      2.661797      6.069260
  H     -10.067695      5.607225      4.222467
  H     -11.748635      5.241113      2.412226
  H     -10.642610      1.330351      0.271041
  H      -8.819578     -0.392091      0.605007
  H      -7.216828     -0.096204      2.498679
  N      -4.525548      2.263215      3.632573
  N      -5.045791      2.324871      2.568184
  H      -4.431422      2.358001      1.582040
101
Coordinates from ORCA-job orca E -6484.132808997034
  N      -2.639971      0.374809      4.913874
  Mo     -3.576038      2.097250      5.249532
  N      -5.010159      1.903737      6.541219
  C      -4.638072      1.806739      7.959417
  C      -3.236865      1.224478      8.097206
  N      -2.319807      1.863754      7.114946
  C      -1.169837      0.993420      6.752608
  C      -1.657573     -0.135904      5.866277
  C      -1.861698      3.211131      7.540952
  C      -1.597827      4.018643      6.276401
  N      -2.788052      3.935800      5.417275
  H      -0.795669     -0.595263      5.349056
  H      -2.112740     -0.943778      6.473397
  H      -0.452697      1.618475      6.203944
  H      -0.664460      0.610024      7.655478
  H      -1.369219      5.064178      6.535872
  H      -0.716823      3.626338      5.743696
  H      -2.676429      3.682852      8.107224
  H      -0.979687      3.134478      8.200160
  H      -5.347569      1.148414      8.491704
  H      -4.705298      2.797187      8.446592
  H      -3.274432      0.153618      7.858991
  H      -2.847740      1.335699      9.123407
  C      -3.264893     -0.701500      4.136972
  C      -2.498041     -1.064990      2.855221
  C      -2.801787     -0.132015      1.702537
  O      -4.199060     -0.359993      1.327502
  C      -4.557769     -0.051639      0.055255
  C      -5.198237     -1.002982     -0.718680
  C      -5.509025     -0.707411     -2.063539
  N      -5.191192      0.420561     -2.681816
  C      -4.600366      1.386798     -1.926451
  C      -4.248064      2.623671     -2.522394
  C      -3.739704      3.637277     -1.740260
  C      -3.645964      3.443959     -0.349062
  N      -3.915074      2.282885      0.233686
  C      -4.332152      1.231470     -0.530529
  C      -3.575560      5.177833      5.465561
  C      -4.696836      5.304268      4.439788
  C      -4.150186      5.563086      3.037101
  O      -5.024961      5.120704      1.981856
  C      -6.192532      5.759910      1.769065
  C      -6.592972      6.938629      2.378506
  C      -7.844388      7.497044      2.039707
  N      -8.695537      6.989705      1.163995
  C      -8.311685      5.833262      0.545060
  C      -9.173598      5.249331     -0.414901
  C      -8.795254      4.082269     -1.039611
  C      -7.555522      3.497555     -0.699217
  N      -6.712046      4.005348      0.187914
  C      -7.075923      5.160278      0.807416
  C      -6.448877      1.973928      6.305653
  C      -7.104469      3.264407      6.829881
  C      -8.406210      3.550125      6.105493
  O      -8.064416      3.947719      4.754818
  C      -9.047248      3.778148      3.819792
  C     -10.039035      4.716790      3.623729
  C     -10.985466      4.514624      2.593031
  N     -10.988679      3.478437      1.769437
  C     -10.008738      2.545446      1.945145
  C      -9.943112      1.434085      1.069441
  C      -8.952012      0.494215      1.249279
  C      -8.041182      0.656048      2.319491
  N      -8.060977      1.675262      3.163398
  C      -9.014536      2.627049      2.974013
  H      -3.353220     -1.596729      4.778703
  H      -4.291252     -0.414959      3.864347
  H      -1.413862     -1.039994      3.047028
  H      -2.747819     -2.095117      2.557661
  H      -2.170042     -0.348473      0.828236
  H      -2.655565      0.918625      1.991378
  H      -5.414894     -1.986043     -0.299906
  H      -6.009425     -1.467298     -2.671247
  H      -4.416059      2.746900     -3.593246
  H      -3.466957      4.601053     -2.169040
  H      -3.385883      4.268464      0.314126
  H      -2.879457      6.028815      5.334714
  H      -4.008827      5.298174      6.478249
  H      -5.348153      6.128912      4.760892
  H      -5.330269      4.407529      4.428197
  H      -3.238997      4.969517      2.879608
  H      -3.895267      6.626816      2.894247
  H      -5.967574      7.448217      3.109159
  H      -8.151233      8.426014      2.531528
  H     -10.123295      5.741808     -0.626868
  H      -9.439299      3.601323     -1.776708
  H      -7.247789      2.564737     -1.181937
  H      -6.938152      1.104702      6.786662
  H      -6.631152      1.896776      5.225529
  H      -6.422958      4.116285      6.673849
  H      -7.304154      3.203674      7.910969
  H      -8.972979      4.361261      6.592352
  H      -9.045921      2.651990      6.068444
  H     -10.080295      5.613759      4.242450
  H     -11.768567      5.262484      2.436279
  H     -10.681488      1.360466      0.269428
  H      -8.862951     -0.369632      0.588880
  H      -7.256746     -0.090649      2.481495
  N      -4.509026      2.245086      3.630520
  N      -5.032364      2.301639      2.569094
  H      -4.422185      2.323285      1.556776
101
Coordinates from ORCA-job orca E -6484.133317174242
  N      -2.614583      0.372563      4.924112
  Mo     -3.561555      2.090020      5.256306
  N      -5.004196      1.891657      6.537855
  C      -4.642081      1.803175      7.959504
  C      -3.238315      1.229845      8.111922
  N      -2.317729      1.865055      7.130530
  C      -1.165037      0.995557      6.774118
  C      -1.646956     -0.137819      5.891532
  C      -1.863440      3.215294      7.551881
  C      -1.594086      4.017395      6.284867
  N      -2.781306      3.933309      5.421670
  H      -0.781026     -0.606589      5.389570
  H      -2.115455     -0.938010      6.498899
  H      -0.453357      1.620921      6.218441
  H      -0.654897      0.620869      7.677885
  H      -1.362168      5.063430      6.539654
  H      -0.712539      3.619759      5.756908
  H      -2.682306      3.687714      8.111703
  H      -0.984745      3.143608      8.216233
  H      -5.351591      1.143037      8.489763
  H      -4.718129      2.795270      8.441998
  H      -3.267658      0.156194      7.885321
  H      -2.857866      1.353978      9.139892
  C      -3.220810     -0.704387      4.133457
  C      -2.435499     -1.045726      2.856669
  C      -2.763915     -0.120587      1.705272
  O      -4.154081     -0.394101      1.332617
  C      -4.524216     -0.105331      0.060545
  C      -5.130576     -1.082677     -0.708903
  C      -5.453666     -0.805524     -2.054466
  N      -5.178862      0.330911     -2.677716
  C      -4.624719      1.321936     -1.926941
  C      -4.323734      2.569344     -2.528900
  C      -3.855268      3.606813     -1.753510
  C      -3.748069      3.424209     -0.361839
  N      -3.964730      2.253778      0.225062
  C      -4.346484      1.181876     -0.531337
  C      -3.571691      5.173054      5.471736
  C      -4.698574      5.290036      4.451114
  C      -4.158553      5.559938      3.048919
  O      -5.037281      5.124170      1.993304
  C      -6.203469      5.767038      1.784291
  C      -6.607357      6.936719      2.408656
  C      -7.858313      7.498486      2.073012
  N      -8.706242      7.002078      1.187928
  C      -8.317699      5.856115      0.552557
  C      -9.173980      5.285519     -0.420297
  C      -8.787627      4.132609     -1.066304
  C      -7.545488      3.548355     -0.733923
  N      -6.709619      4.042154      0.167867
  C      -7.081126      5.182509      0.808479
  C      -6.441461      1.959290      6.291804
  C      -7.103088      3.243436      6.823496
  C      -8.406915      3.529903      6.103333
  O      -8.065594      3.950876      4.759607
  C      -9.048194      3.801722      3.821287
  C     -10.033103      4.750122      3.637767
  C     -10.977391      4.571793      2.600702
  N     -10.986194      3.548782      1.760899
  C     -10.014458      2.605282      1.925412
  C      -9.957642      1.505086      1.035244
  C      -8.975684      0.553953      1.204398
  C      -8.064425      0.694073      2.277412
  N      -8.076162      1.701901      3.134937
  C      -9.021803      2.663793      2.957549
  H      -3.305099     -1.605215      4.767554
  H      -4.247378     -0.428039      3.852144
  H      -1.354025     -0.983256      3.056425
  H      -2.645782     -2.083002      2.553964
  H      -2.127553     -0.319708      0.830096
  H      -2.647667      0.934059      1.993902
  H      -5.309997     -2.071510     -0.286110
  H      -5.927255     -1.585872     -2.657658
  H      -4.499453      2.680980     -3.599804
  H      -3.624572      4.579856     -2.185786
  H      -3.522194      4.259918      0.299437
  H      -2.878866      6.025847      5.334546
  H      -4.000425      5.295954      6.486140
  H      -5.362063      6.103599      4.775463
  H      -5.318434      4.383975      4.438124
  H      -3.247223      4.969101      2.882183
  H      -3.905940      6.625050      2.912649
  H      -5.985508      7.436305      3.149159
  H      -8.168123      8.420197      2.576557
  H     -10.124980      5.777841     -0.626768
  H      -9.426026      3.663571     -1.815929
  H      -7.228413      2.629068     -1.236313
  H      -6.934244      1.084628      6.759389
  H      -6.614727      1.892718      5.209528
  H      -6.426153      4.099324      6.669514
  H      -7.299454      3.176117      7.904749
  H      -8.979520      4.329678      6.602007
  H      -9.040339      2.628026      6.051317
  H     -10.070761      5.636733      4.271513
  H     -11.754258      5.328033      2.453283
  H     -10.696724      1.447697      0.234554
  H      -8.894107     -0.302488      0.533514
  H      -7.288096     -0.062618      2.431144
  N      -4.493337      2.227012      3.632531
  N      -5.022577      2.280534      2.576391
  H      -4.429968      2.257421      1.523193
101
Coordinates from ORCA-job orca E -6484.134317127259
  N      -2.594673      0.361230      4.940390
  Mo     -3.545905      2.078676      5.261325
  N      -4.999590      1.888386      6.532636
  C      -4.649177      1.813842      7.958268
  C      -3.245816      1.244210      8.129886
  N      -2.317909      1.866644      7.147658
  C      -1.166762      0.990304      6.803940
  C      -1.642915     -0.147234      5.924443
  C      -1.861395      3.218992      7.558576
  C      -1.582213      4.009120      6.286232
  N      -2.766110      3.925455      5.418824
  H      -0.771679     -0.623892      5.439072
  H      -2.125204     -0.940152      6.530694
  H      -0.454509      1.610631      6.242871
  H      -0.658317      0.623972      7.711954
  H      -1.342649      5.055529      6.532825
  H      -0.701125      3.600853      5.765315
  H      -2.682644      3.698275      8.109242
  H      -0.986892      3.150892      8.229012
  H      -5.362137      1.158119      8.489715
  H      -4.729074      2.810454      8.430807
  H      -3.270649      0.166863      7.920417
  H      -2.875369      1.384969      9.159410
  C      -3.178209     -0.716774      4.134856
  C      -2.371450     -1.028215      2.863653
  C      -2.729662     -0.113822      1.713384
  O      -4.105570     -0.445530      1.334027
  C      -4.472857     -0.182546      0.056834
  C      -5.014197     -1.193565     -0.718244
  C      -5.332648     -0.939748     -2.069151
  N      -5.113754      0.209611     -2.691454
  C      -4.628987      1.232080     -1.935336
  C      -4.396260      2.494498     -2.537447
  C      -4.001634      3.561293     -1.760967
  C      -3.896630      3.389275     -0.368022
  N      -4.042518      2.206761      0.216463
  C      -4.358258      1.109841     -0.536805
  C      -3.553065      5.166698      5.469192
  C      -4.687617      5.280556      4.456696
  C      -4.158228      5.559803      3.053375
  O      -5.049560      5.138607      2.001336
  C      -6.209746      5.795113      1.802872
  C      -6.603407      6.959111      2.444321
  C      -7.851425      7.534383      2.120365
  N      -8.705895      7.055977      1.231788
  C      -8.326775      5.917269      0.578060
  C      -9.189440      5.366732     -0.400582
  C      -8.810585      4.223999     -1.068905
  C      -7.568532      3.630474     -0.753937
  N      -6.729297      4.103900      0.155199
  C      -7.093202      5.232784      0.819422
  C      -6.434686      1.950403      6.272980
  C      -7.106895      3.226429      6.810495
  C      -8.413700      3.509839      6.094345
  O      -8.076903      3.956652      4.757535
  C      -9.060042      3.819387      3.818263
  C     -10.047064      4.768624      3.650649
  C     -10.993570      4.603790      2.613434
  N     -11.003630      3.592729      1.759361
  C     -10.029655      2.648867      1.907286
  C      -9.975244      1.560871      1.002266
  C      -8.990104      0.610084      1.153573
  C      -8.072194      0.739148      2.222367
  N      -8.082701      1.734301      3.094659
  C      -9.033001      2.694972      2.936572
  H      -3.254917     -1.625022      4.758942
  H      -4.205615     -0.453414      3.845455
  H      -1.294948     -0.921186      3.072653
  H      -2.535061     -2.071594      2.553754
  H      -2.082474     -0.288417      0.840686
  H      -2.656408      0.944354      2.003682
  H      -5.144302     -2.189866     -0.294832
  H      -5.753102     -1.747179     -2.675994
  H      -4.565854      2.592268     -3.610753
  H      -3.828075      4.547110     -2.190351
  H      -3.730618      4.235617      0.297114
  H      -2.859111      6.017451      5.324450
  H      -3.975531      5.295298      6.485727
  H      -5.358140      6.085811      4.786867
  H      -5.298171      4.368345      4.443899
  H      -3.251706      4.965797      2.872224
  H      -3.901699      6.624665      2.923101
  H      -5.975974      7.443872      3.189825
  H      -8.153216      8.451364      2.637386
  H     -10.139011      5.866815     -0.594671
  H      -9.453353      3.771207     -1.824812
  H      -7.253235      2.722596     -1.278243
  H      -6.930146      1.069518      6.726230
  H      -6.596537      1.893806      5.188459
  H      -6.437099      4.088270      6.658381
  H      -7.300102      3.152260      7.891816
  H      -8.994906      4.295657      6.605123
  H      -9.037653      2.602295      6.027123
  H     -10.085229      5.645800      4.297478
  H     -11.771722      5.361140      2.478765
  H     -10.719396      1.511729      0.205679
  H      -8.910694     -0.237554      0.471354
  H      -7.291863     -0.016900      2.359731
  N      -4.479310      2.204290      3.631266
  N      -5.019168      2.258673      2.583554
  H      -4.450168      2.201417      1.475003
101
Coordinates from ORCA-job orca E -6484.136530451372
  N      -2.581923      0.341370      4.955274
  Mo     -3.528652      2.066313      5.254177
  N      -4.997753      1.898387      6.515778
  C      -4.659999      1.833952      7.944780
  C      -3.261322      1.259951      8.135509
  N      -2.321798      1.869734      7.157135
  C      -1.173964      0.983484      6.834527
  C      -1.642826     -0.159149      5.956275
  C      -1.860768      3.222004      7.559471
  C      -1.565708      3.999335      6.282453
  N      -2.743593      3.916502      5.407226
  H      -0.763391     -0.636879      5.486154
  H      -2.133075     -0.948833      6.560552
  H      -0.449270      1.594104      6.278200
  H      -0.681154      0.621368      7.752889
  H      -1.321715      5.046046      6.524697
  H      -0.681700      3.583349      5.772096
  H      -2.684126      3.711341      8.098296
  H      -0.993089      3.153997      8.238937
  H      -5.380838      1.187507      8.477337
  H      -4.736745      2.835419      8.408024
  H      -3.285754      0.180256      7.936618
  H      -2.902146      1.409926      9.168017
  C      -3.143674     -0.746509      4.148685
  C      -2.324326     -1.042252      2.881219
  C      -2.701642     -0.145759      1.721697
  O      -4.064539     -0.519514      1.328965
  C      -4.408501     -0.284739      0.038086
  C      -4.849489     -1.333268     -0.751088
  C      -5.128245     -1.110622     -2.115906
  N      -4.962355      0.049083     -2.736782
  C      -4.583011      1.105174     -1.968439
  C      -4.410030      2.377731     -2.574501
  C      -4.120908      3.475583     -1.796262
  C      -4.066641      3.324988     -0.398827
  N      -4.154065      2.136610      0.186575
  C      -4.362541      1.008274     -0.560151
  C      -3.525269      5.160044      5.460022
  C      -4.667021      5.286896      4.456994
  C      -4.154888      5.586727      3.052320
  O      -5.070539      5.192520      2.010287
  C      -6.228614      5.860694      1.844979
  C      -6.607186      7.013760      2.514131
  C      -7.857930      7.599642      2.220310
  N      -8.728088      7.140743      1.336179
  C      -8.363395      6.013409      0.655363
  C      -9.242876      5.482771     -0.318937
  C      -8.879184      4.350819     -1.013621
  C      -7.633861      3.748859     -0.730218
  N      -6.779371      4.204130      0.173523
  C      -7.128331      5.321383      0.865094
  C      -6.430911      1.958840      6.247417
  C      -7.110124      3.231121      6.785471
  C      -8.417009      3.514810      6.069619
  O      -8.088858      3.977763      4.735442
  C      -9.079352      3.838649      3.804655
  C     -10.078495      4.778407      3.655335
  C     -11.034282      4.611864      2.626560
  N     -11.042561      3.608535      1.763133
  C     -10.054622      2.675871      1.890524
  C      -9.993790      1.599471      0.971820
  C      -8.990264      0.663963      1.098917
  C      -8.061032      0.795543      2.157980
  N      -8.079909      1.777967      3.044201
  C      -9.047464      2.724419      2.909730
  H      -3.208463     -1.656280      4.772053
  H      -4.174399     -0.499310      3.856124
  H      -1.252311     -0.905994      3.094996
  H      -2.461603     -2.089992      2.572458
  H      -2.040008     -0.308416      0.857430
  H      -2.664168      0.915624      2.006439
  H      -4.926826     -2.333858     -0.324744
  H      -5.463649     -1.949031     -2.733395
  H      -4.538941      2.452658     -3.655406
  H      -3.997371      4.469347     -2.223152
  H      -3.984574      4.181527      0.267577
  H      -2.828540      6.009197      5.318102
  H      -3.944637      5.286078      6.478513
  H      -5.333159      6.088571      4.804078
  H      -5.278496      4.374499      4.438807
  H      -3.256835      4.989651      2.841449
  H      -3.894730      6.652054      2.934276
  H      -5.966144      7.482188      3.258399
  H      -8.148211      8.507528      2.759489
  H     -10.193917      5.989164     -0.488644
  H      -9.535950      3.911932     -1.765562
  H      -7.328141      2.850871     -1.277258
  H      -6.928408      1.075919      6.695500
  H      -6.586183      1.904798      5.161923
  H      -6.442227      4.095645      6.638754
  H      -7.306223      3.151781      7.865982
  H      -9.002660      4.292904      6.587177
  H      -9.036119      2.604474      5.994232
  H     -10.120276      5.649436      4.310422
  H     -11.823069      5.361276      2.508792
  H     -10.746256      1.548370      0.183010
  H      -8.905071     -0.173585      0.404724
  H      -7.261802      0.054648      2.271477
  N      -4.460748      2.184889      3.615328
  N      -5.014764      2.247225      2.581179
  H      -4.464642      2.177423      1.388909
101
Coordinates from ORCA-job orca E -6484.137709418015
  N      -2.583456      0.317064      4.972740
  Mo     -3.520397      2.050073      5.251866
  N      -4.998873      1.911046      6.509509
  C      -4.668056      1.862840      7.940679
  C      -3.274412      1.281913      8.146725
  N      -2.326150      1.871543      7.164788
  C      -1.185842      0.970825      6.859980
  C      -1.653516     -0.177073      5.986231
  C      -1.854072      3.223719      7.551370
  C      -1.546494      3.981881      6.265603
  N      -2.722237      3.900381      5.387723
  H      -0.769420     -0.657877      5.527536
  H      -2.150663     -0.962016      6.591144
  H      -0.450933      1.568990      6.303022
  H      -0.704284      0.614148      7.786410
  H      -1.292161      5.028802      6.497015
  H      -0.664181      3.551614      5.763677
  H      -2.675092      3.727741      8.080419
  H      -0.989993      3.155945      8.235624
  H      -5.395772      1.229647      8.480072
  H      -4.737329      2.871235      8.390288
  H      -3.303036      0.199147      7.964204
  H      -2.920740      1.445367      9.179295
  C      -3.130183     -0.775914      4.163435
  C      -2.297073     -1.055048      2.900378
  C      -2.684934     -0.168807      1.735153
  O      -4.032363     -0.575927      1.319725
  C      -4.347605     -0.348875      0.019118
  C      -4.703292     -1.412440     -0.793258
  C      -4.946120     -1.194945     -2.165572
  N      -4.827028     -0.020351     -2.770754
  C      -4.537642      1.047545     -1.980977
  C      -4.423642      2.335520     -2.572807
  C      -4.225964      3.442980     -1.780009
  C      -4.202542      3.284858     -0.383631
  N      -4.231479      2.085933      0.185418
  C      -4.354721      0.948677     -0.568204
  C      -3.491491      5.151000      5.434491
  C      -4.638552      5.287933      4.438471
  C      -4.140050      5.590506      3.029688
  O      -5.079593      5.217474      2.000853
  C      -6.228653      5.904823      1.857504
  C      -6.581138      7.059451      2.538000
  C      -7.828227      7.663598      2.266302
  N      -8.717997      7.220425      1.393470
  C      -8.378897      6.092049      0.701519
  C      -9.280080      5.577788     -0.261523
  C      -8.942290      4.445279     -0.968318
  C      -7.700085      3.826913     -0.709004
  N      -6.826524      4.266318      0.183933
  C      -7.149516      5.383450      0.888773
  C      -6.430393      1.968827      6.233755
  C      -7.115591      3.240489      6.765762
  C      -8.424485      3.518280      6.050843
  O      -8.105858      3.987692      4.715771
  C      -9.102718      3.840541      3.793063
  C     -10.113485      4.769793      3.655686
  C     -11.079632      4.593482      2.638073
  N     -11.088070      3.590453      1.774130
  C     -10.087079      2.669723      1.887263
  C     -10.024495      1.595682      0.965754
  C      -9.004405      0.675573      1.075143
  C      -8.060245      0.819879      2.119457
  N      -8.083208      1.798038      3.010287
  C      -9.067291      2.729441      2.893606
  H      -3.188178     -1.688275      4.783625
  H      -4.162028     -0.538568      3.866763
  H      -1.230077     -0.895230      3.122460
  H      -2.410607     -2.104612      2.587860
  H      -2.006761     -0.316620      0.880918
  H      -2.679549      0.893100      2.020051
  H      -4.738906     -2.419372     -0.376235
  H      -5.209444     -2.045793     -2.800625
  H      -4.523706      2.410322     -3.656888
  H      -4.153752      4.448238     -2.189945
  H      -4.188528      4.134720      0.295482
  H      -2.786864      5.992911      5.287695
  H      -3.907048      5.285514      6.453774
  H      -5.297111      6.092388      4.793153
  H      -5.254987      4.378418      4.423104
  H      -3.254251      4.983265      2.796979
  H      -3.869060      6.653244      2.913259
  H      -5.922134      7.515529      3.274091
  H      -8.098276      8.572420      2.814433
  H     -10.226986      6.097621     -0.413334
  H      -9.615901      4.018468     -1.712181
  H      -7.412099      2.930408     -1.268483
  H      -6.930143      1.086031      6.680330
  H      -6.579622      1.913092      5.147595
  H      -6.450871      4.107004      6.615229
  H      -7.310928      3.164027      7.846654
  H      -9.014149      4.291876      6.570655
  H      -9.038367      2.604365      5.974658
  H     -10.157767      5.639657      4.312353
  H     -11.878473      5.334085      2.531492
  H     -10.788339      1.534610      0.188504
  H      -8.917337     -0.159170      0.377617
  H      -7.243982      0.094249      2.214500
  N      -4.456727      2.158294      3.608020
  N      -5.024721      2.224518      2.586462
  H      -4.496597      2.141296      1.327654
101
Coordinates from ORCA-job orca E -6484.138434326454
  N      -2.580369      0.312101      4.976061
  Mo     -3.510393      2.050506      5.242751
  N      -4.999074      1.918190      6.492076
  C      -4.676529      1.869483      7.924910
  C      -3.285562      1.286227      8.140761
  N      -2.329944      1.873561      7.165535
  C      -1.190909      0.969421      6.870741
  C      -1.652693     -0.178660      5.993244
  C      -1.855705      3.223542      7.555051
  C      -1.541634      3.982247      6.270734
  N      -2.714982      3.902716      5.390362
  H      -0.763735     -0.654058      5.538048
  H      -2.149122     -0.966530      6.594847
  H      -0.448138      1.564410      6.320780
  H      -0.720001      0.611345      7.802124
  H      -1.286617      5.028416      6.505237
  H      -0.657731      3.551887      5.771441
  H      -2.676923      3.729637      8.081805
  H      -0.994080      3.152473      8.242033
  H      -5.408381      1.238537      8.461413
  H      -4.745268      2.878369      8.373733
  H      -3.313278      0.203166      7.959370
  H      -2.940024      1.450559      9.176058
  C      -3.123523     -0.785168      4.171486
  C      -2.287276     -1.065863      2.910281
  C      -2.668118     -0.180818      1.740393
  O      -4.012213     -0.589100      1.313421
  C      -4.307350     -0.380461      0.003675
  C      -4.609203     -1.462794     -0.805913
  C      -4.826266     -1.268821     -2.185536
  N      -4.732841     -0.096585     -2.799585
  C      -4.498002      0.987516     -2.015048
  C      -4.414215      2.271761     -2.621771
  C      -4.269283      3.395334     -1.841735
  C      -4.268113      3.257147     -0.443220
  N      -4.270513      2.063297      0.139134
  C      -4.342820      0.909672     -0.597879
  C      -3.486027      5.150674      5.442852
  C      -4.630365      5.291649      4.443948
  C      -4.130925      5.609369      3.039295
  O      -5.074351      5.248092      2.009362
  C      -6.219614      5.943286      1.875765
  C      -6.560488      7.097540      2.562365
  C      -7.805006      7.710816      2.300236
  N      -8.702907      7.275842      1.431574
  C      -8.375643      6.147600      0.734246
  C      -9.286143      5.642037     -0.224412
  C      -8.960593      4.509472     -0.936801
  C      -7.720721      3.882728     -0.687545
  N      -6.838669      4.314629      0.200192
  C      -7.149247      5.431304      0.911423
  C      -6.430066      1.972958      6.215073
  C      -7.120479      3.239205      6.754375
  C      -8.432148      3.515041      6.044317
  O      -8.123643      3.994415      4.710545
  C      -9.128555      3.844523      3.797311
  C     -10.147399      4.766689      3.672058
  C     -11.123576      4.583909      2.665157
  N     -11.135569      3.580339      1.801648
  C     -10.127130      2.666426      1.903366
  C     -10.068804      1.590707      0.983522
  C      -9.040445      0.678370      1.081761
  C      -8.083158      0.832661      2.112531
  N      -8.102495      1.811963      3.001988
  C      -9.095439      2.734759      2.896805
  H      -3.180878     -1.696197      4.793902
  H      -4.155474     -0.549667      3.873216
  H      -1.221166     -0.908044      3.136503
  H      -2.403136     -2.115005      2.596868
  H      -1.981750     -0.330606      0.893075
  H      -2.666537      0.881525      2.023473
  H      -4.621869     -2.465529     -0.377847
  H      -5.044364     -2.134374     -2.817507
  H      -4.493412      2.327856     -3.708636
  H      -4.223534      4.397581     -2.262149
  H      -4.290257      4.113275      0.227074
  H      -2.783256      5.995748      5.305656
  H      -3.907537      5.276808      6.460900
  H      -5.292647      6.090334      4.804341
  H      -5.242628      4.378573      4.418376
  H      -3.245969      5.004396      2.798102
  H      -3.860863      6.673285      2.932522
  H      -5.893947      7.546921      3.295625
  H      -8.066170      8.619108      2.853195
  H     -10.230442      6.168581     -0.368650
  H      -9.641563      4.089024     -1.677274
  H      -7.441333      2.986223     -1.251343
  H      -6.927574      1.086255      6.656858
  H      -6.578704      1.922713      5.128639
  H      -6.459340      4.109265      6.608404
  H      -7.314826      3.155375      7.834840
  H      -9.024591      4.282170      6.570505
  H      -9.041008      2.598071      5.964940
  H     -10.191224      5.635079      4.330482
  H     -11.929173      5.318442      2.568488
  H     -10.842676      1.521622      0.217076
  H      -8.957446     -0.158080      0.385843
  H      -7.258897      0.115168      2.197001
  N      -4.439059      2.158744      3.586998
  N      -5.008611      2.232141      2.569707
  H      -4.493726      2.130650      1.265380
101
Coordinates from ORCA-job orca E -6484.139168184465
  N      -2.588759      0.285286      4.993221
  Mo     -3.511565      2.029031      5.243744
  N      -5.008829      1.927249      6.489171
  C      -4.690088      1.892130      7.923049
  C      -3.304428      1.301769      8.150701
  N      -2.341188      1.870986      7.172794
  C      -1.208946      0.953202      6.895748
  C      -1.668244     -0.199420      6.020859
  C      -1.858098      3.222437      7.545606
  C      -1.532865      3.961435      6.251747
  N      -2.703037      3.879665      5.366658
  H      -0.774607     -0.674679      5.574201
  H      -2.168056     -0.985703      6.621775
  H      -0.453925      1.536445      6.349603
  H      -0.752071      0.599083      7.835648
  H      -1.270907      5.008686      6.474276
  H      -0.649194      3.518869      5.762443
  H      -2.677474      3.741808      8.062433
  H      -0.999950      3.153471      8.237318
  H      -5.427892      1.273770      8.466269
  H      -4.751011      2.906942      8.359788
  H      -3.336600      0.216530      7.981975
  H      -2.962671      1.476404      9.185768
  C      -3.116555     -0.813997      4.181267
  C      -2.268231     -1.076004      2.923714
  C      -2.645590     -0.188348      1.753494
  O      -3.976571     -0.609795      1.297361
  C      -4.237701     -0.405211     -0.020842
  C      -4.477084     -1.494144     -0.842923
  C      -4.661037     -1.304387     -2.227664
  N      -4.597935     -0.125688     -2.834432
  C      -4.427739      0.962346     -2.039354
  C      -4.387831      2.252319     -2.641267
  C      -4.309239      3.379510     -1.857357
  C      -4.324611      3.238032     -0.459574
  N      -4.288309      2.041693      0.116528
  C      -4.302214      0.884453     -0.619669
  C      -3.467119      5.131849      5.406139
  C      -4.615215      5.272591      4.410230
  C      -4.129171      5.588859      3.000452
  O      -5.092195      5.236530      1.984212
  C      -6.233564      5.941990      1.873874
  C      -6.551562      7.097589      2.569377
  C      -7.797712      7.719242      2.336766
  N      -8.718456      7.291161      1.488841
  C      -8.414781      6.161734      0.782890
  C      -9.352076      5.661257     -0.152092
  C      -9.052634      4.525830     -0.870954
  C      -7.809947      3.892604     -0.654496
  N      -6.902868      4.319971      0.209969
  C      -7.188524      5.437914      0.930027
  C      -6.439011      1.986578      6.210696
  C      -7.127160      3.253436      6.752068
  C      -8.436878      3.534327      6.041509
  O      -8.129007      4.025520      4.711848
  C      -9.138398      3.878970      3.803820
  C     -10.158998      4.800006      3.684828
  C     -11.140215      4.616710      2.682485
  N     -11.154666      3.614846      1.816726
  C     -10.142155      2.704186      1.910249
  C     -10.082078      1.633267      0.984768
  C      -9.046480      0.727749      1.072238
  C      -8.083516      0.883820      2.097836
  N      -8.106138      1.856886      2.993840
  C      -9.105952      2.773068      2.898875
  H      -3.168486     -1.729407      4.797640
  H      -4.149259     -0.586150      3.879552
  H      -1.205560     -0.910452      3.160275
  H      -2.372620     -2.123497      2.600447
  H      -1.942081     -0.323353      0.917725
  H      -2.665093      0.871898      2.043229
  H      -4.466682     -2.497939     -0.417023
  H      -4.825949     -2.175592     -2.867933
  H      -4.447150      2.306446     -3.729616
  H      -4.304360      4.385124     -2.271579
  H      -4.389128      4.088171      0.215533
  H      -2.759524      5.971918      5.262575
  H      -3.887765      5.269147      6.423402
  H      -5.273484      6.072901      4.774377
  H      -5.229742      4.360200      4.390347
  H      -3.251732      4.978934      2.745031
  H      -3.854455      6.651201      2.890278
  H      -5.865620      7.541584      3.287859
  H      -8.040066      8.628149      2.897378
  H     -10.296853      6.193332     -0.271572
  H      -9.756119      4.106894     -1.590993
  H      -7.550551      2.994542     -1.225565
  H      -6.939136      1.100185      6.650515
  H      -6.586683      1.938901      5.123942
  H      -6.462681      4.121825      6.610314
  H      -7.323998      3.167593      7.831992
  H      -9.031835      4.296384      6.572290
  H      -9.044085      2.617003      5.953178
  H     -10.200441      5.668284      4.343688
  H     -11.947426      5.350448      2.591784
  H     -10.859042      1.563772      0.221337
  H      -8.961960     -0.104684      0.371500
  H      -7.250175      0.174896      2.169128
  N      -4.433548      2.121817      3.583419
  N      -5.003953      2.192386      2.569064
  H      -4.501251      2.089567      1.219744
101
Coordinates from ORCA-job orca E -6484.139994583661
  N      -2.608946      0.257255      5.010226
  Mo     -3.512745      2.010945      5.240497
  N      -5.016765      1.944891      6.482807
  C      -4.700884      1.924152      7.917603
  C      -3.322179      1.322088      8.156871
  N      -2.350393      1.867895      7.174394
  C      -1.229218      0.932172      6.913871
  C      -1.690447     -0.223409      6.041854
  C      -1.849795      3.216984      7.530710
  C      -1.517797      3.937583      6.227853
  N      -2.689950      3.858205      5.345939
  H      -0.794348     -0.697004      5.598143
  H      -2.190445     -1.009016      6.643260
  H      -0.461032      1.500878      6.370703
  H      -0.786377      0.579918      7.861119
  H      -1.243794      4.984199      6.438939
  H      -0.639312      3.480227      5.742569
  H      -2.661253      3.752558      8.043518
  H      -0.991003      3.144817      8.221308
  H      -5.446055      1.321880      8.468906
  H      -4.749434      2.945299      8.341109
  H      -3.363716      0.234752      8.003393
  H      -2.982415      1.507955      9.190758
  C      -3.131188     -0.840859      4.193127
  C      -2.269533     -1.093997      2.941671
  C      -2.624293     -0.196417      1.770447
  O      -3.942004     -0.613364      1.272974
  C      -4.151409     -0.413473     -0.055896
  C      -4.316634     -1.507221     -0.890253
  C      -4.460113     -1.320836     -2.279921
  N      -4.434669     -0.136599     -2.879593
  C      -4.338887      0.953270     -2.075357
  C      -4.355955      2.246880     -2.672603
  C      -4.350020      3.374880     -1.885607
  C      -4.366692      3.229199     -0.488864
  N      -4.284998      2.032015      0.080286
  C      -4.242531      0.874186     -0.653731
  C      -3.446751      5.113676      5.382630
  C      -4.599602      5.252375      4.390825
  C      -4.123820      5.566632      2.976711
  O      -5.102928      5.226502      1.970240
  C      -6.236121      5.947433      1.874196
  C      -6.529575      7.108622      2.571509
  C      -7.770432      7.746076      2.355361
  N      -8.707746      7.329218      1.520225
  C      -8.428514      6.195463      0.811773
  C      -9.384413      5.707521     -0.110949
  C      -9.110243      4.567609     -0.832610
  C      -7.873854      3.917708     -0.631540
  N      -6.950208      4.333514      0.220566
  C      -7.210160      5.455412      0.944072
  C      -6.445874      2.006769      6.202637
  C      -7.129603      3.276730      6.743048
  C      -8.441575      3.560804      6.037938
  O      -8.143788      4.055974      4.706828
  C      -9.162758      3.901605      3.810359
  C     -10.189004      4.817373      3.699219
  C     -11.188125      4.617767      2.718105
  N     -11.216188      3.604239      1.866454
  C     -10.197165      2.700123      1.949916
  C     -10.152153      1.616545      1.038619
  C      -9.107859      0.719773      1.113348
  C      -8.119658      0.898797      2.110553
  N      -8.129528      1.882281      2.995428
  C      -9.139850      2.788085      2.914366
  H      -3.186144     -1.759477      4.804223
  H      -4.161807     -0.611564      3.885546
  H      -1.209637     -0.934904      3.194033
  H      -2.374099     -2.137702      2.606203
  H      -1.898881     -0.324214      0.952405
  H      -2.653911      0.861433      2.067947
  H      -4.283669     -2.510970     -0.465497
  H      -4.564117     -2.195438     -2.928059
  H      -4.398986      2.300034     -3.761714
  H      -4.395933      4.381593     -2.294039
  H      -4.467765      4.070824      0.192737
  H      -2.736523      5.950355      5.232654
  H      -3.864885      5.258023      6.400187
  H      -5.256939      6.052241      4.757196
  H      -5.212252      4.338510      4.375844
  H      -3.255247      4.949388      2.709210
  H      -3.841139      6.626512      2.864447
  H      -5.827885      7.544971      3.279196
  H      -7.993488      8.658689      2.917814
  H     -10.322807      6.253103     -0.218507
  H      -9.828326      4.157265     -1.542923
  H      -7.633713      3.016299     -1.205636
  H      -6.949895      1.121993      6.641530
  H      -6.592638      1.960484      5.115710
  H      -6.462748      4.142631      6.597043
  H      -7.323325      3.193279      7.823635
  H      -9.033902      4.321663      6.573352
  H      -9.049485      2.643808      5.950558
  H     -10.222481      5.692793      4.348923
  H     -12.000513      5.346528      2.634587
  H     -10.947334      1.530188      0.296045
  H      -9.035634     -0.122699      0.423472
  H      -7.276375      0.200275      2.167311
  N      -4.433425      2.091995      3.573468
  N      -5.008053      2.162593      2.563570
  H      -4.517336      2.049079      1.169034
101
Coordinates from ORCA-job orca E -6484.140882405341
  N      -2.609749      0.231584      5.024212
  Mo     -3.511117      1.987737      5.237308
  N      -5.023022      1.946790      6.474405
  C      -4.712566      1.934783      7.910675
  C      -3.337410      1.329880      8.160311
  N      -2.359761      1.864188      7.177162
  C      -1.240315      0.921244      6.931682
  C      -1.701235     -0.242261      6.068413
  C      -1.854755      3.214739      7.520714
  C      -1.514763      3.919249      6.210564
  N      -2.683955      3.834989      5.325225
  H      -0.803196     -0.723079      5.636000
  H      -2.207125     -1.020458      6.674550
  H      -0.463448      1.480352      6.391258
  H      -0.807710      0.574392      7.885932
  H      -1.238589      4.967314      6.412221
  H      -0.635831      3.454225      5.733793
  H      -2.665290      3.760104      8.024513
  H      -0.999155      3.146110      8.215731
  H      -5.462475      1.340387      8.464289
  H      -4.758092      2.959209      8.326855
  H      -3.381634      0.241571      8.014825
  H      -3.001107      1.522448      9.194293
  C      -3.120743     -0.867970      4.200826
  C      -2.253776     -1.111982      2.950384
  C      -2.591967     -0.205521      1.779244
  O      -3.904774     -0.609168      1.254439
  C      -4.075499     -0.417526     -0.082417
  C      -4.166156     -1.515388     -0.922536
  C      -4.276666     -1.333467     -2.315997
  N      -4.288494     -0.148274     -2.914103
  C      -4.263298      0.943087     -2.107427
  C      -4.323980      2.235430     -2.705367
  C      -4.381518      3.363517     -1.920506
  C      -4.413743      3.219740     -0.524213
  N      -4.306719      2.022660      0.043127
  C      -4.202164      0.864958     -0.684244
  C      -3.446243      5.086692      5.359752
  C      -4.603941      5.212914      4.371180
  C      -4.136148      5.533330      2.955394
  O      -5.124918      5.207039      1.952056
  C      -6.254519      5.936326      1.869901
  C      -6.534800      7.096910      2.573579
  C      -7.776029      7.739148      2.374882
  N      -8.725735      7.328032      1.550771
  C      -8.458991      6.196326      0.834615
  C      -9.428682      5.712886     -0.076020
  C      -9.167566      4.573721     -0.803557
  C      -7.929591      3.920899     -0.621888
  N      -6.992115      4.333763      0.216914
  C      -7.240789      5.453229      0.948083
  C      -6.451372      2.022027      6.195378
  C      -7.119971      3.299090      6.738914
  C      -8.433643      3.595295      6.042918
  O      -8.143443      4.098342      4.712604
  C      -9.172900      3.949765      3.827226
  C     -10.196836      4.869326      3.726184
  C     -11.208007      4.671256      2.757075
  N     -11.250553      3.655691      1.908445
  C     -10.234257      2.747641      1.982334
  C     -10.204431      1.660399      1.074678
  C      -9.163153      0.759364      1.140769
  C      -8.162179      0.938269      2.125273
  N      -8.156886      1.925895      3.005236
  C      -9.164822      2.834897      2.932995
  H      -3.172971     -1.790149      4.806661
  H      -4.152238     -0.643269      3.891359
  H      -1.195263     -0.958310      3.210689
  H      -2.360545     -2.153269      2.607268
  H      -1.853309     -0.328500      0.972635
  H      -2.624402      0.850350      2.084586
  H      -4.105356     -2.516978     -0.495894
  H      -4.322696     -2.210523     -2.967363
  H      -4.344330      2.285178     -3.795246
  H      -4.461388      4.367480     -2.331087
  H      -4.552978      4.055064      0.158021
  H      -2.742591      5.927862      5.203121
  H      -3.862021      5.233443      6.378089
  H      -5.266465      6.007056      4.740727
  H      -5.208323      4.293376      4.357227
  H      -3.273225      4.913112      2.677381
  H      -3.848223      6.592315      2.848261
  H      -5.823379      7.528218      3.274627
  H      -7.988526      8.650502      2.943252
  H     -10.367370      6.260720     -0.168692
  H      -9.897677      4.165169     -1.502476
  H      -7.701041      3.019108     -1.199666
  H      -6.963575      1.142222      6.635171
  H      -6.600929      1.978092      5.108623
  H      -6.444751      4.158292      6.591363
  H      -7.309750      3.216767      7.820327
  H      -9.019187      4.355292      6.587008
  H      -9.046402      2.681714      5.953226
  H     -10.219667      5.746416      4.374012
  H     -12.018462      5.403095      2.681944
  H     -11.008714      1.574409      0.341947
  H      -9.103936     -0.087232      0.454700
  H      -7.321972      0.236079      2.175978
  N      -4.424452      2.052492      3.564252
  N      -4.997831      2.118187      2.555650
  H      -4.497762      2.009247      1.114847
101
Coordinates from ORCA-job orca E -6484.141663865003
  N      -2.611055      0.218785      5.031738
  Mo     -3.515001      1.973658      5.237866
  N      -5.030401      1.942091      6.472101
  C      -4.722146      1.930239      7.909239
  C      -3.347319      1.326889      8.161853
  N      -2.368321      1.860005      7.179052
  C      -1.246757      0.916861      6.939604
  C      -1.705850     -0.251083      6.080819
  C      -1.864581      3.212567      7.517737
  C      -1.524294      3.911747      6.204145
  N      -2.691986      3.822967      5.317459
  H      -0.806614     -0.733656      5.652683
  H      -2.211984     -1.026968      6.689687
  H      -0.467279      1.473751      6.401126
  H      -0.817706      0.572470      7.896602
  H      -1.248946      4.961016      6.401196
  H      -0.644845      3.444801      5.730648
  H      -2.675063      3.759793      8.019521
  H      -1.009114      3.147316      8.213292
  H      -5.472874      1.336129      8.462148
  H      -4.768819      2.954661      8.325401
  H      -3.390746      0.238507      8.017623
  H      -3.012590      1.521040      9.196116
  C      -3.107238     -0.879277      4.196537
  C      -2.228958     -1.116403      2.952670
  C      -2.553725     -0.206235      1.780571
  O      -3.860232     -0.608259      1.236316
  C      -4.005578     -0.431987     -0.105916
  C      -4.039471     -1.534063     -0.944277
  C      -4.141346     -1.359456     -2.339796
  N      -4.196690     -0.177425     -2.941412
  C      -4.220917      0.916170     -2.137986
  C      -4.326704      2.204061     -2.738295
  C      -4.423694      3.332077     -1.956352
  C      -4.446000      3.193003     -0.559342
  N      -4.309810      1.997946      0.007591
  C      -4.168431      0.842150     -0.714668
  C      -3.463039      5.069242      5.349070
  C      -4.621044      5.180285      4.358084
  C      -4.152746      5.503543      2.942912
  O      -5.143366      5.188834      1.936135
  C      -6.267654      5.927859      1.856997
  C      -6.535913      7.091609      2.560062
  C      -7.773831      7.741958      2.367152
  N      -8.731693      7.335904      1.549894
  C      -8.477086      6.201317      0.834140
  C      -9.456994      5.719870     -0.066867
  C      -9.208617      4.575762     -0.791373
  C      -7.972395      3.917080     -0.617953
  N      -7.025653      4.328915      0.211094
  C      -7.262692      5.451475      0.940713
  C      -6.458713      2.025976      6.195083
  C      -7.121271      3.298962      6.756248
  C      -8.437777      3.605981      6.071361
  O      -8.152446      4.133364      4.749302
  C      -9.183175      3.994257      3.863638
  C     -10.207292      4.914613      3.772424
  C     -11.218440      4.726346      2.801462
  N     -11.261109      3.719654      1.942458
  C     -10.245779      2.810047      2.008114
  C     -10.216829      1.730781      1.091013
  C      -9.178790      0.825769      1.152134
  C      -8.178770      0.993972      2.139427
  N      -8.170390      1.976228      3.025174
  C      -9.176407      2.887773      2.959343
  H      -3.159530     -1.805056      4.796814
  H      -4.137652     -0.659529      3.879197
  H      -1.172894     -0.963922      3.223253
  H      -2.332072     -2.156943      2.605651
  H      -1.803705     -0.323930      0.983905
  H      -2.593360      0.848679      2.089850
  H      -3.948940     -2.531379     -0.513000
  H      -4.146207     -2.238815     -2.989585
  H      -4.344451      2.249944     -3.828320
  H      -4.534419      4.331706     -2.371146
  H      -4.603991      4.024524      0.123714
  H      -2.767223      5.916238      5.188294
  H      -3.880368      5.217266      6.366645
  H      -5.292341      5.968466      4.724877
  H      -5.215593      4.254728      4.343802
  H      -3.293804      4.879229      2.662422
  H      -3.857989      6.561200      2.840950
  H      -5.818188      7.518726      3.257371
  H      -7.976459      8.655654      2.935234
  H     -10.393489      6.272348     -0.153638
  H      -9.947975      4.167471     -1.480729
  H      -7.754323      3.010632     -1.192426
  H      -6.973853      1.143528      6.626061
  H      -6.610461      1.995130      5.107970
  H      -6.444173      4.158094      6.617788
  H      -7.307254      3.203660      7.837255
  H      -9.022209      4.355178      6.631425
  H      -9.049477      2.693197      5.967742
  H     -10.229573      5.785609      4.428282
  H     -12.028187      5.459564      2.733136
  H     -11.019728      1.653380      0.355879
  H      -9.121949     -0.016366      0.460467
  H      -7.342496      0.287543      2.188677
  N      -4.425931      2.028614      3.561843
  N      -4.998911      2.091647      2.553618
  H      -4.493851      1.977817      1.080546
101
Coordinates from ORCA-job orca E -6484.142393620230
  N      -2.617698      0.204116      5.039319
  Mo     -3.515984      1.961210      5.236723
  N      -5.033262      1.948964      6.469212
  C      -4.726857      1.941472      7.907207
  C      -3.355215      1.332073      8.163161
  N      -2.372714      1.854639      7.177504
  C      -1.254412      0.904354      6.945138
  C      -1.720103     -0.266799      6.094193
  C      -1.862001      3.206989      7.507931
  C      -1.519313      3.897025      6.189540
  N      -2.687207      3.807851      5.303540
  H      -0.824115     -0.760352      5.671829
  H      -2.233140     -1.034035      6.708235
  H      -0.470018      1.453444      6.406423
  H      -0.829702      0.561704      7.904925
  H      -1.239474      4.946408      6.380019
  H      -0.642706      3.422908      5.718389
  H      -2.668841      3.761670      8.007317
  H      -1.006340      3.142012      8.203284
  H      -5.481174      1.353351      8.461672
  H      -4.769231      2.967540      8.319819
  H      -3.405709      0.243564      8.023274
  H      -3.018748      1.528315      9.196450
  C      -3.106012     -0.889757      4.193396
  C      -2.216263     -1.128672      2.958376
  C      -2.516275     -0.212205      1.784909
  O      -3.819505     -0.597832      1.218850
  C      -3.934512     -0.430951     -0.127756
  C      -3.910979     -1.531113     -0.968499
  C      -3.997713     -1.356128     -2.365601
  N      -4.090125     -0.176197     -2.966257
  C      -4.162511      0.914934     -2.162312
  C      -4.302742      2.200368     -2.759201
  C      -4.435636      3.323788     -1.974696
  C      -4.456826      3.182867     -0.578081
  N      -4.301219      1.986912     -0.016286
  C      -4.125202      0.837611     -0.738912
  C      -3.462461      5.051892      5.334609
  C      -4.624978      5.151492      4.346905
  C      -4.162385      5.472923      2.929587
  O      -5.161432      5.171837      1.926119
  C      -6.282825      5.917609      1.857210
  C      -6.542717      7.078362      2.568159
  C      -7.779168      7.734341      2.384933
  N      -8.743007      7.336825      1.570201
  C      -8.496555      6.205752      0.846364
  C      -9.482635      5.732032     -0.052537
  C      -9.241350      4.590467     -0.783895
  C      -8.006739      3.926375     -0.619385
  N      -7.054188      4.332290      0.206174
  C      -7.284353      5.451798      0.942240
  C      -6.460895      2.043220      6.191026
  C      -7.111446      3.323994      6.748604
  C      -8.431522      3.637720      6.072768
  O      -8.156409      4.163684      4.747053
  C      -9.195988      4.025630      3.870570
  C     -10.212729      4.954503      3.781969
  C     -11.236287      4.766697      2.824395
  N     -11.298895      3.751774      1.976688
  C     -10.292165      2.832808      2.040031
  C     -10.286848      1.742220      1.136041
  C      -9.258340      0.826370      1.195024
  C      -8.243363      0.995978      2.166378
  N      -8.212042      1.989643      3.038914
  C      -9.209792      2.910629      2.976389
  H      -3.165128     -1.817918      4.789383
  H      -4.133090     -0.668455      3.866145
  H      -1.162004     -0.986478      3.241537
  H      -2.324202     -2.167724      2.608081
  H      -1.755308     -0.332441      0.999344
  H      -2.552658      0.842201      2.097697
  H      -3.795049     -2.525627     -0.536906
  H      -3.961657     -2.233080     -3.017639
  H      -4.313424      2.248639     -3.849151
  H      -4.569074      4.320710     -2.389905
  H      -4.632381      4.007865      0.108809
  H      -2.772190      5.901785      5.164806
  H      -3.875365      5.203920      6.353305
  H      -5.299967      5.937458      4.711996
  H      -5.213022      4.222593      4.337483
  H      -3.311859      4.840349      2.642423
  H      -3.856445      6.527714      2.830481
  H      -5.820567      7.497779      3.265729
  H      -7.975385      8.645547      2.959123
  H     -10.417540      6.288164     -0.132222
  H      -9.985545      4.188277     -1.471620
  H      -7.795128      3.020955     -1.197616
  H      -6.984509      1.166990      6.624527
  H      -6.612991      2.010889      5.103958
  H      -6.429306      4.177739      6.602539
  H      -7.291309      3.234558      7.831177
  H      -9.006567      4.390621      6.637539
  H      -9.049419      2.728474      5.975637
  H     -10.220128      5.831414      4.430204
  H     -12.040089      5.506542      2.758080
  H     -11.100031      1.664741      0.412348
  H      -9.220079     -0.024729      0.513232
  H      -7.414860      0.280658      2.215537
  N      -4.426617      2.008004      3.557770
  N      -4.998298      2.069290      2.548957
  H      -4.483836      1.948757      1.046009
101
Coordinates from ORCA-job orca E -6484.143111483559
  N      -2.621191      0.190967      5.045356
  Mo     -3.525003      1.944387      5.240067
  N      -5.038387      1.941802      6.476711
  C      -4.727641      1.937702      7.914371
  C      -3.354543      1.330050      8.167038
  N      -2.375677      1.849284      7.175065
  C      -1.255387      0.899608      6.943883
  C      -1.722681     -0.276135      6.100741
  C      -1.865714      3.204502      7.496924
  C      -1.530093      3.888401      6.173395
  N      -2.700109      3.792852      5.291626
  H      -0.828615     -0.773935      5.679411
  H      -2.234899     -1.039049      6.720909
  H      -0.473266      1.447834      6.401431
  H      -0.827623      0.560874      7.903875
  H      -1.250524      4.939352      6.356145
  H      -0.655474      3.411639      5.701503
  H      -2.670628      3.760532      7.997942
  H      -1.006575      3.144628      8.188447
  H      -5.479930      1.349966      8.472086
  H      -4.770217      2.964302      8.325608
  H      -3.406377      0.241271      8.030310
  H      -3.013016      1.529137      9.198058
  C      -3.096887     -0.901184      4.189939
  C      -2.196331     -1.135908      2.962460
  C      -2.477606     -0.213632      1.789598
  O      -3.775598     -0.588661      1.202898
  C      -3.861616     -0.431832     -0.146817
  C      -3.770178     -1.526212     -0.989934
  C      -3.844044     -1.349167     -2.388362
  N      -3.984075     -0.173406     -2.987405
  C      -4.114016      0.912038     -2.182350
  C      -4.296510      2.193550     -2.773911
  C      -4.474854      3.308655     -1.984961
  C      -4.499283      3.162912     -0.589068
  N      -4.312289      1.967669     -0.033685
  C      -4.091342      0.829306     -0.759055
  C      -3.483133      5.032501      5.319827
  C      -4.647688      5.116355      4.332771
  C      -4.181877      5.428564      2.914809
  O      -5.182541      5.140047      1.908845
  C      -6.294206      5.900093      1.835782
  C      -6.539610      7.067479      2.540973
  C      -7.767651      7.738234      2.353424
  N      -8.736497      7.349069      1.540488
  C      -8.504195      6.211361      0.822291
  C      -9.496191      5.744164     -0.074058
  C      -9.268177      4.595766     -0.799450
  C      -8.040781      3.918587     -0.632679
  N      -7.083668      4.318551      0.190633
  C      -7.301139      5.443662      0.921565
  C      -6.466469      2.042409      6.200642
  C      -7.109834      3.322133      6.768668
  C      -8.434985      3.643649      6.106476
  O      -8.166910      4.186519      4.785564
  C      -9.208550      4.061439      3.909089
  C     -10.214887      5.001939      3.825700
  C     -11.241773      4.829988      2.868866
  N     -11.317771      3.818996      2.017813
  C     -10.322197      2.887799      2.076588
  C     -10.332891      1.799383      1.170120
  C      -9.317141      0.869490      1.225431
  C      -8.297325      1.024218      2.194157
  N      -8.249729      2.016741      3.067364
  C      -9.236587      2.949932      3.010516
  H      -3.155787     -1.832205      4.781768
  H      -4.122301     -0.684684      3.854789
  H      -1.144105     -0.998689      3.256761
  H      -2.303331     -2.173811      2.608522
  H      -1.706462     -0.331732      1.013834
  H      -2.515967      0.840059      2.106573
  H      -3.618575     -2.516402     -0.559285
  H      -3.759205     -2.220927     -3.042996
  H      -4.298881      2.246968     -3.863698
  H      -4.635759      4.301779     -2.400046
  H      -4.703733      3.978031      0.102243
  H      -2.799575      5.885866      5.139764
  H      -3.892760      5.190123      6.338838
  H      -5.328600      5.900959      4.689863
  H      -5.229161      4.184282      4.329894
  H      -3.340532      4.782719      2.630490
  H      -3.859784      6.478637      2.815431
  H      -5.813060      7.480561      3.237923
  H      -7.952257      8.654982      2.922731
  H     -10.424585      6.310688     -0.156737
  H     -10.017559      4.199026     -1.484944
  H      -7.839407      3.007863     -1.206409
  H      -6.993907      1.166001      6.629060
  H      -6.620492      2.018131      5.113543
  H      -6.426882      4.175150      6.622857
  H      -7.281632      3.226811      7.852142
  H      -9.005189      4.389863      6.684873
  H      -9.054345      2.736194      6.002754
  H     -10.211278      5.876205      4.477543
  H     -12.036974      5.579419      2.806272
  H     -11.148160      1.734677      0.447489
  H      -9.291915      0.019311      0.541904
  H      -7.479295      0.297160      2.242463
  N      -4.442882      1.977441      3.563788
  N      -5.015852      2.033610      2.556045
  H      -4.483238      1.909859      1.025858
101
Coordinates from ORCA-job orca E -6484.143690137117
  N      -2.625467      0.183167      5.044698
  Mo     -3.531051      1.935342      5.238455
  N      -5.041893      1.940681      6.477097
  C      -4.728941      1.935868      7.914584
  C      -3.356319      1.325712      8.163851
  N      -2.378389      1.842233      7.168953
  C      -1.257732      0.891931      6.938716
  C      -1.729999     -0.285253      6.101605
  C      -1.868167      3.198989      7.487073
  C      -1.536293      3.881186      6.161184
  N      -2.707067      3.783007      5.281003
  H      -0.839784     -0.791422      5.682336
  H      -2.245825     -1.042016      6.726464
  H      -0.476140      1.438495      6.394250
  H      -0.828683      0.554633      7.898786
  H      -1.257048      4.932851      6.340645
  H      -0.662932      3.403233      5.688427
  H      -2.671682      3.755487      7.989755
  H      -1.007105      3.141227      8.176353
  H      -5.481095      1.348383      8.472773
  H      -4.770638      2.962048      8.326844
  H      -3.412278      0.237339      8.026272
  H      -3.010649      1.523016      9.193742
  C      -3.090882     -0.906590      4.180953
  C      -2.176529     -1.144976      2.965410
  C      -2.433440     -0.218648      1.791334
  O      -3.728489     -0.579522      1.188080
  C      -3.794288     -0.434295     -0.163774
  C      -3.654267     -1.524555     -1.004954
  C      -3.720512     -1.348448     -2.404576
  N      -3.894660     -0.178803     -3.005664
  C      -4.063577      0.903640     -2.203176
  C      -4.272507      2.180560     -2.793117
  C      -4.477946      3.290745     -2.002635
  C      -4.504908      3.144362     -0.606858
  N      -4.302141      1.949762     -0.053322
  C      -4.051885      0.819345     -0.779914
  C      -3.497775      5.018410      5.309661
  C      -4.666089      5.090044      4.325617
  C      -4.202893      5.399299      2.906603
  O      -5.206765      5.119469      1.901055
  C      -6.315600      5.884590      1.830752
  C      -6.555073      7.051669      2.538298
  C      -7.780141      7.728503      2.352024
  N      -8.751557      7.345514      1.539045
  C      -8.525063      6.208067      0.818458
  C      -9.519112      5.746385     -0.078921
  C      -9.295019      4.598834     -0.807367
  C      -8.069950      3.916459     -0.642794
  N      -7.111569      4.311788      0.181429
  C      -7.325294      5.435558      0.915121
  C      -6.470031      2.050756      6.202831
  C      -7.104480      3.331919      6.777041
  C      -8.432970      3.660047      6.124876
  O      -8.170609      4.211371      4.806202
  C      -9.216116      4.097375      3.932771
  C     -10.209055      5.051989      3.849652
  C     -11.240921      4.892631      2.896117
  N     -11.334418      3.880057      2.048798
  C     -10.353058      2.933981      2.108405
  C     -10.384194      1.841461      1.207358
  C      -9.384066      0.895111      1.264394
  C      -8.358805      1.037905      2.229129
  N      -8.291208      2.034687      3.096211
  C      -9.263393      2.983238      3.038374
  H      -3.156157     -1.838445      4.771222
  H      -4.112256     -0.691046      3.833341
  H      -1.126787     -1.017061      3.273365
  H      -2.286551     -2.182238      2.610500
  H      -1.653835     -0.340472      1.024872
  H      -2.468258      0.835273      2.109575
  H      -3.476502     -2.509791     -0.572885
  H      -3.602151     -2.216639     -3.058858
  H      -4.269445      2.236633     -3.882765
  H      -4.653003      4.280287     -2.421209
  H      -4.725914      3.954550      0.085410
  H      -2.820931      5.875563      5.121707
  H      -3.902982      5.178236      6.329896
  H      -5.351803      5.871785      4.679901
  H      -5.241172      4.154607      4.327756
  H      -3.367579      4.746305      2.621261
  H      -3.871265      6.446696      2.809054
  H      -5.826743      7.459629      3.236534
  H      -7.959923      8.645294      2.922817
  H     -10.445384      6.316491     -0.160605
  H     -10.046111      4.207511     -1.494183
  H      -7.871872      3.006165     -1.218237
  H      -7.002717      1.176379      6.628808
  H      -6.625804      2.031461      5.115884
  H      -6.419362      4.182913      6.630161
  H      -7.270012      3.234346      7.861377
  H      -8.997593      4.403904      6.711712
  H      -9.055207      2.754909      6.019192
  H     -10.191168      5.927373      4.499705
  H     -12.025299      5.653338      2.833260
  H     -11.202497      1.786752      0.487344
  H      -9.374888      0.041447      0.584868
  H      -7.553908      0.296984      2.281280
  N      -4.451548      1.960771      3.562780
  N      -5.021087      2.014655      2.552830
  H      -4.471871      1.886696      1.003901
101
Coordinates from ORCA-job orca E -6484.144159146242
  N      -2.629672      0.172136      5.045758
  Mo     -3.538976      1.922114      5.237789
  N      -5.044694      1.936204      6.481601
  C      -4.726634      1.934647      7.918202
  C      -3.353483      1.323815      8.163161
  N      -2.378964      1.836191      7.162242
  C      -1.257833      0.885804      6.932977
  C      -1.732954     -0.294115      6.102202
  C      -1.868860      3.195243      7.473019
  C      -1.543594      3.873057      6.143117
  N      -2.716710      3.770122      5.267026
  H      -0.845311     -0.804773      5.683144
  H      -2.248702     -1.046831      6.732116
  H      -0.478360      1.431326      6.384604
  H      -0.826016      0.551975      7.893060
  H      -1.264492      4.925803      6.316673
  H      -0.672044      3.393280      5.668879
  H      -2.670519      3.752562      7.977750
  H      -1.004535      3.141325      8.158487
  H      -5.477016      1.348368      8.480094
  H      -4.766955      2.961502      8.328770
  H      -3.412373      0.235296      8.028055
  H      -3.002219      1.522753      9.190766
  C      -3.085734     -0.917179      4.177094
  C      -2.158942     -1.155929      2.971762
  C      -2.394353     -0.223300      1.799318
  O      -3.684309     -0.569744      1.176506
  C      -3.724028     -0.431820     -0.176734
  C      -3.528008     -1.513183     -1.017731
  C      -3.580657     -1.334167     -2.418193
  N      -3.792051     -0.170865     -3.019083
  C      -4.009641      0.903693     -2.217061
  C      -4.252702      2.175263     -2.803485
  C      -4.497444      3.276074     -2.009800
  C      -4.529655      3.125309     -0.614925
  N      -4.300449      1.933124     -0.065248
  C      -4.012358      0.814126     -0.794247
  C      -3.512743      5.002571      5.294663
  C      -4.685388      5.063634      4.314771
  C      -4.224502      5.364315      2.893553
  O      -5.232391      5.091751      1.890061
  C      -6.334889      5.865901      1.818499
  C      -6.564127      7.036615      2.523377
  C      -7.782966      7.724155      2.334513
  N      -8.757518      7.348329      1.521942
  C      -8.540974      6.207232      0.803935
  C      -9.538153      5.752484     -0.093791
  C      -9.322601      4.602327     -0.820960
  C      -8.103189      3.909943     -0.654946
  N      -7.142900      4.298537      0.170239
  C      -7.348195      5.424490      0.902688
  C      -6.473330      2.050457      6.210010
  C      -7.102397      3.330761      6.791175
  C      -8.433694      3.664747      6.147772
  O      -8.174601      4.227544      4.833219
  C      -9.222583      4.129380      3.960837
  C     -10.197225      5.102550      3.877465
  C     -11.232951      4.962078      2.925280
  N     -11.347140      3.950103      2.079956
  C     -10.384229      2.985277      2.140042
  C     -10.438894      1.891492      1.241708
  C      -9.458000      0.925443      1.299038
  C      -8.427719      1.050372      2.260861
  N      -8.337932      2.047965      3.125110
  C      -9.292012      3.014973      3.068022
  H      -3.154566     -1.849805      4.766119
  H      -4.103943     -0.703849      3.819576
  H      -1.111710     -1.036172      3.292271
  H      -2.270560     -2.191713      2.613109
  H      -1.605738     -0.345607      1.042283
  H      -2.427878      0.829842      2.121707
  H      -3.321789     -2.493124     -0.586175
  H      -3.421530     -2.195194     -3.073393
  H      -4.241390      2.236887     -3.892792
  H      -4.694963      4.261192     -2.428992
  H      -4.776514      3.926460      0.079484
  H      -2.840475      5.861334      5.097306
  H      -3.912530      5.167097      6.316143
  H      -5.373618      5.845006      4.664937
  H      -5.256709      4.126491      4.324792
  H      -3.396736      4.701476      2.609033
  H      -3.881646      6.407914      2.793340
  H      -5.832672      7.439373      3.221435
  H      -7.954528      8.644084      2.902840
  H     -10.459512      6.330194     -0.177430
  H     -10.076223      4.217464     -1.508768
  H      -7.911501      2.997804     -1.229694
  H      -7.008537      1.176118      6.632861
  H      -6.630960      2.036442      5.123313
  H      -6.416698      4.181174      6.644091
  H      -7.262180      3.229562      7.876098
  H      -8.994627      4.404478      6.743302
  H      -9.057735      2.761535      6.037030
  H     -10.161763      5.977944      4.526764
  H     -12.002479      5.737733      2.861823
  H     -11.259527      1.851501      0.523384
  H      -9.467145      0.070393      0.621302
  H      -7.637851      0.293719      2.314185
  N      -4.467246      1.935885      3.565086
  N      -5.036639      1.985242      2.554993
  H      -4.471416      1.853577      0.986293
101
Coordinates from ORCA-job orca E -6484.144576171805
  N      -2.632355      0.164297      5.043557
  Mo     -3.546803      1.911719      5.235806
  N      -5.047162      1.929948      6.484942
  C      -4.724012      1.929682      7.920545
  C      -3.349698      1.319499      8.160272
  N      -2.379233      1.830662      7.154433
  C      -1.256564      0.882086      6.924587
  C      -1.733811     -0.299962      6.099082
  C      -1.871280      3.192251      7.460225
  C      -1.553164      3.868379      6.127535
  N      -2.728510      3.760724      5.255243
  H      -0.848476     -0.814099      5.679629
  H      -2.248844     -1.049614      6.733345
  H      -0.480264      1.428079      6.372305
  H      -0.820963      0.551410      7.884078
  H      -1.275595      4.922212      6.297102
  H      -0.682668      3.388808      5.651186
  H      -2.672056      3.748346      7.967675
  H      -1.003811      3.142207      8.141982
  H      -5.471860      1.342742      8.485168
  H      -4.764314      2.956528      8.330977
  H      -3.409985      0.230988      8.025936
  H      -2.993377      1.518903      9.185984
  C      -3.079507     -0.925746      4.171671
  C      -2.140568     -1.167398      2.976917
  C      -2.354595     -0.229984      1.805255
  O      -3.640118     -0.562850      1.165741
  C      -3.659152     -0.431898     -0.188247
  C      -3.413026     -1.503995     -1.027538
  C      -3.453105     -1.322697     -2.428619
  N      -3.696450     -0.166532     -3.030566
  C      -3.957925      0.899944     -2.230305
  C      -4.228670      2.165875     -2.814842
  C      -4.508780      3.257763     -2.019453
  C      -4.549970      3.103185     -0.625428
  N      -4.299200      1.913760     -0.077734
  C      -3.975789      0.805831     -0.808038
  C      -3.530679      4.989650      5.282792
  C      -4.707238      5.040573      4.306782
  C      -4.248856      5.334855      2.883790
  O      -5.259535      5.066732      1.881926
  C      -6.357075      5.847803      1.808103
  C      -6.578995      7.021361      2.510584
  C      -7.792328      7.717705      2.317652
  N      -8.768133      7.347921      1.503814
  C      -8.558757      6.203872      0.788236
  C      -9.556820      5.755163     -0.111767
  C      -9.346989      4.603166     -0.837916
  C      -8.132647      3.902426     -0.668683
  N      -7.172408      4.285173      0.159301
  C      -7.372072      5.412652      0.890659
  C      -6.476435      2.047604      6.217032
  C      -7.101066      3.325290      6.807746
  C      -8.433822      3.666070      6.171227
  O      -8.175179      4.242090      4.862440
  C      -9.224471      4.162053      3.989966
  C     -10.178961      5.154840      3.905998
  C     -11.217463      5.035324      2.954096
  N     -11.352918      4.024931      2.110154
  C     -10.410329      3.040238      2.171289
  C     -10.489247      1.946173      1.275149
  C      -9.529628      0.959211      1.333557
  C      -8.495746      1.063957      2.293910
  N      -8.383094      2.061384      3.155800
  C      -9.316918      3.048207      3.098418
  H      -3.152785     -1.857942      4.761189
  H      -4.094210     -0.714500      3.803593
  H      -1.096029     -1.056041      3.309802
  H      -2.254368     -2.202030      2.615665
  H      -1.558084     -0.354361      1.056947
  H      -2.385797      0.822823      2.130164
  H      -3.180756     -2.478010     -0.595737
  H      -3.257299     -2.176432     -3.083515
  H      -4.207444      2.232687     -3.903699
  H      -4.723560      4.238608     -2.440447
  H      -4.821481      3.896269      0.069378
  H      -2.863444      5.850666      5.077845
  H      -3.925849      5.157059      6.305473
  H      -5.398571      5.820569      4.653890
  H      -5.274186      4.101238      4.323435
  H      -3.426297      4.665193      2.600378
  H      -3.898240      6.375727      2.781403
  H      -5.846053      7.419832      3.209605
  H      -7.957931      8.640149      2.883718
  H     -10.473959      6.339061     -0.198549
  H     -10.101425      4.224016     -1.528093
  H      -7.945083      2.989056     -1.242861
  H      -7.012955      1.171960      6.635465
  H      -6.636432      2.040617      5.130686
  H      -6.414795      4.175706      6.663619
  H      -7.256801      3.217775      7.892688
  H      -8.992395      4.400662      6.775301
  H      -9.059351      2.764953      6.052658
  H     -10.125324      6.029316      4.555264
  H     -11.970664      5.826736      2.889725
  H     -11.311163      1.922518      0.557573
  H      -9.557691      0.103409      0.657330
  H      -7.722877      0.290245      2.349287
  N      -4.482397      1.915165      3.566173
  N      -5.051077      1.960220      2.555614
  H      -4.469780      1.826700      0.970930
101
Coordinates from ORCA-job orca E -6484.144968930023
  N      -2.634683      0.155476      5.041331
  Mo     -3.554681      1.900246      5.233130
  N      -5.049515      1.922618      6.487932
  C      -4.721022      1.924246      7.922407
  C      -3.345389      1.315274      8.157027
  N      -2.379399      1.825312      7.146107
  C      -1.255016      0.878838      6.916103
  C      -1.733380     -0.305723      6.095670
  C      -1.874161      3.189691      7.446372
  C      -1.563384      3.863699      6.110717
  N      -2.740978      3.750574      5.242341
  H      -0.849690     -0.821913      5.675493
  H      -2.246666     -1.053168      6.734041
  H      -0.481927      1.425397      6.359933
  H      -0.815857      0.551818      7.875219
  H      -1.287769      4.918746      6.276054
  H      -0.693632      3.384656      5.632444
  H      -2.674316      3.744432      7.956250
  H      -1.003584      3.144041      8.124441
  H      -5.466005      1.336723      8.490246
  H      -4.761365      2.951270      8.332223
  H      -3.406366      0.226646      8.023979
  H      -2.984211      1.515824      9.180770
  C      -3.073592     -0.935996      4.167730
  C      -2.122370     -1.180983      2.983981
  C      -2.314022     -0.237741      1.814154
  O      -3.594739     -0.554290      1.156937
  C      -3.591102     -0.429565     -0.197342
  C      -3.292922     -1.490537     -1.033570
  C      -3.319251     -1.307177     -2.435129
  N      -3.595914     -0.159880     -3.039207
  C      -3.903866      0.896668     -2.241821
  C      -4.205437      2.155047     -2.825986
  C      -4.524341      3.236742     -2.030282
  C      -4.573801      3.079113     -0.637133
  N      -4.298054      1.894408     -0.090106
  C      -3.937234      0.798373     -0.820278
  C      -3.548858      4.976152      5.269137
  C      -4.729478      5.017390      4.297278
  C      -4.274500      5.303727      2.871936
  O      -5.289160      5.039126      1.873207
  C      -6.380308      5.828829      1.796369
  C      -6.592496      7.006635      2.494785
  C      -7.799063      7.713587      2.297398
  N      -8.777129      7.350286      1.483397
  C      -8.577381      6.201863      0.771963
  C      -9.577606      5.759780     -0.129072
  C      -9.376036      4.604697     -0.852806
  C      -8.167909      3.893859     -0.680288
  N      -7.206567      4.270057      0.149399
  C      -7.398173      5.400223      0.878569
  C      -6.479582      2.042050      6.224135
  C      -7.101304      3.315750      6.825564
  C      -8.434729      3.663403      6.194579
  O      -8.174964      4.255222      4.893269
  C      -9.224929      4.194859      4.020269
  C     -10.157956      5.207729      3.936439
  C     -11.198991      5.110786      2.984849
  N     -11.356617      4.103083      2.141656
  C     -10.435275      3.098362      2.202742
  C     -10.539219      2.005505      1.307760
  C      -9.601333      0.997956      1.365550
  C      -8.563595      1.081319      2.323833
  N      -8.427759      2.076805      3.184764
  C      -9.340942      3.083097      3.128781
  H      -3.151884     -1.867362      4.758250
  H      -4.084532     -0.726286      3.789063
  H      -1.080732     -1.079372      3.329550
  H      -2.239342     -2.213983      2.619109
  H      -1.509520     -0.364545      1.074889
  H      -2.342038      0.814398      2.142553
  H      -3.033712     -2.457260     -0.600644
  H      -3.084773     -2.152281     -3.088583
  H      -4.174296      2.226521     -3.914312
  H      -4.759811      4.211902     -2.453581
  H      -4.872163      3.863334      0.057036
  H      -2.886159      5.838947      5.056727
  H      -3.939639      5.146801      6.292869
  H      -5.423090      5.796712      4.641261
  H      -5.292781      4.076306      4.321569
  H      -3.457470      4.626943      2.589634
  H      -3.916301      6.341662      2.765574
  H      -5.857001      7.400613      3.193708
  H      -7.956793      8.639564      2.859990
  H     -10.489455      6.351373     -0.219207
  H     -10.132191      4.231737     -1.544550
  H      -7.986227      2.978526     -1.253272
  H      -7.016232      1.164016      6.637334
  H      -6.642110      2.042927      5.138225
  H      -6.414803      4.166774      6.686245
  H      -7.254173      3.200369      7.910117
  H      -8.992529      4.391303      6.807436
  H      -9.060891      2.764241      6.065515
  H     -10.085419      6.080240      4.586493
  H     -11.934882      5.918266      2.920258
  H     -11.362532      1.999022      0.591436
  H      -9.648739      0.142600      0.689877
  H      -7.807659      0.291175      2.379191
  N      -4.498122      1.892186      3.566671
  N      -5.066460      1.932286      2.555880
  H      -4.470062      1.796395      0.954414
101
Coordinates from ORCA-job orca E -6484.145366987885
  N      -2.637491      0.146444      5.038846
  Mo     -3.563073      1.888668      5.230362
  N      -5.051771      1.915053      6.491450
  C      -4.717444      1.919096      7.924654
  C      -3.340260      1.311726      8.153829
  N      -2.379233      1.820326      7.137236
  C      -1.253344      0.875819      6.906779
  C      -1.733345     -0.311487      6.092065
  C      -1.876495      3.187495      7.431373
  C      -1.573754      3.859025      6.092490
  N      -2.754145      3.740372      5.228846
  H      -0.851452     -0.829982      5.671174
  H      -2.244863     -1.056420      6.734865
  H      -0.483751      1.422584      6.346025
  H      -0.810090      0.552832      7.865371
  H      -1.299921      4.915264      6.253263
  H      -0.705052      3.380369      5.611901
  H      -2.675707      3.741066      7.943950
  H      -1.002470      3.146330      8.105261
  H      -5.459183      1.331013      8.496191
  H      -4.757873      2.946409      8.333571
  H      -3.401717      0.222910      8.022670
  H      -2.973918      1.513994      9.175363
  C      -3.067983     -0.946666      4.163667
  C      -2.103663     -1.196262      2.991978
  C      -2.271300     -0.247572      1.823934
  O      -3.546715     -0.547149      1.148771
  C      -3.520727     -0.428287     -0.205338
  C      -3.168361     -1.475472     -1.037605
  C      -3.181092     -1.289571     -2.439404
  N      -3.492707     -0.152853     -3.046159
  C      -3.849492      0.891275     -2.252330
  C      -4.183612      2.140747     -2.836473
  C      -4.544286      3.210148     -2.040925
  C      -4.603659      3.048583     -0.648899
  N      -4.300599      1.869833     -0.102405
  C      -3.899052      0.787889     -0.831838
  C      -3.567305      4.962807      5.254956
  C      -4.752358      4.994286      4.287923
  C      -4.301736      5.272357      2.859893
  O      -5.321270      5.011441      1.865183
  C      -6.405238      5.810744      1.785470
  C      -6.606728      6.992826      2.479899
  C      -7.805838      7.711276      2.278035
  N      -8.786260      7.355450      1.463605
  C      -8.597058      6.202698      0.756213
  C      -9.599626      5.768140     -0.146036
  C      -9.407320      4.609767     -0.867180
  C      -8.206292      3.887710     -0.690914
  N      -7.243746      4.256492      0.140681
  C      -7.426244      5.389615      0.867331
  C      -6.482715      2.035409      6.231982
  C      -7.102304      3.304799      6.843819
  C      -8.435893      3.659206      6.217249
  O      -8.174089      4.267981      4.924304
  C      -9.223972      4.227560      4.050220
  C     -10.135486      5.259809      3.967318
  C     -11.178842      5.185649      3.016354
  N     -11.358401      4.181563      2.173359
  C     -10.458129      3.157743      2.233268
  C     -10.586608      2.067523      1.338371
  C      -9.669989      1.040577      1.393962
  C      -8.628280      1.102414      2.349543
  N      -8.469837      2.094576      3.210614
  C      -9.362972      3.119134      3.157709
  H      -3.152559     -1.876797      4.755579
  H      -4.074503     -0.737965      3.773320
  H      -1.065458     -1.105183      3.351148
  H      -2.224152     -2.227559      2.623456
  H      -1.458587     -0.377617      1.094298
  H      -2.295676      0.803943      2.155582
  H      -2.880097     -2.433265     -0.603134
  H      -2.906210     -2.124082     -3.090779
  H      -4.141494      2.217657     -3.924052
  H      -4.801564      4.178862     -2.466458
  H      -4.931782      3.822098      0.044206
  H      -2.909109      5.827162      5.034702
  H      -3.953338      5.136916      6.279822
  H      -5.448046      5.773005      4.629003
  H      -5.311966      4.051558      4.320418
  H      -3.490596      4.588415      2.578065
  H      -3.935982      6.307221      2.749053
  H      -5.868484      7.381599      3.178867
  H      -7.954937      8.640772      2.837209
  H     -10.505582      6.368145     -0.239644
  H     -10.165400      4.243479     -1.560462
  H      -8.031301      2.970137     -1.262455
  H      -7.018982      1.154753      6.640040
  H      -6.647811      2.043877      5.146571
  H      -6.415677      4.156609      6.710010
  H      -7.253136      3.181283      7.927750
  H      -8.993870      4.379624      6.838757
  H      -9.062213      2.761998      6.076397
  H     -10.044415      6.129439      4.618901
  H     -11.897436      6.008555      2.952260
  H     -11.411264      2.078370      0.623658
  H      -9.736329      0.186759      0.717978
  H      -7.888727      0.296915      2.403374
  N      -4.515763      1.868762      3.567810
  N      -5.084875      1.903640      2.557568
  H      -4.474566      1.764905      0.937903
101
Coordinates from ORCA-job orca E -6484.145775396491
  N      -2.640779      0.136749      5.036542
  Mo     -3.571052      1.876851      5.227227
  N      -5.053940      1.908580      6.494242
  C      -4.714180      1.915502      7.926206
  C      -3.335923      1.308917      8.150531
  N      -2.379348      1.815038      7.128336
  C      -1.252478      0.871698      6.898088
  C      -1.734266     -0.318205      6.088938
  C      -1.878334      3.184751      7.415991
  C      -1.582751      3.853118      6.073743
  N      -2.765795      3.729311      5.214605
  H      -0.854148     -0.839201      5.667643
  H      -2.244460     -1.060476      6.735931
  H      -0.485708      1.418037      6.333099
  H      -0.805903      0.552612      7.856435
  H      -1.310171      4.910421      6.229729
  H      -0.715229      3.374208      5.591242
  H      -2.676413      3.737899      7.930747
  H      -1.001149      3.147740      8.085984
  H      -5.453139      1.327594      8.501546
  H      -4.754129      2.943326      8.333722
  H      -3.398449      0.219887      8.021706
  H      -2.964572      1.513101      9.169840
  C      -3.063857     -0.957688      4.160007
  C      -2.086634     -1.212731      3.000662
  C      -2.228274     -0.257561      1.835468
  O      -3.498262     -0.536677      1.141713
  C      -3.448865     -0.423120     -0.211734
  C      -3.042051     -1.454670     -1.038464
  C      -3.040693     -1.266521     -2.440370
  N      -3.387246     -0.142247     -3.051119
  C      -3.793385      0.887876     -2.262285
  C      -4.160563      2.126731     -2.847864
  C      -4.563911      3.182781     -2.053919
  C      -4.633380      3.017938     -0.663059
  N      -4.302043      1.846735     -0.115800
  C      -3.859246      0.779763     -0.842991
  C      -3.583499      4.949061      5.239377
  C      -4.773025      4.971182      4.277279
  C      -4.327429      5.239734      2.846163
  O      -5.352987      4.982576      1.856698
  C      -6.428888      5.792512      1.774703
  C      -6.617570      6.979375      2.464674
  C      -7.808665      7.710251      2.259541
  N      -8.792847      7.362336      1.446270
  C      -8.616307      6.204791      0.743367
  C      -9.622846      5.778171     -0.158401
  C      -9.441913      4.616074     -0.876637
  C      -8.248474      3.881919     -0.697980
  N      -7.283284      4.242818      0.133982
  C      -7.454593      5.379348      0.857810
  C      -6.485686      2.029611      6.238715
  C      -7.103406      3.295294      6.859362
  C      -8.437165      3.655436      6.236673
  O      -8.173714      4.279955      4.951695
  C      -9.224076      4.258601      4.077684
  C     -10.114072      5.309443      3.995723
  C     -11.160466      5.256765      3.046767
  N     -11.362641      4.255778      2.205298
  C     -10.483266      3.213768      2.263846
  C     -10.636839      2.125800      1.370284
  C      -9.741073      1.080579      1.423290
  C      -8.694432      1.122372      2.374545
  N      -8.513029      2.111483      3.234769
  C      -9.386547      3.153220      3.185281
  H      -3.155890     -1.886518      4.753156
  H      -4.065513     -0.748805      3.757903
  H      -1.052111     -1.134263      3.373711
  H      -2.212256     -2.241772      2.627574
  H      -1.407494     -0.391887      1.115727
  H      -2.247075      0.792989      2.171387
  H      -2.724793     -2.402077     -0.601350
  H      -2.725106     -2.089161     -3.088442
  H      -4.107377      2.208636     -3.934590
  H      -4.843577      4.143926     -2.482578
  H      -4.992187      3.780004      0.027920
  H      -2.929246      5.814390      5.011063
  H      -3.964854      5.127263      6.265213
  H      -5.470065      5.750007      4.615264
  H      -5.329631      4.027277      4.318689
  H      -3.522933      4.547936      2.564678
  H      -3.953539      6.271111      2.729776
  H      -5.875331      7.362597      3.162496
  H      -7.947462      8.643600      2.814987
  H     -10.522393      6.387323     -0.254516
  H     -10.203095      4.256813     -1.570272
  H      -8.081791      2.961785     -1.267965
  H      -7.021627      1.146731      6.642342
  H      -6.653044      2.044576      5.153797
  H      -6.416726      4.147776      6.730117
  H      -7.252327      3.164940      7.942743
  H      -8.995671      4.368674      6.865969
  H      -9.063293      2.759946      6.084905
  H     -10.004096      6.176451      4.647896
  H     -11.861883      6.094369      2.983266
  H     -11.463596      2.152751      0.658440
  H      -9.826732      0.228022      0.747924
  H      -7.970789      0.302520      2.426294
  N      -4.532661      1.844986      3.568511
  N      -5.102258      1.874679      2.558734
  H      -4.478137      1.733169      0.920498
101
Coordinates from ORCA-job orca E -6484.146173940681
  N      -2.643836      0.127109      5.033960
  Mo     -3.578981      1.864934      5.223953
  N      -5.056049      1.901799      6.496804
  C      -4.710944      1.911467      7.927510
  C      -3.331601      1.305716      8.146949
  N      -2.379537      1.809572      7.119273
  C      -1.251484      0.867627      6.889140
  C      -1.734778     -0.324823      6.085374
  C      -1.880531      3.181882      7.400589
  C      -1.592127      3.847276      6.055066
  N      -2.777728      3.718175      5.200357
  H      -0.856368     -0.848081      5.663540
  H      -2.243438     -1.064615      6.736474
  H      -0.487630      1.413754      6.320043
  H      -0.801584      0.552394      7.847195
  H      -1.321040      4.905659      6.206408
  H      -0.725662      3.368336      5.570659
  H      -2.677599      3.734420      7.917523
  H      -1.000251      3.149108      8.066713
  H      -5.447087      1.323621      8.506544
  H      -4.750521      2.939751      8.333736
  H      -3.395084      0.216488      8.020310
  H      -2.955304      1.511704      9.164046
  C      -3.059603     -0.968540      4.156079
  C      -2.069818     -1.228617      3.009037
  C      -2.186041     -0.266714      1.847599
  O      -3.450106     -0.525239      1.135479
  C      -3.377686     -0.416362     -0.216834
  C      -2.918227     -1.430572     -1.037182
  C      -2.903906     -1.240014     -2.439054
  N      -3.284840     -0.129541     -3.054356
  C      -3.738665      0.885221     -2.271162
  C      -4.138538      2.112407     -2.858576
  C      -4.582921      3.154188     -2.066609
  C      -4.661135      2.986209     -0.676913
  N      -4.301804      1.823374     -0.128571
  C      -3.819470      0.772217     -0.853220
  C      -3.600216      4.935067      5.223835
  C      -4.794187      4.947711      4.266724
  C      -4.353780      5.206774      2.832565
  O      -5.385281      4.953137      1.848401
  C      -6.453267      5.773281      1.764049
  C      -6.629472      6.964697      2.449574
  C      -7.812595      7.707591      2.241055
  N      -8.800267      7.367420      1.428793
  C      -8.636088      6.205297      0.730378
  C      -9.646296      5.786481     -0.171089
  C      -9.476416      4.620855     -0.886430
  C      -8.290556      3.874940     -0.705225
  N      -7.322961      4.228113      0.127239
  C      -7.483412      5.367873      0.848274
  C      -6.488537      2.023528      6.245035
  C      -7.104315      3.285449      6.874487
  C      -8.437892      3.651627      6.255225
  O      -8.171966      4.291656      4.978513
  C      -9.222347      4.289701      4.104463
  C     -10.089937      5.359069      4.023146
  C     -11.138871      5.328236      3.076132
  N     -11.364011      4.330754      2.236419
  C     -10.506369      3.270610      2.293890
  C     -10.685439      2.185320      1.401938
  C      -9.811326      1.121904      1.452598
  C      -8.760140      1.143271      2.399503
  N      -8.555470      2.128894      3.258680
  C      -9.408610      3.187768      3.212372
  H      -3.158938     -1.896190      4.750210
  H      -4.056357     -0.759495      3.742511
  H      -1.039213     -1.162694      3.395657
  H      -2.200328     -2.255229      2.630966
  H      -1.357454     -0.404753      1.137591
  H      -2.199637      0.782613      2.188437
  H      -2.572446     -2.366540     -0.596984
  H      -2.548972     -2.049593     -3.083266
  H      -4.075499      2.199352     -3.944379
  H      -4.884718      4.107146     -2.498607
  H      -5.049237      3.736307      0.011715
  H      -2.950077      5.801427      4.987549
  H      -3.976968      5.117264      6.250592
  H      -5.492673      5.726517      4.601670
  H      -5.347616      4.002615      4.317074
  H      -3.555837      4.507333      2.551510
  H      -3.972029      6.234650      2.710539
  H      -5.883454      7.342498      3.146342
  H      -7.941337      8.644609      2.792784
  H     -10.539459      6.404510     -0.269830
  H     -10.240432      4.268528     -1.580580
  H      -8.131922      2.952405     -1.273699
  H      -7.024274      1.138436      6.644031
  H      -6.658012      2.045143      5.160636
  H      -6.417365      4.138457      6.750164
  H      -7.251726      3.148156      7.957205
  H      -8.996995      4.357779      6.891968
  H      -9.064022      2.758174      6.092305
  H      -9.960756      6.223128      4.675720
  H     -11.822408      6.180484      3.012978
  H     -11.513945      2.228639      0.692950
  H      -9.916595      0.270949      0.778023
  H      -8.052982      0.309137      2.449310
  N      -4.549590      1.820802      3.569306
  N      -5.119572      1.845186      2.559931
  H      -4.481228      1.701027      0.903605
101
Coordinates from ORCA-job orca E -6484.146557875956
  N      -2.645731      0.119549      5.030574
  Mo     -3.586427      1.854612      5.221158
  N      -5.057319      1.894990      6.500035
  C      -4.706905      1.906607      7.929449
  C      -3.326278      1.301909      8.143394
  N      -2.379061      1.804492      7.110487
  C      -1.249336      0.864746      6.879617
  C      -1.733866     -0.329826      6.080590
  C      -1.882794      3.179483      7.386482
  C      -1.601749      3.842977      6.038212
  N      -2.789750      3.708647      5.187726
  H      -0.857259     -0.855214      5.657925
  H      -2.240911     -1.067413      6.735525
  H      -0.488980      1.411495      6.306470
  H      -0.795622      0.553034      7.837000
  H      -1.332596      4.902422      6.185606
  H      -0.736143      3.364627      5.551647
  H      -2.679175      3.730639      7.905900
  H      -0.999475      3.150939      8.048746
  H      -5.439947      1.318045      8.511709
  H      -4.746622      2.935024      8.335134
  H      -3.390521      0.212571      8.018160
  H      -2.944909      1.509048      9.158324
  C      -3.055321     -0.977360      4.151914
  C      -2.054501     -1.243484      3.016335
  C      -2.145911     -0.275230      1.859015
  O      -3.404659     -0.512385      1.130337
  C      -3.311833     -0.407636     -0.220552
  C      -2.804352     -1.403900     -1.034345
  C      -2.778903     -1.210693     -2.436036
  N      -3.191264     -0.114277     -3.055917
  C      -3.688385      0.884907     -2.278500
  C      -4.117174      2.100717     -2.867674
  C      -4.598282      3.128352     -2.077664
  C      -4.685322      2.956861     -0.689215
  N      -4.300894      1.802191     -0.139584
  C      -3.782830      0.766791     -0.861943
  C      -3.617222      4.922573      5.209956
  C      -4.815051      4.925855      4.257307
  C      -4.378879      5.174349      2.820337
  O      -5.415602      4.923396      1.841045
  C      -6.475268      5.753846      1.752638
  C      -6.638838      6.950276      2.432668
  C      -7.813298      7.705536      2.219331
  N      -8.804046      7.372924      1.407773
  C      -8.652496      6.205679      0.714974
  C      -9.666202      5.794437     -0.186187
  C      -9.507699      4.624784     -0.897646
  C      -8.329922      3.866850     -0.712922
  N      -7.360128      4.212378      0.120186
  C      -7.509462      5.355869      0.837627
  C      -6.490613      2.016548      6.251685
  C      -7.105576      3.274443      6.889161
  C      -8.439134      3.645181      6.272688
  O      -8.170729      4.299841      5.004037
  C      -9.220661      4.316934      4.129789
  C     -10.064518      5.404985      4.047766
  C     -11.115088      5.396183      3.102202
  N     -11.363566      4.402208      2.265002
  C     -10.529090      3.323638      2.322835
  C     -10.734248      2.240994      1.433392
  C      -9.883388      1.158949      1.483248
  C      -8.828692      1.159444      2.426460
  N      -8.600159      2.141667      3.283712
  C      -9.431362      3.218177      3.239088
  H      -3.161908     -1.903558      4.747368
  H      -4.047284     -0.767871      3.727676
  H      -1.027697     -1.190582      3.415366
  H      -2.190736     -2.267614      2.633607
  H      -1.310585     -0.417610      1.157850
  H      -2.153292      0.772831      2.204727
  H      -2.431753     -2.328164     -0.591236
  H      -2.388172     -2.006864     -3.076295
  H      -4.045110      2.193049     -3.952469
  H      -4.918945      4.073549     -2.513211
  H      -5.099755      3.695515     -0.003123
  H      -2.971108      5.789928      4.966116
  H      -3.989785      5.108593      6.237463
  H      -5.514963      5.704960      4.588457
  H      -5.365558      3.979854      4.316754
  H      -3.587347      4.466982      2.541181
  H      -3.989057      6.198480      2.692147
  H      -5.889361      7.322783      3.128599
  H      -7.931826      8.646621      2.766470
  H     -10.552548      6.421611     -0.288425
  H     -10.274295      4.279370     -1.592496
  H      -8.179475      2.941606     -1.279291
  H      -7.025719      1.129036      6.646075
  H      -6.661921      2.044405      5.167806
  H      -6.419105      4.128493      6.769332
  H      -7.251480      3.130737      7.971238
  H      -8.999510      4.344294      6.916076
  H      -9.064620      2.753354      6.099157
  H      -9.915719      6.266109      4.700055
  H     -11.779603      6.263241      3.038220
  H     -11.563770      2.300956      0.726806
  H     -10.008763      0.309522      0.810225
  H      -8.139373      0.310569      2.475673
  N      -4.566296      1.798405      3.571000
  N      -5.136034      1.817383      2.561669
  H      -4.481607      1.670918      0.889606
101
Coordinates from ORCA-job orca E -6484.146897466821
  N      -2.647580      0.113279      5.026098
  Mo     -3.593649      1.845718      5.218074
  N      -5.058392      1.888766      6.502833
  C      -4.703000      1.901713      7.930966
  C      -3.321240      1.297764      8.139326
  N      -2.378714      1.799371      7.101601
  C      -1.247405      0.861873      6.869633
  C      -1.733410     -0.334338      6.074841
  C      -1.885245      3.176916      7.373114
  C      -1.611276      3.839311      6.022547
  N      -2.801454      3.700286      5.175887
  H      -0.858782     -0.862303      5.651596
  H      -2.239464     -1.069570      6.733287
  H      -0.490660      1.409430      6.292500
  H      -0.789783      0.553361      7.826154
  H      -1.344033      4.899695      6.166656
  H      -0.746441      3.361785      5.533746
  H      -2.681043      3.726360      7.895172
  H      -0.999030      3.152256      8.031632
  H      -5.433051      1.312150      8.515991
  H      -4.742959      2.930070      8.336587
  H      -3.386442      0.208382      8.015038
  H      -2.934918      1.505551      9.152205
  C      -3.051725     -0.984664      4.146711
  C      -2.040045     -1.257629      3.022823
  C      -2.106728     -0.283544      1.869784
  O      -3.359772     -0.499907      1.125091
  C      -3.248645     -0.398634     -0.224111
  C      -2.697721     -1.376430     -1.031818
  C      -2.663171     -1.179902     -2.433192
  N      -3.104551     -0.097369     -3.057109
  C      -3.640938      0.885836     -2.284923
  C      -4.096326      2.090755     -2.875052
  C      -4.610672      3.103917     -2.086277
  C      -4.705379      2.928105     -0.699171
  N      -4.297542      1.781295     -0.148922
  C      -3.747159      0.761906     -0.869851
  C      -3.633677      4.911389      5.196874
  C      -4.835030      4.905855      4.248370
  C      -4.402851      5.143336      2.808663
  O      -5.444542      4.894465      1.834195
  C      -6.495671      5.735123      1.740603
  C      -6.646537      6.936807      2.414394
  C      -7.811891      7.704485      2.195329
  N      -8.805441      7.379155      1.384358
  C      -8.666616      6.206524      0.697927
  C      -9.683842      5.802500     -0.202621
  C      -9.536959      4.628535     -0.909499
  C      -8.367464      3.858694     -0.720853
  N      -7.395513      4.196740      0.112819
  C      -7.533575      5.344249      0.826128
  C      -6.492506      2.010058      6.257818
  C      -7.107218      3.263551      6.903467
  C      -8.441205      3.637761      6.290086
  O      -8.171074      4.307021      5.029600
  C      -9.220241      4.341697      4.155236
  C     -10.040361      5.447504      4.070942
  C     -11.091228      5.459620      3.125816
  N     -11.361673      4.469014      2.291493
  C     -10.550526      3.372801      2.351500
  C     -10.780329      2.292666      1.465110
  C      -9.953063      1.192644      1.516303
  C      -8.896789      1.172936      2.457503
  N      -8.645557      2.152042      3.312179
  C      -9.454404      3.245665      3.266991
  H      -3.166373     -1.909241      4.743503
  H      -4.038542     -0.774086      3.711626
  H      -1.017338     -1.217621      3.434104
  H      -2.181895     -2.279325      2.635714
  H      -1.264880     -0.430251      1.177429
  H      -2.108215      0.763170      2.220332
  H      -2.299797     -2.289000     -0.586462
  H      -2.240015     -1.962296     -3.069889
  H      -4.016686      2.189180     -3.958776
  H      -4.948502      4.041767     -2.524788
  H      -5.143304      3.655410     -0.015128
  H      -2.991256      5.779558      4.945983
  H      -4.002406      5.101067      6.224995
  H      -5.536129      5.685518      4.575559
  H      -5.383029      3.959196      4.316891
  H      -3.617605      4.428098      2.531998
  H      -4.005064      6.163595      2.673944
  H      -5.893825      7.304177      3.109585
  H      -7.920142      8.649841      2.737276
  H     -10.563182      6.438800     -0.308743
  H     -10.306089      4.289809     -1.604901
  H      -8.225344      2.930521     -1.284622
  H      -7.026756      1.119940      6.647406
  H      -6.665664      2.044232      5.174500
  H      -6.421891      4.119107      6.787729
  H      -7.251073      3.113521      7.984944
  H      -9.003300      4.329430      6.940017
  H      -9.065342      2.747146      6.106213
  H      -9.872879      6.305823      4.722407
  H     -11.736674      6.340764      3.059687
  H     -11.609623      2.368627      0.759794
  H     -10.097563      0.344555      0.845474
  H      -8.225928      0.309588      2.508086
  N      -4.582715      1.777960      3.572584
  N      -5.151753      1.791676      2.563027
  H      -4.481112      1.642440      0.876664
101
Coordinates from ORCA-job orca E -6484.147201542569
  N      -2.646907      0.110836      5.020781
  Mo     -3.599856      1.839683      5.216835
  N      -5.057608      1.882810      6.508285
  C      -4.696825      1.896171      7.934968
  C      -3.313593      1.293131      8.136441
  N      -2.376388      1.795232      7.094030
  C      -1.242852      0.861225      6.859566
  C      -1.729582     -0.335735      6.067279
  C      -1.886574      3.175338      7.362511
  C      -1.620092      3.838191      6.010550
  N      -2.812287      3.694766      5.167467
  H      -0.856784     -0.865246      5.642579
  H      -2.234069     -1.069746      6.728388
  H      -0.490270      1.411038      6.279123
  H      -0.781048      0.554963      7.814732
  H      -1.355544      4.899511      6.152619
  H      -0.755686      3.362619      5.519012
  H      -2.682105      3.722036      7.887768
  H      -0.997459      3.154353      8.017208
  H      -5.423409      1.304738      8.522432
  H      -4.737381      2.924100      8.341414
  H      -3.379641      0.203840      8.011804
  H      -2.921777      1.500443      9.147255
  C      -3.048196     -0.988541      4.142136
  C      -2.029201     -1.270571      3.027450
  C      -2.072785     -0.291590      1.878509
  O      -3.321921     -0.485885      1.121456
  C      -3.197038     -0.387178     -0.226088
  C      -2.610166     -1.347564     -1.029197
  C      -2.569407     -1.147044     -2.430095
  N      -3.035611     -0.076860     -3.056731
  C      -3.604433      0.891429     -2.288393
  C      -4.081552      2.087281     -2.878301
  C      -4.623134      3.086973     -2.089691
  C      -4.724730      2.905836     -0.704042
  N      -4.296662      1.765973     -0.153774
  C      -3.719775      0.761410     -0.874660
  C      -3.648899      4.903268      5.188078
  C      -4.853487      4.890057      4.243891
  C      -4.424605      5.114930      2.801492
  O      -5.470254      4.866251      1.831477
  C      -6.513498      5.715743      1.730776
  C      -6.654094      6.922149      2.398455
  C      -7.810432      7.701126      2.171640
  N      -8.804619      7.382534      1.358930
  C      -8.676112      6.205019      0.678785
  C      -9.694791      5.807850     -0.223198
  C      -9.557545      4.629966     -0.925404
  C      -8.396445      3.848984     -0.730548
  N      -7.424156      4.179722      0.105661
  C      -7.552884      5.331071      0.814720
  C      -6.492683      2.002136      6.265995
  C      -7.108759      3.252132      6.916272
  C      -8.442633      3.628055      6.303252
  O      -8.169693      4.308577      5.049460
  C      -9.216975      4.359878      4.173807
  C     -10.009771      5.484900      4.082872
  C     -11.059309      5.518169      3.136888
  N     -11.353156      4.530109      2.307605
  C     -10.568826      3.414818      2.373774
  C     -10.824638      2.336626      1.492200
  C     -10.024356      1.217166      1.548291
  C      -8.968841      1.176155      2.489571
  N      -8.693782      2.152624      3.340172
  C      -9.476588      3.265142      3.290695
  H      -3.170431     -1.910818      4.741289
  H      -4.030527     -0.776341      3.698298
  H      -1.009693     -1.244865      3.448023
  H      -2.179322     -2.289734      2.636889
  H      -1.226473     -0.443986      1.192943
  H      -2.066275      0.753807      2.233410
  H      -2.189768     -2.249592     -0.583021
  H      -2.119462     -1.916519     -3.064246
  H      -3.996014      2.192353     -3.960946
  H      -4.974300      4.018811     -2.530572
  H      -5.182338      3.622934     -0.021648
  H      -3.009808      5.772098      4.930796
  H      -4.013638      5.095930      6.216957
  H      -5.554833      5.671268      4.566724
  H      -5.400167      3.943686      4.322087
  H      -3.645092      4.391833      2.529190
  H      -4.019261      6.131200      2.659157
  H      -5.899909      7.284768      3.094552
  H      -7.910303      8.650346      2.708491
  H     -10.567249      6.452628     -0.334684
  H     -10.327604      4.297523     -1.622852
  H      -8.261268      2.918033     -1.291437
  H      -7.025338      1.109700      6.652356
  H      -6.667249      2.040131      5.183133
  H      -6.424911      4.109277      6.803272
  H      -7.251630      3.098301      7.997318
  H      -9.007013      4.314108      6.957166
  H      -9.065338      2.738339      6.110883
  H      -9.821929      6.341422      4.731171
  H     -11.682808      6.414516      3.065381
  H     -11.651909      2.429495      0.786512
  H     -10.188992      0.369975      0.881022
  H      -8.319229      0.296990      2.544282
  N      -4.598959      1.760876      3.577148
  N      -5.166656      1.768384      2.566761
  H      -4.476144      1.617088      0.871321
101
Coordinates from ORCA-job orca E -6484.147434336759
  N      -2.649682      0.107608      5.013870
  Mo     -3.606667      1.834707      5.213370
  N      -5.058750      1.879253      6.510129
  C      -4.693965      1.892187      7.935595
  C      -3.310474      1.288133      8.131476
  N      -2.376913      1.789459      7.085581
  C      -1.242549      0.857090      6.849485
  C      -1.731308     -0.339721      6.059189
  C      -1.889130      3.171523      7.351761
  C      -1.628194      3.835204      5.998642
  N      -2.821931      3.689149      5.158099
  H      -0.860800     -0.872339      5.634057
  H      -2.236308     -1.071624      6.722380
  H      -0.492936      1.407935      6.266138
  H      -0.777612      0.552463      7.803583
  H      -1.364906      4.897024      6.139287
  H      -0.764440      3.360650      5.504863
  H      -2.684076      3.716206      7.879919
  H      -0.997594      3.152905      8.003211
  H      -5.418358      1.299652      8.524682
  H      -4.734194      2.919639      8.343099
  H      -3.378661      0.199015      8.006448
  H      -2.914121      1.494412      9.140692
  C      -3.047204     -0.992122      4.134377
  C      -2.017427     -1.282852      3.032190
  C      -2.036045     -0.298897      1.887915
  O      -3.278194     -0.474547      1.115336
  C      -3.138753     -0.378298     -0.230177
  C      -2.516816     -1.320160     -1.028596
  C      -2.470686     -1.115344     -2.429045
  N      -2.961993     -0.058295     -3.058421
  C      -3.562823      0.893898     -2.293820
  C      -4.063044      2.079940     -2.883118
  C      -4.631190      3.065283     -2.094201
  C      -4.737073      2.878948     -0.709838
  N      -4.288341      1.746349     -0.160250
  C      -3.685920      0.757371     -0.881578
  C      -3.661784      4.895843      5.176988
  C      -4.869397      4.875749      4.236439
  C      -4.444918      5.087855      2.791128
  O      -5.496095      4.840015      1.826952
  C      -6.529691      5.700288      1.718884
  C      -6.655768      6.913059      2.377975
  C      -7.801402      7.705519      2.143787
  N      -8.798778      7.393917      1.332442
  C      -8.685006      6.209745      0.661202
  C      -9.708379      5.819460     -0.238464
  C      -9.585017      4.636149     -0.934024
  C      -8.433123      3.842641     -0.734971
  N      -7.457788      4.165812      0.100668
  C      -7.573174      5.322278      0.803967
  C      -6.494624      1.998157      6.270975
  C      -7.111451      3.243559      6.928644
  C      -8.446163      3.620672      6.318224
  O      -8.172915      4.314282      5.071911
  C      -9.219035      4.378181      4.196256
  C      -9.989300      5.518191      4.099056
  C     -11.037690      5.567633      3.152569
  N     -11.350684      4.581177      2.328423
  C     -10.588463      3.450924      2.400795
  C     -10.865807      2.373541      1.524798
  C     -10.088211      1.238594      1.586743
  C      -9.033642      1.181360      2.528188
  N      -8.738478      2.156535      3.373729
  C      -9.499673      3.283965      3.318995
  H      -3.179678     -1.912357      4.734810
  H      -4.023390     -0.777117      3.678964
  H      -1.002647     -1.270411      3.464984
  H      -2.173331     -2.299503      2.637467
  H      -1.183096     -0.455098      1.211573
  H      -2.025209      0.745047      2.247519
  H      -2.073904     -2.210961     -0.581693
  H      -1.994352     -1.870975     -3.060649
  H      -3.973103      2.191953     -3.964711
  H      -4.997054      3.990601     -2.536887
  H      -5.212728      3.585439     -0.028410
  H      -3.024905      5.764588      4.913718
  H      -4.023483      5.092216      6.206144
  H      -5.570551      5.658777      4.555144
  H      -5.415215      3.929722      4.324244
  H      -3.671930      4.356570      2.522274
  H      -4.031572      6.099739      2.640597
  H      -5.897859      7.270733      3.072591
  H      -7.889476      8.659921      2.673544
  H     -10.572889      6.474090     -0.354307
  H     -10.358393      4.310201     -1.630906
  H      -8.307799      2.908007     -1.292032
  H      -7.025984      1.103027      6.652787
  H      -6.671114      2.041876      5.188731
  H      -6.429681      4.102794      6.818676
  H      -7.251841      3.084466      8.009228
  H      -9.013029      4.299522      6.977503
  H      -9.066347      2.731297      6.116950
  H      -9.784863      6.373225      4.744271
  H     -11.643361      6.475679      3.076120
  H     -11.691415      2.479143      0.818966
  H     -10.269794      0.391344      0.924003
  H      -8.402673      0.289198      2.588367
  N      -4.614578      1.746006      3.578492
  N      -5.180160      1.748477      2.567053
  H      -4.473083      1.592947      0.860624
101
Coordinates from ORCA-job orca E -6484.147639492123
  N      -2.646125      0.110592      5.006344
  Mo     -3.611831      1.833363      5.213746
  N      -5.056621      1.873681      6.517533
  C      -4.686747      1.885255      7.941477
  C      -3.301591      1.282157      8.129433
  N      -2.373490      1.786287      7.079964
  C      -1.236331      0.858926      6.839757
  C      -1.724771     -0.337148      6.049061
  C      -1.890498      3.170728      7.345962
  C      -1.636586      3.837452      5.993169
  N      -2.831583      3.688167      5.154896
  H      -0.855627     -0.870204      5.622179
  H      -2.228481     -1.069272      6.713140
  H      -0.491311      1.413894      6.254343
  H      -0.767220      0.555072      7.791948
  H      -1.376786      4.900056      6.134182
  H      -0.772509      3.366451      5.496434
  H      -2.685841      3.711109      7.877821
  H      -0.996473      3.155098      7.994050
  H      -5.407486      1.289614      8.531933
  H      -4.728053      2.911657      8.351361
  H      -3.370413      0.193337      8.001990
  H      -2.899829      1.486160      9.136937
  C      -3.043404     -0.991233      4.129378
  C      -2.008973     -1.292987      3.034628
  C      -2.007927     -0.306075      1.893641
  O      -3.247200     -0.462084      1.112676
  C      -3.101257     -0.366459     -0.231366
  C      -2.455790     -1.292627     -1.029325
  C      -2.410039     -1.082104     -2.429162
  N      -2.921422     -0.034477     -3.057763
  C      -3.543698      0.904057     -2.292984
  C      -4.062192      2.083517     -2.878647
  C      -4.648774      3.055935     -2.086526
  C      -4.756065      2.862430     -0.703551
  N      -4.289227      1.735541     -0.156868
  C      -3.669039      0.760346     -0.881839
  C      -3.674613      4.892942      5.173999
  C      -4.885086      4.867095      4.237887
  C      -4.463687      5.065111      2.789911
  O      -5.517974      4.815020      1.830270
  C      -6.543525      5.683135      1.711772
  C      -6.661064      6.900755      2.363561
  C      -7.796643      7.704061      2.117951
  N      -8.792223      7.398341      1.302343
  C      -8.687088      6.208922      0.638880
  C      -9.709862      5.824804     -0.263994
  C      -9.594908      4.637304     -0.953604
  C      -8.452136      3.833169     -0.745094
  N      -7.478416      4.149250      0.095130
  C      -7.585774      5.310071      0.792966
  C      -6.493491      1.989100      6.280483
  C      -7.113766      3.231449      6.939820
  C      -8.447597      3.607886      6.326366
  O      -8.169966      4.309744      5.085570
  C      -9.211729      4.387079      4.206109
  C      -9.951710      5.545837      4.095343
  C     -10.995439      5.614187      3.145038
  N     -11.330847      4.628951      2.328464
  C     -10.598035      3.480190      2.413392
  C     -10.899924      2.403654      1.544505
  C     -10.152274      1.249527      1.617988
  C      -9.103413      1.172067      2.564272
  N      -8.785697      2.145738      3.403560
  C      -9.517408      3.292231      3.337545
  H      -3.183532     -1.908287      4.733221
  H      -4.015448     -0.774115      3.666666
  H      -0.996823     -1.294174      3.473910
  H      -2.173937     -2.307393      2.637940
  H      -1.152347     -0.467791      1.222069
  H      -1.989668      0.736593      2.256767
  H      -1.994129     -2.175248     -0.585286
  H      -1.916002     -1.826050     -3.061118
  H      -3.971713      2.203348     -3.959354
  H      -5.026033      3.976776     -2.528895
  H      -5.244732      3.559623     -0.021453
  H      -3.040131      5.761919      4.905546
  H      -4.032527      5.091531      6.203959
  H      -5.585055      5.652906      4.552277
  H      -5.431354      3.922477      4.335833
  H      -3.695581      4.326591      2.526951
  H      -4.044032      6.072993      2.630190
  H      -5.903500      7.254219      3.060695
  H      -7.877632      8.662518      2.641553
  H     -10.567052      6.487612     -0.387466
  H     -10.367640      4.316890     -1.653782
  H      -8.332819      2.895446     -1.298191
  H      -7.022230      1.091594      6.660235
  H      -6.670935      2.034531      5.198586
  H      -6.434020      4.092604      6.831783
  H      -7.254624      3.070792      8.020066
  H      -9.018246      4.282548      6.986684
  H      -9.065291      2.718653      6.117818
  H      -9.727167      6.400300      4.734595
  H     -11.577271      6.536774      3.058633
  H     -11.720101      2.525258      0.834906
  H     -10.353083      0.402184      0.960964
  H      -8.497094      0.263689      2.634334
  N      -4.630494      1.735172      3.585901
  N      -5.194184      1.729378      2.573278
  H      -4.464090      1.571404      0.864166
101
Coordinates from ORCA-job orca E -6484.147785838034
  N      -2.646338      0.113754      4.996568
  Mo     -3.617783      1.834088      5.211976
  N      -5.056938      1.870899      6.521173
  C      -4.683661      1.879256      7.943853
  C      -3.298235      1.274864      8.125091
  N      -2.373589      1.781182      7.073866
  C      -1.234876      0.857189      6.830195
  C      -1.723601     -0.336563      6.037177
  C      -1.893793      3.167280      7.341279
  C      -1.644384      3.838247      5.989410
  N      -2.839912      3.687884      5.151906
  H      -0.855918     -0.870386      5.608754
  H      -2.227467     -1.069164      6.700775
  H      -0.492799      1.415598      6.244204
  H      -0.763283      0.552588      7.780809
  H      -1.386782      4.901133      6.132180
  H      -0.779963      3.370294      5.490241
  H      -2.689378      3.703803      7.876568
  H      -0.997952      3.152928      7.986868
  H      -5.402292      1.281117      8.534381
  H      -4.724927      2.904322      8.356948
  H      -3.369006      0.186536      7.994357
  H      -2.892285      1.475238      9.131617
  C      -3.042806     -0.989071      4.120614
  C      -2.000669     -1.302298      3.036481
  C      -1.976911     -0.312145      1.899435
  O      -3.210637     -0.450781      1.107230
  C      -3.057501     -0.356099     -0.235083
  C      -2.390373     -1.267223     -1.032355
  C      -2.345532     -1.051729     -2.431745
  N      -2.876276     -0.013783     -3.059969
  C      -3.518728      0.911383     -2.295126
  C      -4.056195      2.083500     -2.877556
  C      -4.660162      3.043265     -2.082413
  C      -4.766361      2.843913     -0.700405
  N      -4.281156      1.723409     -0.156426
  C      -3.644835      0.761515     -0.884993
  C      -3.684582      4.891846      5.169215
  C      -4.897478      4.861289      4.236466
  C      -4.480335      5.043756      2.785526
  O      -5.539872      4.791240      1.832652
  C      -6.556045      5.668675      1.703899
  C      -6.661119      6.892531      2.346182
  C      -7.785281      7.708342      2.089984
  N      -8.781612      7.408579      1.273270
  C      -8.689344      6.212371      0.620061
  C      -9.714587      5.834494     -0.282508
  C      -9.612030      4.641564     -0.964434
  C      -8.479228      3.825520     -0.748267
  N      -7.504547      4.134266      0.093575
  C      -7.599936      5.300649      0.784350
  C      -6.494563      1.984237      6.286545
  C      -7.117491      3.222503      6.950339
  C      -8.450726      3.598722      6.335195
  O      -8.170462      4.310966      5.100951
  C      -9.208422      4.397401      4.218519
  C      -9.922161      5.571081      4.092853
  C     -10.961929      5.652444      3.139379
  N     -11.316647      4.666235      2.332235
  C     -10.608747      3.502941      2.430899
  C     -10.931446      2.424943      1.571361
  C     -10.209368      1.255600      1.658202
  C      -9.165503      1.164262      2.608718
  N      -8.828589      2.138748      3.439691
  C      -9.535295      3.300261      3.360567
  H      -3.193557     -1.902955      4.726976
  H      -4.008957     -0.768373      3.647835
  H      -0.992662     -1.317629      3.485151
  H      -2.173635     -2.314113      2.636743
  H      -1.116782     -0.478636      1.234986
  H      -1.953368      0.729132      2.266394
  H      -1.910984     -2.141626     -0.590977
  H      -1.834851     -1.784352     -3.063780
  H      -3.966620      2.210269     -3.957547
  H      -5.049936      3.958967     -2.524538
  H      -5.266424      3.532333     -0.017473
  H      -3.050916      5.760054      4.896214
  H      -4.040149      5.093620      6.199300
  H      -5.595270      5.650885      4.546171
  H      -5.445343      3.918658      4.345037
  H      -3.717955      4.297457      2.528046
  H      -4.054006      6.047051      2.614979
  H      -5.901650      7.241702      3.043384
  H      -7.855967      8.671966      2.605599
  H     -10.563433      6.506710     -0.412574
  H     -10.386383      4.326833     -1.665416
  H      -8.368771      2.883863     -1.296452
  H      -7.020992      1.083922      6.662744
  H      -6.673308      2.033448      5.205149
  H      -6.439736      4.085684      6.845478
  H      -7.258346      3.058397      8.030022
  H      -9.025451      4.267685      6.997761
  H      -9.064963      2.709357      6.118178
  H      -9.680240      6.426306      4.724641
  H     -11.523610      6.586343      3.042264
  H     -11.746932      2.557609      0.858384
  H     -10.426498      0.406517      1.008688
  H      -8.580540      0.242941      2.690052
  N      -4.645715      1.727647      3.590085
  N      -5.206386      1.713924      2.575625
  H      -4.455032      1.554089      0.863924
101
Coordinates from ORCA-job orca E -6484.147912881467
  N      -2.640850      0.120920      4.985050
  Mo     -3.622968      1.836603      5.211104
  N      -5.057277      1.863774      6.525198
  C      -4.681504      1.867126      7.946875
  C      -3.294461      1.264516      8.121341
  N      -2.374031      1.777733      7.070030
  C      -1.231350      0.860860      6.821867
  C      -1.716598     -0.330687      6.024106
  C      -1.901359      3.166079      7.341854
  C      -1.656182      3.843613      5.992699
  N      -2.850663      3.691064      5.153867
  H      -0.848241     -0.862198      5.594638
  H      -2.219569     -1.066153      6.685440
  H      -0.493417      1.425711      6.236648
  H      -0.756962      0.555235      7.770645
  H      -1.403398      4.907108      6.139411
  H      -0.789464      3.381580      5.491826
  H      -2.699264      3.695945      7.880194
  H      -1.004604      3.154118      7.986231
  H      -5.397230      1.263990      8.535892
  H      -4.725018      2.890015      8.365076
  H      -3.364203      0.176744      7.985185
  H      -2.885588      1.460440      9.127566
  C      -3.036744     -0.984639      4.112359
  C      -1.988607     -1.308862      3.037094
  C      -1.947584     -0.317282      1.902355
  O      -3.178155     -0.440385      1.103414
  C      -3.023379     -0.345112     -0.237624
  C      -2.341888     -1.242700     -1.037884
  C      -2.303899     -1.021972     -2.436967
  N      -2.853852      0.007621     -3.062088
  C      -3.509968      0.920470     -2.293734
  C      -4.068143      2.085446     -2.870788
  C      -4.684328      3.033160     -2.070195
  C      -4.781834      2.828891     -0.688506
  N      -4.276781      1.714920     -0.149537
  C      -3.629771      0.764947     -0.884118
  C      -3.697640      4.893510      5.168835
  C      -4.911893      4.857719      4.238358
  C      -4.497225      5.024601      2.785034
  O      -5.560373      4.768635      1.837629
  C      -6.565797      5.655752      1.694464
  C      -6.658879      6.886969      2.324489
  C      -7.770126      7.715344      2.053320
  N      -8.765415      7.420271      1.233733
  C      -8.685377      6.216000      0.593693
  C      -9.711203      5.843178     -0.310080
  C      -9.620375      4.643637     -0.981746
  C      -8.498623      3.815782     -0.753692
  N      -7.524825      4.118080      0.091498
  C      -7.609051      5.291318      0.772637
  C      -6.495638      1.973659      6.292563
  C      -7.122883      3.205880      6.962998
  C      -8.454795      3.582373      6.345038
  O      -8.169205      4.308135      5.119732
  C      -9.199489      4.404701      4.230193
  C      -9.882957      5.594224      4.085119
  C     -10.914858      5.689740      3.124640
  N     -11.288603      4.703029      2.326740
  C     -10.608936      3.524532      2.442954
  C     -10.951578      2.445514      1.592426
  C     -10.258844      1.260011      1.697032
  C      -9.224458      1.153507      2.656320
  N      -8.869156      2.128462      3.479097
  C      -9.547117      3.305859      3.382595
  H      -3.196217     -1.894895      4.722175
  H      -3.998086     -0.761946      3.631165
  H      -0.983775     -1.335048      3.492453
  H      -2.168388     -2.318942      2.636100
  H      -1.085274     -0.488611      1.242055
  H      -1.918597      0.722757      2.272287
  H      -1.845687     -2.110394     -0.602040
  H      -1.781877     -1.744425     -3.071496
  H      -3.985292      2.218342     -3.950583
  H      -5.089391      3.943275     -2.509868
  H      -5.288114      3.509441     -0.002365
  H      -3.065286      5.761645      4.892469
  H      -4.052214      5.097590      6.198783
  H      -5.607922      5.650985      4.542641
  H      -5.461499      3.917022      4.357007
  H      -3.739489      4.271465      2.533970
  H      -4.065499      6.023629      2.603477
  H      -5.898850      7.232685      3.022764
  H      -7.830913      8.685092      2.558652
  H     -10.550883      6.524891     -0.449909
  H     -10.394936      4.333421     -1.684496
  H      -8.396390      2.869235     -1.294919
  H      -7.018776      1.069174      6.663254
  H      -6.675313      2.028480      5.211727
  H      -6.447419      4.071644      6.864106
  H      -7.265081      3.035882      8.041536
  H      -9.035258      4.243786      7.010124
  H      -9.064196      2.693013      6.116040
  H      -9.623406      6.450024      4.708959
  H     -11.453428      6.635617      3.013864
  H     -11.758920      2.590333      0.872603
  H     -10.491965      0.409338      1.055198
  H      -8.664311      0.218349      2.752611
  N      -4.659638      1.722529      3.595024
  N      -5.217656      1.696815      2.579366
  H      -4.441628      1.535832      0.867484
101
Coordinates from ORCA-job orca E -6484.148004876132
  N      -2.638208      0.132010      4.970736
  Mo     -3.628609      1.844318      5.209943
  N      -5.058611      1.859791      6.528458
  C      -4.680988      1.855436      7.949119
  C      -3.293082      1.253119      8.116312
  N      -2.375896      1.774117      7.066442
  C      -1.230048      0.863689      6.812418
  C      -1.712262     -0.323299      6.007038
  C      -1.908903      3.163704      7.345344
  C      -1.666621      3.850413      6.000178
  N      -2.860006      3.698343      5.159480
  H      -0.843362     -0.851399      5.574914
  H      -2.214237     -1.063165      6.664407
  H      -0.495193      1.435394      6.229847
  H      -0.753748      0.554431      7.758945
  H      -1.417914      4.913940      6.153255
  H      -0.797770      3.394811      5.496961
  H      -2.708699      3.686683      7.887457
  H      -1.011441      3.151913      7.988747
  H      -5.394565      1.247020      8.535324
  H      -4.725981      2.875448      8.374111
  H      -3.362588      0.166248      7.972822
  H      -2.881673      1.442450      9.122767
  C      -3.035111     -0.975643      4.100978
  C      -1.981238     -1.314238      3.035486
  C      -1.920616     -0.323081      1.901805
  O      -3.148238     -0.432772      1.097535
  C      -2.995026     -0.336973     -0.242517
  C      -2.305900     -1.224764     -1.046999
  C      -2.275654     -0.999236     -2.445751
  N      -2.839769      0.024927     -3.066865
  C      -3.503635      0.928503     -2.293901
  C      -4.077498      2.088709     -2.864949
  C      -4.701001      3.026764     -2.058424
  C      -4.789861      2.817499     -0.676937
  N      -4.268632      1.708724     -0.143205
  C      -3.615875      0.768250     -0.884628
  C      -3.706982      4.900834      5.172008
  C      -4.922234      4.861911      4.243381
  C      -4.510656      5.011485      2.787608
  O      -5.578588      4.750010      1.847473
  C      -6.574369      5.645416      1.690488
  C      -6.656578      6.883305      2.308973
  C      -7.755461      7.722962      2.023337
  N      -8.748994      7.432254      1.200211
  C      -8.680236      6.220695      0.572661
  C      -9.705945      5.852944     -0.333083
  C      -9.626319      4.647238     -0.994684
  C      -8.516012      3.807902     -0.753792
  N      -7.543566      4.103758      0.095259
  C      -7.616817      5.283840      0.766427
  C      -6.497671      1.966145      6.298115
  C      -7.128979      3.193067      6.973952
  C      -8.458608      3.570469      6.351320
  O      -8.167475      4.307296      5.133577
  C      -9.189617      4.408659      4.236017
  C      -9.843525      5.611656      4.066045
  C     -10.867383      5.715501      3.098160
  N     -11.259133      4.724936      2.313698
  C     -10.606264      3.533728      2.452073
  C     -10.966887      2.450410      1.614451
  C     -10.301502      1.251440      1.740926
  C      -9.276395      1.135787      2.709032
  N      -8.904770      2.114390      3.520236
  C      -9.556098      3.305018      3.402546
  H      -3.205875     -1.881269      4.714810
  H      -3.990581     -0.749265      3.610252
  H      -0.980167     -1.353176      3.498197
  H      -2.169830     -2.322349      2.633773
  H      -1.056508     -0.501826      1.245888
  H      -1.884535      0.716305      2.272744
  H      -1.796891     -2.088065     -0.617419
  H      -1.747035     -1.714114     -3.083437
  H      -4.001770      2.227184     -3.944559
  H      -5.117956      3.932936     -2.495012
  H      -5.299542      3.491869      0.012641
  H      -3.074250      5.767913      4.893228
  H      -4.061114      5.107363      6.201612
  H      -5.614785      5.660495      4.541797
  H      -5.475407      3.924538      4.372705
  H      -3.757240      4.251840      2.543463
  H      -4.074363      6.006077      2.593303
  H      -5.896485      7.225777      3.008729
  H      -7.807256      8.698224      2.518972
  H     -10.536422      6.543757     -0.482828
  H     -10.400634      4.341214     -1.699536
  H      -8.421963      2.856399     -1.287717
  H      -7.017293      1.057814      6.664221
  H      -6.678636      2.025657      5.217898
  H      -6.454851      4.060632      6.881405
  H      -7.274056      3.017834      8.051200
  H      -9.044302      4.226323      7.017220
  H      -9.063726      2.681362      6.111770
  H      -9.567085      6.470623      4.678060
  H     -11.383625      6.671464      2.969601
  H     -11.765855      2.603004      0.887011
  H     -10.548820      0.396992      1.109537
  H      -8.738769      0.189375      2.822865
  N      -4.674015      1.724543      3.599850
  N      -5.229657      1.685415      2.582890
  H      -4.429201      1.529090      0.876161
101
Coordinates from ORCA-job orca E -6484.142278669840
  N      -2.669872      0.087619      4.990274
  Mo     -3.641261      1.812120      5.213471
  N      -5.066518      1.865304      6.536553
  C      -4.686524      1.878560      7.956445
  C      -3.306131      1.260100      8.129688
  N      -2.384783      1.752255      7.069510
  C      -1.253155      0.822373      6.826237
  C      -1.751055     -0.367571      6.033726
  C      -1.894142      3.136243      7.328520
  C      -1.640098      3.795403      5.974014
  N      -2.837155      3.652506      5.136555
  H      -0.887307     -0.910161      5.609504
  H      -2.263211     -1.094861      6.697114
  H      -0.510690      1.376110      6.235748
  H      -0.780895      0.518719      7.776462
  H      -1.372268      4.856477      6.110452
  H      -0.779930      3.316096      5.477890
  H      -2.684385      3.682128      7.861964
  H      -0.996878      3.117804      7.971948
  H      -5.406305      1.288501      8.553564
  H      -4.717068      2.905738      8.365010
  H      -3.390538      0.172059      8.003430
  H      -2.889435      1.459533      9.132058
  C      -3.068588     -1.021655      4.122123
  C      -1.996690     -1.350844      3.070416
  C      -1.937321     -0.343138      1.950625
  O      -3.130010     -0.479555      1.096898
  C      -2.935716     -0.276987     -0.226159
  C      -2.046979     -0.954626     -1.040337
  C      -1.986177     -0.614856     -2.414292
  N      -2.705888      0.329972     -3.002205
  C      -3.580819      1.018924     -2.219055
  C      -4.352151      2.082308     -2.748905
  C      -5.213593      2.794070     -1.928433
  C      -5.349644      2.445063     -0.582025
  N      -4.628197      1.435493     -0.087669
  C      -3.735550      0.725460     -0.836353
  C      -3.653901      4.874188      5.132312
  C      -4.865761      4.860089      4.199867
  C      -4.451513      4.991672      2.740169
  O      -5.532368      4.760929      1.811922
  C      -6.495326      5.690120      1.663549
  C      -6.524120      6.936219      2.270198
  C      -7.598941      7.809306      1.995153
  N      -8.615470      7.543772      1.192071
  C      -8.598215      6.323710      0.577676
  C      -9.652775      5.979817     -0.302797
  C      -9.626910      4.763232     -0.947529
  C      -8.541308      3.889638     -0.715773
  N      -7.541929      4.160706      0.110375
  C      -7.564561      5.352780      0.764803
  C      -6.504193      1.982749      6.303316
  C      -7.127135      3.233901      6.943198
  C      -8.447554      3.609034      6.298611
  O      -8.138715      4.311683      5.065647
  C      -9.151569      4.391305      4.154944
  C      -9.800605      5.589645      3.939766
  C     -10.813332      5.664329      2.956772
  N     -11.196643      4.649891      2.198807
  C     -10.547998      3.462543      2.382679
  C     -10.897698      2.354361      1.573558
  C     -10.236228      1.159207      1.747588
  C      -9.226619      1.072770      2.734673
  N      -8.864359      2.076395      3.519548
  C      -9.511156      3.263068      3.353381
  H      -3.247179     -1.926875      4.734487
  H      -4.017318     -0.791950      3.620010
  H      -1.004218     -1.376879      3.550386
  H      -2.161675     -2.359394      2.658970
  H      -1.047532     -0.477464      1.319376
  H      -1.948027      0.687774      2.342581
  H      -1.397621     -1.731596     -0.635917
  H      -1.292402     -1.160274     -3.060801
  H      -4.243927      2.324931     -3.807077
  H      -5.791788      3.625785     -2.324090
  H      -6.049684      2.924012      0.105616
  H      -2.998680      5.722461      4.847744
  H      -4.004752      5.098352      6.159285
  H      -5.535600      5.679424      4.492772
  H      -5.447693      3.939431      4.334259
  H      -3.724355      4.209383      2.485500
  H      -3.989245      5.973302      2.539985
  H      -5.740297      7.260143      2.952161
  H      -7.609204      8.790705      2.481059
  H     -10.462807      6.695923     -0.445579
  H     -10.425606      4.472784     -1.631126
  H      -8.492609      2.927868     -1.236044
  H      -7.034039      1.088587      6.689077
  H      -6.680164      2.016455      5.221187
  H      -6.443686      4.092167      6.831953
  H      -7.281775      3.088090      8.023352
  H      -9.034628      4.286175      6.941808
  H      -9.058818      2.719674      6.075185
  H      -9.529522      6.467461      4.527121
  H     -11.325839      6.616572      2.791090
  H     -11.685715      2.484697      0.829816
  H     -10.476753      0.284868      1.141250
  H      -8.694756      0.128900      2.886899
  N      -4.696767      1.701596      3.607910
  N      -5.262892      1.667230      2.597864
  H      -4.484622      1.497032      0.937042
101
Coordinates from ORCA-job orca E -6484.150031330942
  N      -2.769048      0.026984      4.987409
  Mo     -3.707520      1.775100      5.186059
  N      -5.094801      1.893421      6.545128
  C      -4.677777      1.942311      7.953597
  C      -3.304944      1.300643      8.110388
  N      -2.398972      1.739963      7.013650
  C      -1.299475      0.775311      6.775403
  C      -1.843217     -0.423136      6.027130
  C      -1.863327      3.112668      7.222448
  C      -1.623633      3.719775      5.845963
  N      -2.848276      3.590966      5.047978
  H      -0.996728     -0.991494      5.602054
  H      -2.359128     -1.124404      6.714891
  H      -0.555340      1.290587      6.152691
  H      -0.815302      0.488048      7.724488
  H      -1.321800      4.775664      5.945135
  H      -0.790986      3.201401      5.342134
  H      -2.623863      3.698087      7.756983
  H      -0.951590      3.084549      7.844708
  H      -5.393001      1.385937      8.587111
  H      -4.676208      2.982041      8.330262
  H      -3.414492      0.211195      8.019720
  H      -2.859103      1.521005      9.095791
  C      -3.187514     -1.082862      4.132293
  C      -2.088277     -1.434531      3.113987
  C      -1.937612     -0.396183      2.029388
  O      -3.091976     -0.438511      1.120067
  C      -2.826353     -0.173296     -0.179415
  C      -1.874240     -0.799518     -0.965027
  C      -1.752682     -0.419109     -2.322099
  N      -2.483495      0.507912     -2.926112
  C      -3.425824      1.137774     -2.173739
  C      -4.241474      2.152881     -2.735771
  C      -5.196806      2.787452     -1.958407
  C      -5.367124      2.421952     -0.621909
  N      -4.596620      1.468738     -0.090949
  C      -3.629148      0.817998     -0.803039
  C      -3.607290      4.846064      5.042305
  C      -4.838086      4.871504      4.143227
  C      -4.455070      4.952266      2.670187
  O      -5.576787      4.753496      1.789823
  C      -6.489124      5.732660      1.665715
  C      -6.415266      6.991584      2.241634
  C      -7.453428      7.917268      2.005071
  N      -8.525645      7.690554      1.265530
  C      -8.609794      6.457215      0.684699
  C      -9.733091      6.153397     -0.120543
  C      -9.816780      4.920512     -0.725904
  C      -8.771683      3.991743     -0.529916
  N      -7.707044      4.221447      0.224861
  C      -7.623084      5.432612      0.840343
  C      -6.534322      2.028376      6.336303
  C      -7.134869      3.316490      6.923506
  C      -8.453277      3.675634      6.262817
  O      -8.142033      4.316047      4.996188
  C      -9.148354      4.337044      4.073637
  C      -9.806035      5.515454      3.784688
  C     -10.812279      5.523380      2.792028
  N     -11.179381      4.463608      2.089645
  C     -10.519178      3.296005      2.343002
  C     -10.845823      2.141901      1.590172
  C     -10.169563      0.966857      1.833046
  C      -9.169126      0.947039      2.832581
  N      -8.829531      1.996175      3.566546
  C      -9.489438      3.163146      3.331435
  H      -3.408460     -1.979992      4.742510
  H      -4.114813     -0.822490      3.605571
  H      -1.119739     -1.506344      3.633698
  H      -2.273659     -2.426151      2.671052
  H      -1.028019     -0.549900      1.432283
  H      -1.917577      0.616577      2.461137
  H      -1.222504     -1.568887     -0.550387
  H      -1.007433     -0.923282     -2.943870
  H      -4.102318      2.407466     -3.787356
  H      -5.828944      3.567164     -2.376691
  H      -6.139409      2.844712      0.026818
  H      -2.922272      5.658390      4.725772
  H      -3.919760      5.102297      6.074287
  H      -5.457979      5.729534      4.434862
  H      -5.461752      3.983730      4.311880
  H      -3.770766      4.134130      2.407751
  H      -3.958880      5.908657      2.433178
  H      -5.577943      7.285459      2.871217
  H      -7.382766      8.908138      2.465670
  H     -10.508629      6.911454     -0.235325
  H     -10.671581      4.656137     -1.349048
  H      -8.813671      3.014380     -1.019549
  H      -7.070010      1.159106      6.768022
  H      -6.725198      2.016706      5.256428
  H      -6.441537      4.159927      6.767373
  H      -7.285386      3.222544      8.009709
  H      -9.034701      4.388079      6.872042
  H      -9.071336      2.781323      6.082427
  H      -9.547336      6.428605      4.321820
  H     -11.332519      6.459425      2.568650
  H     -11.627630      2.222000      0.832774
  H     -10.392282      0.058083      1.272255
  H      -8.625213      0.019774      3.037250
  N      -4.812719      1.660061      3.612518
  N      -5.421428      1.604582      2.628443
  H      -4.786796      1.298907      0.926172
101
Coordinates from ORCA-job orca E -6484.142907703173
  N      -2.683723      0.039419      4.995968
  Mo     -3.645265      1.774967      5.180504
  N      -5.075687      1.855385      6.502400
  C      -4.699069      1.893194      7.919590
  C      -3.322861      1.277841      8.110674
  N      -2.396257      1.746852      7.048040
  C      -1.275219      0.796672      6.830638
  C      -1.778560     -0.405075      6.056337
  C      -1.896284      3.130985      7.280918
  C      -1.627862      3.759542      5.911428
  N      -2.827623      3.607159      5.077794
  H      -0.912174     -0.956509      5.649304
  H      -2.301619     -1.117963      6.725835
  H      -0.520421      1.325116      6.232758
  H      -0.813597      0.508198      7.790605
  H      -1.352890      4.820886      6.028705
  H      -0.768296      3.267028      5.426739
  H      -2.685929      3.693849      7.797591
  H      -1.002491      3.118137      7.929370
  H      -5.422153      1.318719      8.527485
  H      -4.724987      2.929251      8.305625
  H      -3.405049      0.187315      8.006389
  H      -2.913594      1.497556      9.111913
  C      -3.084668     -1.062781      4.123328
  C      -2.003739     -1.404350      3.085293
  C      -1.851699     -0.346365      2.018787
  O      -3.037001     -0.360818      1.150140
  C      -2.835292     -0.150929     -0.168929
  C      -1.980710     -0.892132     -0.968773
  C      -1.899115     -0.599384     -2.347927
  N      -2.582112      0.351070     -2.967414
  C      -3.425658      1.097170     -2.205248
  C      -4.176526      2.142109     -2.799001
  C      -5.028598      2.910756     -2.028567
  C      -5.152640      2.652801     -0.658793
  N      -4.446702      1.667457     -0.093572
  C      -3.584496      0.878012     -0.805931
  C      -3.626386      4.839371      5.050307
  C      -4.833697      4.814458      4.115058
  C      -4.437975      4.919112      2.650799
  O      -5.539448      4.657855      1.749048
  C      -6.523367      5.571279      1.615822
  C      -6.576988      6.806340      2.245222
  C      -7.672832      7.659726      1.996050
  N      -8.680239      7.394578      1.181514
  C      -8.640592      6.188965      0.542812
  C      -9.694985      5.844137     -0.337250
  C      -9.670842      4.627750     -0.980183
  C      -8.583319      3.760851     -0.750193
  N      -7.574657      4.036363      0.064508
  C      -7.594769      5.228575      0.719137
  C      -6.512804      1.981473      6.292231
  C      -7.100555      3.245516      6.941913
  C      -8.422808      3.656763      6.325400
  O      -8.153062      4.387431      5.099164
  C      -9.219716      4.478896      4.256585
  C      -9.897693      5.673127      4.116171
  C     -10.984667      5.749021      3.218145
  N     -11.399514      4.749137      2.456523
  C     -10.704229      3.578559      2.542973
  C     -11.053977      2.503202      1.690554
  C     -10.332027      1.330667      1.755757
  C      -9.265533      1.233261      2.680295
  N      -8.906824      2.206146      3.503347
  C      -9.605077      3.372441      3.438316
  H      -3.311582     -1.965198      4.722351
  H      -4.009103     -0.791425      3.597258
  H      -1.027985     -1.504603      3.586710
  H      -2.212303     -2.381207      2.621458
  H      -0.957682     -0.516471      1.403736
  H      -1.795655      0.662593      2.459487
  H      -1.376898     -1.695463     -0.547270
  H      -1.231803     -1.198904     -2.973786
  H      -4.065303      2.314257     -3.870422
  H      -5.610629      3.720238     -2.469871
  H      -5.834198      3.212044     -0.007064
  H      -2.961444      5.678377      4.762575
  H      -3.986843      5.078071      6.071511
  H      -5.500382      5.641766      4.394489
  H      -5.412917      3.896370      4.270358
  H      -3.702240      4.144063      2.401026
  H      -3.990892      5.901404      2.422865
  H      -5.798974      7.133055      2.931845
  H      -7.703118      8.629787      2.502954
  H     -10.513257      6.553513     -0.466485
  H     -10.479066      4.322500     -1.645174
  H      -8.542003      2.792531     -1.259711
  H      -7.043056      1.096441      6.697972
  H      -6.709765      2.006463      5.213951
  H      -6.399645      4.088417      6.824180
  H      -7.241336      3.096594      8.023352
  H      -8.979672      4.334618      6.993454
  H      -9.053326      2.781470      6.102748
  H      -9.591400      6.546182      4.694581
  H     -11.526797      6.694077      3.119120
  H     -11.880244      2.646121      0.991972
  H     -10.565273      0.484698      1.107926
  H      -8.673683      0.312076      2.735462
  N      -4.690979      1.624842      3.568696
  N      -5.256274      1.545375      2.555909
  H      -4.541150      1.246283      0.896168
101
Coordinates from ORCA-job orca E -6484.149312538686
  N      -2.653082      0.052706      4.963996
  Mo     -3.630124      1.784635      5.124634
  N      -5.055362      1.861710      6.451372
  C      -4.676429      1.907119      7.870293
  C      -3.294756      1.305928      8.063837
  N      -2.376677      1.780473      6.994797
  C      -1.249786      0.839623      6.788252
  C      -1.752458     -0.373588      6.034877
  C      -1.884874      3.167750      7.218456
  C      -1.625001      3.790353      5.849478
  N      -2.826014      3.628575      5.019892
  H      -0.885663     -0.933330      5.640715
  H      -2.277764     -1.074650      6.715134
  H      -0.497481      1.363873      6.183382
  H      -0.787706      0.565035      7.752195
  H      -1.359820      4.854579      5.963723
  H      -0.762730      3.303378      5.364272
  H      -2.677585      3.729662      7.731589
  H      -0.991344      3.164059      7.867533
  H      -5.395602      1.330370      8.480904
  H      -4.709367      2.944750      8.251679
  H      -3.367643      0.214145      7.964677
  H      -2.883888      1.534693      9.062491
  C      -3.058440     -1.077856      4.129935
  C      -1.979318     -1.494445      3.118879
  C      -1.780642     -0.494583      2.011975
  O      -2.953978     -0.487596      1.130158
  C      -2.693660     -0.326988     -0.184358
  C      -1.814053     -1.094208     -0.930984
  C      -1.673745     -0.831138     -2.311563
  N      -2.315921      0.117037     -2.975843
  C      -3.178882      0.889469     -2.263112
  C      -3.876972      1.943458     -2.899776
  C      -4.737826      2.742320     -2.171994
  C      -4.933127      2.501240     -0.807618
  N      -4.278901      1.505142     -0.200771
  C      -3.403018      0.693990     -0.869179
  C      -3.640057      4.852534      5.024505
  C      -4.879842      4.826833      4.135365
  C      -4.533426      4.973492      2.661709
  O      -5.648261      4.722627      1.774397
  C      -6.659778      5.610027      1.692564
  C      -6.755633      6.810610      2.380895
  C      -7.885601      7.632507      2.177311
  N      -8.881452      7.375809      1.344992
  C      -8.795439      6.207713      0.643508
  C      -9.829637      5.872803     -0.264517
  C      -9.764111      4.686105     -0.959254
  C      -8.655316      3.840093     -0.753240
  N      -7.660551      4.112862      0.079359
  C      -7.719776      5.275116      0.781889
  C      -6.494633      1.983094      6.241846
  C      -7.088824      3.225063      6.926309
  C      -8.433491      3.631002      6.357763
  O      -8.211924      4.418340      5.156683
  C      -9.309329      4.540796      4.355452
  C     -10.035215      5.714665      4.349183
  C     -11.174450      5.818556      3.520941
  N     -11.592679      4.870830      2.698250
  C     -10.845551      3.730737      2.639702
  C     -11.190654      2.728061      1.700886
  C     -10.409329      1.596614      1.606391
  C      -9.291227      1.463006      2.463827
  N      -8.940917      2.362504      3.369351
  C      -9.693019      3.493480      3.457824
  H      -3.299898     -1.952655      4.763214
  H      -3.978783     -0.815782      3.592631
  H      -1.010493     -1.600719      3.633200
  H      -2.216889     -2.483899      2.697571
  H      -0.886852     -0.722824      1.416062
  H      -1.694314      0.529049      2.413196
  H      -1.238526     -1.895724     -0.468471
  H      -0.989220     -1.450704     -2.898275
  H      -3.712165      2.103771     -3.966288
  H      -5.270558      3.566634     -2.643893
  H      -5.620879      3.097400     -0.193372
  H      -2.997186      5.705296      4.726654
  H      -3.968071      5.071843      6.060757
  H      -5.549436      5.636316      4.455847
  H      -5.439627      3.898865      4.291498
  H      -3.794854      4.216166      2.370971
  H      -4.107877      5.969096      2.449454
  H      -5.988452      7.132496      3.081895
  H      -7.950983      8.573423      2.733720
  H     -10.668658      6.561897     -0.370151
  H     -10.557554      4.385754     -1.644019
  H      -8.581144      2.895493     -1.302203
  H      -7.014301      1.088248      6.639928
  H      -6.700376      2.023095      5.165286
  H      -6.402888      4.081880      6.819373
  H      -7.206115      3.045558      8.005926
  H      -8.984961      4.269120      7.068499
  H      -9.056397      2.754005      6.119345
  H      -9.730752      6.549986      4.982239
  H     -11.758070      6.744113      3.534593
  H     -12.058811      2.897418      1.060750
  H     -10.634016      0.811169      0.883399
  H      -8.645226      0.580085      2.387313
  N      -4.683008      1.649181      3.514975
  N      -5.257784      1.586224      2.509159
  H      -4.551134      1.372249      0.805757
101
Coordinates from ORCA-job orca E -6484.153475293894
  N      -2.735035      0.005293      4.975813
  Mo     -3.676186      1.757136      5.144778
  N      -5.084346      1.877434      6.486935
  C      -4.685654      1.933700      7.900480
  C      -3.314856      1.300791      8.082688
  N      -2.397068      1.737993      6.997117
  C      -1.295540      0.768096      6.781659
  C      -1.829011     -0.436609      6.036153
  C      -1.865969      3.113245      7.200945
  C      -1.607297      3.712088      5.820924
  N      -2.823869      3.574955      5.009440
  H      -0.974946     -1.007795      5.630473
  H      -2.356753     -1.131297      6.720927
  H      -0.539378      1.272503      6.164807
  H      -0.826507      0.487779      7.740642
  H      -1.309971      4.769410      5.918135
  H      -0.766299      3.194645      5.330500
  H      -2.635814      3.702223      7.718452
  H      -0.963905      3.091716      7.837624
  H      -5.408598      1.381053      8.528420
  H      -4.690228      2.976381      8.268400
  H      -3.415117      0.210150      7.998993
  H      -2.886231      1.531605      9.073340
  C      -3.148269     -1.113517      4.129341
  C      -2.044949     -1.499049      3.127970
  C      -1.829915     -0.453445      2.062301
  O      -2.973155     -0.434494      1.140844
  C      -2.691510     -0.182729     -0.155277
  C      -1.699771     -0.790591     -0.908970
  C      -1.554378     -0.432871     -2.267922
  N      -2.297363      0.460966     -2.906223
  C      -3.280183      1.067479     -2.188002
  C      -4.107738      2.044825     -2.795468
  C      -5.103227      2.664757     -2.060520
  C      -5.302005      2.319259     -0.721086
  N      -4.521406      1.401632     -0.144115
  C      -3.513154      0.767040     -0.815746
  C      -3.595474      4.824280      4.993245
  C      -4.832634      4.835584      4.097621
  C      -4.480116      4.945402      2.618867
  O      -5.612426      4.731694      1.750542
  C      -6.554858      5.687187      1.652987
  C      -6.529368      6.928559      2.271065
  C      -7.599427      7.824187      2.061510
  N      -8.653231      7.593126      1.296882
  C      -8.687032      6.382460      0.666012
  C      -9.783678      6.076807     -0.175501
  C      -9.826605      4.858424     -0.815496
  C      -8.765092      3.948792     -0.619124
  N      -7.719260      4.186673      0.159791
  C      -7.672827      5.382901      0.806001
  C      -6.524712      2.019977      6.285698
  C      -7.109019      3.297438      6.914151
  C      -8.439455      3.685077      6.300274
  O      -8.172807      4.390435      5.058832
  C      -9.236476      4.453682      4.205895
  C      -9.938253      5.630695      4.041896
  C     -11.022721      5.669180      3.135882
  N     -11.418460      4.645914      2.395694
  C     -10.702283      3.489524      2.509087
  C     -11.035761      2.386708      1.685612
  C     -10.291346      1.231658      1.775185
  C      -9.219039      1.177671      2.696140
  N      -8.876445      2.174211      3.497726
  C      -9.597973      3.324500      3.407662
  H      -3.396879     -1.997577      4.747406
  H      -4.061312     -0.842362      3.583301
  H      -1.089153     -1.616854      3.664028
  H      -2.263583     -2.475275      2.667425
  H      -0.916536     -0.640385      1.481891
  H      -1.771874      0.551870      2.510176
  H      -1.037364     -1.535725     -0.468608
  H      -0.775709     -0.922611     -2.859906
  H      -3.937221      2.285819     -3.845637
  H      -5.744931      3.421754     -2.505154
  H      -6.098085      2.758993     -0.106802
  H      -2.919601      5.646500      4.684163
  H      -3.917888      5.072428      6.024699
  H      -5.464755      5.678021      4.406554
  H      -5.438097      3.933573      4.262820
  H      -3.779533      4.151009      2.330521
  H      -4.013416      5.917932      2.386032
  H      -5.708323      7.230562      2.917435
  H      -7.570013      8.796709      2.563898
  H     -10.576025      6.818761     -0.282684
  H     -10.665501      4.585163     -1.456411
  H      -8.777210      2.979645     -1.128164
  H      -7.056565      1.145210      6.711521
  H      -6.730151      2.027055      5.207882
  H      -6.411009      4.139686      6.774148
  H      -7.243830      3.171734      7.999054
  H      -9.004629      4.365778      6.959480
  H      -9.061204      2.798686      6.094074
  H      -9.653613      6.519153      4.606716
  H     -11.587237      6.599535      3.021536
  H     -11.869149      2.494459      0.989742
  H     -10.511350      0.365727      1.149289
  H      -8.610720      0.272065      2.767438
  N      -4.755525      1.634619      3.551748
  N      -5.350848      1.565605      2.559264
  H      -4.704801      1.255323      0.886581
101
Coordinates from ORCA-job orca E -6484.154019011959
  N      -2.711252      0.018112      4.991926
  Mo     -3.667363      1.758642      5.175288
  N      -5.082404      1.866237      6.511147
  C      -4.688916      1.925571      7.926833
  C      -3.312296      1.302833      8.112425
  N      -2.394213      1.749416      7.029642
  C      -1.285068      0.786068      6.808916
  C      -1.809143     -0.422053      6.057512
  C      -1.873144      3.127201      7.237802
  C      -1.613353      3.725440      5.858403
  N      -2.826970      3.582095      5.043518
  H      -0.949794     -0.988764      5.656727
  H      -2.338063     -1.119730      6.738207
  H      -0.532197      1.297092      6.193652
  H      -0.813648      0.504792      7.766588
  H      -1.320909      4.784314      5.954295
  H      -0.768870      3.210537      5.371687
  H      -2.648857      3.711825      7.751592
  H      -0.973754      3.111219      7.878468
  H      -5.410177      1.367767      8.552074
  H      -4.701827      2.968149      8.294854
  H      -3.403341      0.211567      8.026931
  H      -2.888303      1.536072      9.104514
  C      -3.140831     -1.096839      4.146525
  C      -2.069029     -1.492715      3.113536
  C      -1.835217     -0.440427      2.052439
  O      -3.005382     -0.340236      1.166248
  C      -2.769646     -0.113677     -0.144943
  C      -1.828595     -0.767594     -0.926356
  C      -1.736966     -0.457282     -2.300757
  N      -2.484911      0.435186     -2.934150
  C      -3.413184      1.094518     -2.191164
  C      -4.233693      2.079665     -2.796419
  C      -5.164200      2.770687     -2.040833
  C      -5.301260      2.491225     -0.677131
  N      -4.535718      1.555172     -0.107547
  C      -3.591688      0.846681     -0.799224
  C      -3.609048      4.824655      5.030625
  C      -4.843380      4.822144      4.131894
  C      -4.478112      4.934654      2.657058
  O      -5.603650      4.724571      1.777105
  C      -6.526044      5.697105      1.655409
  C      -6.465353      6.956991      2.232852
  C      -7.516911      7.870126      2.007150
  N      -8.591288      7.634624      1.272440
  C      -8.659041      6.406832      0.677850
  C      -9.770083      6.102448     -0.145577
  C      -9.835077      4.876311     -0.769620
  C      -8.784611      3.953883     -0.569083
  N      -7.729760      4.188996      0.198704
  C      -7.659389      5.394101      0.826402
  C      -6.521845      2.004338      6.294827
  C      -7.122462      3.283507      6.903664
  C      -8.445226      3.650574      6.260168
  O      -8.144861      4.338258      5.015468
  C      -9.175795      4.396048      4.121290
  C      -9.856217      5.576565      3.903516
  C     -10.895798      5.610355      2.945568
  N     -11.281188      4.573136      2.218966
  C     -10.599656      3.404476      2.403050
  C     -10.946494      2.271336      1.627151
  C     -10.243318      1.099792      1.796849
  C      -9.198231      1.059881      2.749027
  N      -8.844554      2.084752      3.509078
  C      -9.528804      3.249757      3.343523
  H      -3.389717     -1.979402      4.766219
  H      -4.060406     -0.815154      3.616714
  H      -1.106579     -1.653028      3.626098
  H      -2.332885     -2.451981      2.641351
  H      -0.948557     -0.666161      1.446396
  H      -1.711395      0.554164      2.511358
  H      -1.173550     -1.526114     -0.498637
  H      -1.002705     -0.990298     -2.911776
  H      -4.102051      2.274766     -3.861561
  H      -5.794308      3.541389     -2.482559
  H      -6.020603      3.016390     -0.035262
  H      -2.941029      5.652272      4.719430
  H      -3.933765      5.072007      6.061690
  H      -5.484529      5.659693      4.436797
  H      -5.442832      3.914519      4.291487
  H      -3.775051      4.139421      2.378242
  H      -4.007229      5.906172      2.428521
  H      -5.628343      7.262127      2.857293
  H      -7.460172      8.856476      2.479373
  H     -10.548235      6.857665     -0.263293
  H     -10.676929      4.611713     -1.410426
  H      -8.812260      2.979304     -1.067607
  H      -7.056067      1.129094      6.716563
  H      -6.712160      2.007757      5.213923
  H      -6.428274      4.128507      6.762084
  H      -7.271958      3.172134      7.988358
  H      -9.033273      4.333062      6.897033
  H      -9.051672      2.754784      6.049016
  H      -9.590256      6.470369      4.467633
  H     -11.439964      6.545932      2.784530
  H     -11.765543      2.364002      0.912675
  H     -10.480292      0.207580      1.215619
  H      -8.632782      0.135730      2.893194
  N      -4.739662      1.634930      3.580022
  N      -5.329038      1.557545      2.585980
  H      -4.641571      1.350743      0.919309
101
Coordinates from ORCA-job orca E -6484.155623681985
  N      -2.714621      0.001357      4.980697
  Mo     -3.671997      1.742284      5.161362
  N      -5.079601      1.856788      6.504904
  C      -4.679591      1.923353      7.917593
  C      -3.303650      1.300050      8.100460
  N      -2.390923      1.739424      7.011028
  C      -1.285084      0.771793      6.792674
  C      -1.814877     -0.438190      6.048469
  C      -1.867167      3.118189      7.208757
  C      -1.611718      3.709009      5.824575
  N      -2.829496      3.562430      5.015957
  H      -0.958157     -1.010887      5.650745
  H      -2.346771     -1.129439      6.733332
  H      -0.531853      1.276501      6.172728
  H      -0.812834      0.494199      7.750868
  H      -1.317381      4.768043      5.913047
  H      -0.770106      3.190030      5.337032
  H      -2.640945      3.706509      7.721262
  H      -0.965751      3.105142      7.846653
  H      -5.399090      1.370833      8.549501
  H      -4.688650      2.968502      8.278742
  H      -3.395973      0.208207      8.021830
  H      -2.874841      1.538941      9.089126
  C      -3.150276     -1.110140      4.134850
  C      -2.075225     -1.539522      3.119493
  C      -1.768400     -0.481343      2.084919
  O      -2.914518     -0.303914      1.183955
  C      -2.664283     -0.054074     -0.117908
  C      -1.679655     -0.646476     -0.895665
  C      -1.590781     -0.315835     -2.265169
  N      -2.382336      0.537215     -2.899787
  C      -3.354969      1.133417     -2.160264
  C      -4.230754      2.069058     -2.766005
  C      -5.210729      2.692677     -2.014765
  C      -5.339893      2.398060     -0.652529
  N      -4.520556      1.509182     -0.083159
  C      -3.530952      0.865121     -0.772381
  C      -3.611232      4.805499      4.994901
  C      -4.849725      4.787288      4.102731
  C      -4.494599      4.876498      2.625101
  O      -5.624780      4.647158      1.752930
  C      -6.559371      5.608316      1.622789
  C      -6.527680      6.862861      2.214852
  C      -7.586986      7.764405      1.978008
  N      -8.637299      7.527602      1.209212
  C      -8.675164      6.307177      0.597578
  C      -9.761061      6.001878     -0.258488
  C      -9.805764      4.777870     -0.887015
  C      -8.761421      3.857480     -0.656049
  N      -7.726226      4.095743      0.137489
  C      -7.672927      5.300611      0.767087
  C      -6.518976      1.999638      6.301726
  C      -7.099091      3.279889      6.926163
  C      -8.425979      3.670964      6.305110
  O      -8.145640      4.393597      5.074872
  C      -9.198661      4.480164      4.210134
  C      -9.888281      5.665981      4.061378
  C     -10.965167      5.730138      3.148320
  N     -11.371028      4.721367      2.393514
  C     -10.671944      3.553431      2.497177
  C     -11.028110      2.457657      1.672930
  C     -10.298476      1.291777      1.751326
  C      -9.219479      1.218808      2.663324
  N      -8.860675      2.205965      3.469322
  C      -9.568422      3.366432      3.392326
  H      -3.428294     -1.983321      4.755023
  H      -4.054151     -0.810538      3.588673
  H      -1.131715     -1.753230      3.647006
  H      -2.374663     -2.477675      2.626539
  H      -0.879995     -0.737698      1.495077
  H      -1.609345      0.497625      2.565497
  H      -0.989270     -1.375207     -0.472662
  H      -0.820381     -0.799975     -2.872288
  H      -4.102925      2.279274     -3.828741
  H      -5.887047      3.423143     -2.457895
  H      -6.095185      2.880834     -0.015270
  H      -2.945931      5.630918      4.671883
  H      -3.932349      5.062709      6.024716
  H      -5.492729      5.628251      4.397046
  H      -5.443341      3.881611      4.280625
  H      -3.788692      4.080475      2.355805
  H      -4.028731      5.845790      2.379341
  H      -5.709285      7.171253      2.862325
  H      -7.553527      8.745794      2.462619
  H     -10.540333      6.753274     -0.392144
  H     -10.630789      4.510445     -1.547773
  H      -8.776799      2.880645     -1.150423
  H      -7.053111      1.126777      6.728156
  H      -6.722554      2.006930      5.223698
  H      -6.397411      4.118649      6.785089
  H      -7.236000      3.158566      8.011605
  H      -8.999579      4.341647      6.966579
  H      -9.041939      2.785313      6.081175
  H      -9.603679      6.539498      4.648495
  H     -11.518264      6.668565      3.044713
  H     -11.871933      2.575250      0.991068
  H     -10.538865      0.429753      1.127502
  H      -8.625556      0.301060      2.729986
  N      -4.751572      1.606547      3.571371
  N      -5.345920      1.508112      2.580631
  H      -4.685594      1.293342      0.933636
101
Coordinates from ORCA-job orca E -6484.156102147431
  N      -2.741276     -0.009241      4.958855
  Mo     -3.681601      1.743757      5.134785
  N      -5.085753      1.871947      6.481458
  C      -4.683130      1.941161      7.892233
  C      -3.314374      1.304718      8.076224
  N      -2.398914      1.728404      6.983970
  C      -1.306360      0.745986      6.770914
  C      -1.850509     -0.458054      6.029525
  C      -1.858627      3.103063      7.172748
  C      -1.597160      3.687059      5.785031
  N      -2.818456      3.551281      4.979568
  H      -1.000251     -1.042549      5.635227
  H      -2.392805     -1.140075      6.715581
  H      -0.545132      1.237985      6.150603
  H      -0.839782      0.465400      7.730857
  H      -1.290311      4.742875      5.869405
  H      -0.762340      3.156728      5.297736
  H      -2.625965      3.702020      7.682558
  H      -0.957037      3.083054      7.810263
  H      -5.407100      1.399192      8.528226
  H      -4.680769      2.988415      8.247743
  H      -3.417827      0.213348      8.003170
  H      -2.882222      1.544074      9.063345
  C      -3.188625     -1.117854      4.116855
  C      -2.109517     -1.586163      3.125817
  C      -1.720329     -0.526607      2.124534
  O      -2.835824     -0.274663      1.210635
  C      -2.562829     -0.030982     -0.083104
  C      -1.523019     -0.570373     -0.827732
  C      -1.405548     -0.235511     -2.193218
  N      -2.216743      0.575431     -2.855710
  C      -3.246321      1.114579     -2.150337
  C      -4.146480      2.002866     -2.788772
  C      -5.187262      2.567271     -2.077063
  C      -5.359624      2.253316     -0.723731
  N      -4.514591      1.414104     -0.120542
  C      -3.459645      0.835022     -0.769416
  C      -3.582021      4.806091      4.944195
  C      -4.832988      4.794526      4.068234
  C      -4.516342      4.848242      2.580659
  O      -5.681660      4.631521      1.750195
  C      -6.602990      5.608914      1.638349
  C      -6.543677      6.858998      2.238055
  C      -7.594393      7.776889      2.026158
  N      -8.658633      7.562163      1.269859
  C      -8.724257      6.346726      0.651421
  C      -9.828989      6.063382     -0.187949
  C      -9.907397      4.842080     -0.817453
  C      -8.877950      3.902807     -0.603789
  N      -7.824581      4.120704      0.171479
  C      -7.736691      5.323041      0.801607
  C      -6.524831      2.019824      6.288670
  C      -7.089377      3.306594      6.913286
  C      -8.418139      3.708715      6.303035
  O      -8.155899      4.442058      5.074977
  C      -9.220058      4.509699      4.224132
  C      -9.928511      5.685786      4.085349
  C     -11.023996      5.731360      3.194617
  N     -11.426700      4.716478      2.446455
  C     -10.703262      3.562327      2.531550
  C     -11.048896      2.465611      1.704082
  C     -10.290816      1.315809      1.758550
  C      -9.194204      1.259590      2.651144
  N      -8.847835      2.247214      3.461531
  C      -9.582200      3.392264      3.407227
  H      -3.497657     -1.978500      4.740007
  H      -4.074191     -0.800973      3.551854
  H      -1.192456     -1.858016      3.672954
  H      -2.443553     -2.498736      2.607770
  H      -0.832987     -0.819223      1.551133
  H      -1.522905      0.433296      2.628149
  H      -0.804063     -1.256858     -0.383520
  H      -0.585913     -0.673275     -2.770390
  H      -3.987383      2.224872     -3.844980
  H      -5.883815      3.261760     -2.544102
  H      -6.171804      2.692375     -0.123048
  H      -2.907071      5.617821      4.606266
  H      -3.891603      5.080852      5.972951
  H      -5.454725      5.653604      4.357161
  H      -5.438966      3.905574      4.277446
  H      -3.837613      4.031991      2.301809
  H      -4.037053      5.802366      2.304478
  H      -5.711914      7.149971      2.876412
  H      -7.538850      8.754302      2.516623
  H     -10.598084      6.828027     -0.304528
  H     -10.749418      4.589342     -1.462084
  H      -8.921656      2.925483     -1.095399
  H      -7.058913      1.153455      6.728163
  H      -6.740600      2.019154      5.213239
  H      -6.381913      4.139361      6.766288
  H      -7.219092      3.186964      7.999770
  H      -8.982105      4.378755      6.972905
  H      -9.039672      2.827060      6.080395
  H      -9.646039      6.564851      4.666149
  H     -11.591960      6.661720      3.099416
  H     -11.905069      2.571352      1.035308
  H     -10.520155      0.455266      1.128545
  H      -8.570243      0.358559      2.692948
  N      -4.761034      1.605449      3.545148
  N      -5.354351      1.489823      2.553972
  H      -4.689846      1.268875      0.911291
101
Coordinates from ORCA-job orca E -6484.157149754288
  N      -2.745074     -0.000868      4.944474
  Mo     -3.699354      1.743646      5.147849
  N      -5.098525      1.849941      6.502002
  C      -4.689658      1.905307      7.912171
  C      -3.316534      1.273338      8.082544
  N      -2.408874      1.715863      6.991102
  C      -1.308825      0.746003      6.760148
  C      -1.845175     -0.453705      6.005984
  C      -1.879941      3.092847      7.192749
  C      -1.624881      3.691636      5.810934
  N      -2.844563      3.554103      5.003310
  H      -0.990847     -1.025171      5.601552
  H      -2.378370     -1.148871      6.686122
  H      -0.555109      1.252515      6.142202
  H      -0.834682      0.457450      7.714019
  H      -1.325710      4.748826      5.904492
  H      -0.786212      3.171642      5.319315
  H      -2.651803      3.680418      7.708850
  H      -0.977446      3.074127      7.829001
  H      -5.408562      1.353747      8.545626
  H      -4.689446      2.948538      8.279262
  H      -3.413856      0.182350      7.997098
  H      -2.881164      1.503888      9.070406
  C      -3.197677     -1.108509      4.103092
  C      -2.125297     -1.584128      3.107153
  C      -1.708347     -0.521588      2.117848
  O      -2.821643     -0.220294      1.216090
  C      -2.569744      0.035096     -0.078621
  C      -1.528702     -0.468553     -0.847329
  C      -1.447684     -0.123218     -2.212989
  N      -2.293531      0.667930     -2.856406
  C      -3.321711      1.176614     -2.126792
  C      -4.257340      2.045475     -2.742244
  C      -5.293111      2.587147     -2.005799
  C      -5.422866      2.270999     -0.647699
  N      -4.548912      1.444587     -0.069590
  C      -3.499814      0.885111     -0.743847
  C      -3.610306      4.806458      4.961248
  C      -4.855111      4.787613      4.077125
  C      -4.523138      4.822174      2.591983
  O      -5.681207      4.598377      1.754430
  C      -6.578400      5.590904      1.599421
  C      -6.490843      6.861718      2.150052
  C      -7.515872      7.797112      1.895834
  N      -8.582890      7.577906      1.145028
  C      -8.674545      6.341613      0.572477
  C      -9.779385      6.055996     -0.265618
  C      -9.878923      4.818197     -0.858969
  C      -8.871667      3.863465     -0.607488
  N      -7.821592      4.080470      0.172326
  C      -7.712158      5.300608      0.765008
  C      -6.538117      2.005122      6.313221
  C      -7.101402      3.289850      6.945072
  C      -8.422278      3.700434      6.323026
  O      -8.134314      4.441626      5.104962
  C      -9.173080      4.509866      4.223072
  C      -9.857027      5.694114      4.037492
  C     -10.922110      5.739422      3.110053
  N     -11.323659      4.713365      2.376214
  C     -10.628582      3.546817      2.515272
  C     -10.982536      2.429891      1.719042
  C     -10.256506      1.264388      1.833665
  C      -9.181292      1.214062      2.752061
  N      -8.826720      2.221630      3.533895
  C      -9.533284      3.379946      3.423740
  H      -3.507055     -1.967491      4.728737
  H      -4.084106     -0.791310      3.539881
  H      -1.216148     -1.889810      3.650105
  H      -2.483326     -2.478606      2.573966
  H      -0.832636     -0.833135      1.537820
  H      -1.479938      0.423794      2.634873
  H      -0.782542     -1.139677     -0.426211
  H      -0.627239     -0.535558     -2.807565
  H      -4.126185      2.273262     -3.801036
  H      -6.016014      3.266997     -2.454472
  H      -6.219076      2.703831     -0.024045
  H      -2.935264      5.617912      4.623321
  H      -3.926307      5.084893      5.987011
  H      -5.476164      5.651501      4.351429
  H      -5.467708      3.901745      4.290034
  H      -3.845390      3.999197      2.331875
  H      -4.037363      5.770197      2.305747
  H      -5.654173      7.157269      2.779586
  H      -7.438584      8.791045      2.348656
  H     -10.528731      6.834521     -0.414290
  H     -10.718811      4.565891     -1.506794
  H      -8.932305      2.873184     -1.070344
  H      -7.074485      1.136298      6.745163
  H      -6.753870      2.014825      5.237426
  H      -6.388634      4.119824      6.808184
  H      -7.240500      3.165551      8.029739
  H      -8.996372      4.365104      6.989788
  H      -9.039913      2.821063      6.081231
  H      -9.579073      6.579008      4.610629
  H     -11.469348      6.677384      2.975942
  H     -11.822419      2.530613      1.029602
  H     -10.495832      0.386225      1.232319
  H      -8.586478      0.298727      2.843827
  N      -4.785113      1.606435      3.564419
  N      -5.386052      1.467873      2.581459
  H      -4.724934      1.271126      0.958622
101
Coordinates from ORCA-job orca E -6484.157454170456
  N      -2.707618     -0.003442      4.955563
  Mo     -3.693108      1.720137      5.165084
  N      -5.094898      1.805749      6.519308
  C      -4.683647      1.870406      7.929763
  C      -3.298470      1.264258      8.100613
  N      -2.401755      1.724972      7.006732
  C      -1.283313      0.776549      6.769178
  C      -1.796170     -0.436288      6.015402
  C      -1.898725      3.110007      7.206517
  C      -1.654950      3.708741      5.824499
  N      -2.870813      3.547145      5.016870
  H      -0.929097     -0.987903      5.609730
  H      -2.312780     -1.143036      6.696544
  H      -0.542021      1.298893      6.149489
  H      -0.799320      0.495493      7.720562
  H      -1.375530      4.771485      5.915680
  H      -0.806596      3.203248      5.334490
  H      -2.682161      3.684637      7.719857
  H      -0.996950      3.109684      7.844109
  H      -5.393392      1.310119      8.565853
  H      -4.697923      2.914422      8.294336
  H      -3.373185      0.171448      8.017312
  H      -2.867222      1.505943      9.087682
  C      -3.152910     -1.117765      4.119620
  C      -2.091542     -1.578869      3.106991
  C      -1.678576     -0.513773      2.115101
  O      -2.804601     -0.178788      1.239690
  C      -2.582532      0.063107     -0.062258
  C      -1.536199     -0.414956     -0.841441
  C      -1.484720     -0.090345     -2.213132
  N      -2.362149      0.665107     -2.856945
  C      -3.389293      1.160422     -2.117189
  C      -4.350514      1.999785     -2.736020
  C      -5.381998      2.543012     -1.996780
  C      -5.478902      2.258009     -0.628521
  N      -4.588010      1.450304     -0.049656
  C      -3.541669      0.886950     -0.726662
  C      -3.655648      4.787331      4.974347
  C      -4.897043      4.757273      4.086175
  C      -4.547370      4.803444      2.605701
  O      -5.692194      4.591356      1.747124
  C      -6.577474      5.592524      1.581137
  C      -6.488253      6.862747      2.132370
  C      -7.503917      7.805037      1.865315
  N      -8.564760      7.592055      1.103534
  C      -8.655146      6.357264      0.527220
  C      -9.748764      6.077165     -0.327923
  C      -9.844181      4.839969     -0.925487
  C      -8.844299      3.879788     -0.660240
  N      -7.806963      4.093574      0.136336
  C      -7.700307      5.311732      0.730773
  C      -6.535434      1.959439      6.328339
  C      -7.098946      3.248126      6.955628
  C      -8.418904      3.664542      6.334158
  O      -8.116898      4.409483      5.120850
  C      -9.145852      4.508568      4.228760
  C      -9.805671      5.707253      4.047582
  C     -10.852853      5.785113      3.101533
  N     -11.267225      4.774253      2.354162
  C     -10.604195      3.589748      2.498236
  C     -10.979243      2.483559      1.697029
  C     -10.285021      1.300042      1.816872
  C      -9.216891      1.222358      2.741467
  N      -8.841906      2.219568      3.526860
  C      -9.521031      3.393537      3.415914
  H      -3.436771     -1.981861      4.750719
  H      -4.053908     -0.818632      3.569668
  H      -1.177618     -1.900066      3.633321
  H      -2.467235     -2.462217      2.567172
  H      -0.821317     -0.844238      1.519122
  H      -1.417585      0.422613      2.632823
  H      -0.761923     -1.056304     -0.425532
  H      -0.660752     -0.488719     -2.812462
  H      -4.235854      2.204844     -3.801395
  H      -6.124462      3.201549     -2.446000
  H      -6.263213      2.699257      0.000621
  H      -2.992321      5.608496      4.637100
  H      -3.975926      5.061354      5.999998
  H      -5.527165      5.614955      4.358235
  H      -5.505608      3.864777      4.289051
  H      -3.867947      3.981119      2.348372
  H      -4.056665      5.752997      2.333092
  H      -5.657574      7.153469      2.771954
  H      -7.426332      8.797914      2.320324
  H     -10.492376      6.859340     -0.486200
  H     -10.675845      4.591703     -1.585608
  H      -8.903515      2.888562     -1.121342
  H      -7.073082      1.092371      6.762617
  H      -6.749120      1.966709      5.251653
  H      -6.383183      4.075142      6.816292
  H      -7.238338      3.128416      8.040740
  H      -8.993780      4.326453      7.003190
  H      -9.038581      2.788507      6.084447
  H      -9.523026      6.578981      4.637781
  H     -11.377107      6.736251      2.967176
  H     -11.809781      2.606013      0.999998
  H     -10.543448      0.428460      1.213802
  H      -8.646960      0.293610      2.836183
  N      -4.772525      1.568181      3.582868
  N      -5.371778      1.418189      2.600738
  H      -4.703751      1.247182      0.982100
101
Coordinates from ORCA-job orca E -6484.158133888403
  N      -2.738826     -0.011704      4.935310
  Mo     -3.710924      1.718363      5.158063
  N      -5.104125      1.811466      6.521620
  C      -4.683495      1.873324      7.929194
  C      -3.302844      1.255115      8.091548
  N      -2.409411      1.708534      6.992290
  C      -1.301234      0.750260      6.746154
  C      -1.827468     -0.455812      5.990407
  C      -1.893592      3.089550      7.189383
  C      -1.651718      3.688825      5.806952
  N      -2.871690      3.535498      5.003599
  H      -0.965713     -1.012379      5.580191
  H      -2.347334     -1.160579      6.671269
  H      -0.557721      1.267715      6.125216
  H      -0.815428      0.461153      7.694219
  H      -1.365483      4.749645      5.898666
  H      -0.808105      3.179204      5.312784
  H      -2.670354      3.670090      7.706209
  H      -0.989075      3.082018      7.823140
  H      -5.394379      1.319901      8.569996
  H      -4.685899      2.917621      8.293364
  H      -3.386621      0.162899      8.008665
  H      -2.863850      1.493279      9.076047
  C      -3.204001     -1.117564      4.099305
  C      -2.152108     -1.610355      3.092330
  C      -1.660117     -0.546893      2.134119
  O      -2.752540     -0.112950      1.263461
  C      -2.522928      0.144201     -0.031784
  C      -1.448512     -0.274618     -0.807537
  C      -1.398499      0.069244     -2.174479
  N      -2.302420      0.791216     -2.819754
  C      -3.358403      1.228284     -2.083807
  C      -4.349922      2.031079     -2.703701
  C      -5.412242      2.519213     -1.970952
  C      -5.512741      2.208720     -0.608218
  N      -4.593804      1.434173     -0.029441
  C      -3.513203      0.930462     -0.698820
  C      -3.641061      4.784105      4.945784
  C      -4.887996      4.752158      4.065875
  C      -4.551823      4.752367      2.581843
  O      -5.712688      4.541261      1.744022
  C      -6.577689      5.557442      1.562863
  C      -6.458560      6.835810      2.089258
  C      -7.456307      7.793909      1.811469
  N      -8.526367      7.589244      1.060311
  C      -8.646887      6.345796      0.508946
  C      -9.752424      6.072950     -0.333061
  C      -9.880632      4.826059     -0.903324
  C      -8.902541      3.848310     -0.621980
  N      -7.854824      4.054947      0.162862
  C      -7.713812      5.283533      0.727753
  C      -6.544463      1.976701      6.341072
  C      -7.091555      3.277969      6.957496
  C      -8.410392      3.702161      6.338076
  O      -8.110777      4.440967      5.119867
  C      -9.137786      4.525086      4.224577
  C      -9.793280      5.722332      4.018622
  C     -10.840516      5.784174      3.071580
  N     -11.259443      4.759372      2.345867
  C     -10.599149      3.576379      2.512387
  C     -10.977223      2.455330      1.733380
  C     -10.281769      1.274379      1.871480
  C      -9.208494      1.214277      2.791542
  N      -8.832896      2.225364      3.558629
  C      -9.514527      3.396219      3.431380
  H      -3.510612     -1.973959      4.730648
  H      -4.094637     -0.799177      3.543852
  H      -1.266617     -1.998114      3.621859
  H      -2.570558     -2.456290      2.524232
  H      -0.820607     -0.920498      1.539337
  H      -1.342218      0.355513      2.679240
  H      -0.645097     -0.881570     -0.396105
  H      -0.549429     -0.282329     -2.768062
  H      -4.230556      2.254016     -3.765000
  H      -6.177156      3.152201     -2.418823
  H      -6.316180      2.618256      0.017962
  H      -2.970506      5.592488      4.592126
  H      -3.953296      5.077505      5.968619
  H      -5.501436      5.627737      4.319137
  H      -5.510410      3.876534      4.296590
  H      -3.892060      3.910192      2.338138
  H      -4.046111      5.684576      2.278887
  H      -5.618299      7.120960      2.718879
  H      -7.354845      8.793301      2.247071
  H     -10.479177      6.868595     -0.502466
  H     -10.722405      4.582990     -1.552448
  H      -8.990125      2.847673     -1.057723
  H      -7.085855      1.119880      6.790610
  H      -6.767836      1.972939      5.266448
  H      -6.367591      4.095769      6.806400
  H      -7.226893      3.170903      8.044453
  H      -8.978065      4.371273      7.005779
  H      -9.036836      2.829506      6.094644
  H      -9.509837      6.604350      4.593286
  H     -11.360881      6.734406      2.917231
  H     -11.809581      2.565017      1.036328
  H     -10.542122      0.392152      1.284934
  H      -8.633793      0.289134      2.897591
  N      -4.798462      1.570146      3.583705
  N      -5.407233      1.399402      2.610187
  H      -4.746093      1.254815      1.003233
101
Coordinates from ORCA-job orca E -6484.158331892550
  N      -2.746217     -0.006740      4.913379
  Mo     -3.719627      1.722564      5.148907
  N      -5.114239      1.803571      6.513202
  C      -4.696023      1.850885      7.921070
  C      -3.316738      1.230211      8.078870
  N      -2.422434      1.694075      6.985814
  C      -1.312275      0.740503      6.733021
  C      -1.833882     -0.458149      5.964324
  C      -1.910499      3.075694      7.194796
  C      -1.664925      3.689903      5.818208
  N      -2.879917      3.537554      5.006089
  H      -0.969947     -1.007857      5.549406
  H      -2.352235     -1.171084      6.637854
  H      -0.568442      1.265874      6.119146
  H      -0.827993      0.442844      7.679118
  H      -1.385015      4.751231      5.922271
  H      -0.815257      3.190639      5.323465
  H      -2.690687      3.649292      7.714170
  H      -1.007922      3.065618      7.831307
  H      -5.408281      1.291460      8.555154
  H      -4.698625      2.891428      8.296078
  H      -3.400360      0.138790      7.984861
  H      -2.879229      1.458384      9.066359
  C      -3.214154     -1.110647      4.076866
  C      -2.159797     -1.612643      3.077160
  C      -1.633477     -0.547523      2.139990
  O      -2.709977     -0.076868      1.271984
  C      -2.476332      0.182713     -0.020250
  C      -1.386301     -0.207449     -0.788364
  C      -1.335060      0.138791     -2.154874
  N      -2.251310      0.838678     -2.806561
  C      -3.322651      1.249368     -2.076862
  C      -4.328162      2.029291     -2.703135
  C      -5.407175      2.490807     -1.977945
  C      -5.510824      2.172893     -0.617202
  N      -4.578059      1.421340     -0.031407
  C      -3.480159      0.946630     -0.693723
  C      -3.645456      4.787415      4.931645
  C      -4.888533      4.750032      4.045375
  C      -4.554986      4.727660      2.560865
  O      -5.724281      4.514853      1.734228
  C      -6.574388      5.540514      1.535047
  C      -6.430029      6.827035      2.034895
  C      -7.410650      7.797664      1.741473
  N      -8.486962      7.597818      0.998468
  C      -8.634597      6.345270      0.475383
  C      -9.751203      6.077036     -0.352873
  C      -9.908992      4.821591     -0.894774
  C      -8.949143      3.830624     -0.598794
  N      -7.891538      4.031244      0.174644
  C      -7.720982      5.269230      0.711783
  C      -6.553627      1.974863      6.338262
  C      -7.091855      3.274107      6.966338
  C      -8.408935      3.711117      6.353084
  O      -8.112833      4.464494      5.143293
  C      -9.139772      4.545287      4.249701
  C      -9.780464      5.747236      4.024681
  C     -10.831969      5.804859      3.082473
  N     -11.266084      4.772644      2.375932
  C     -10.616228      3.586048      2.556983
  C     -11.008120      2.456984      1.796444
  C     -10.322185      1.271915      1.948176
  C      -9.244820      1.215494      2.863719
  N      -8.857467      2.234132      3.615046
  C      -9.530114      3.408887      3.474507
  H      -3.528469     -1.964690      4.707867
  H      -4.099573     -0.788568      3.516071
  H      -1.289065     -2.026169      3.610796
  H      -2.589015     -2.441955      2.492598
  H      -0.801462     -0.936723      1.544078
  H      -1.294794      0.338039      2.699434
  H      -0.566276     -0.788972     -0.373038
  H      -0.471904     -0.190033     -2.741077
  H      -4.205583      2.256446     -3.763191
  H      -6.182608      3.107474     -2.430026
  H      -6.326361      2.564454      0.004360
  H      -2.970703      5.591794      4.576527
  H      -3.964501      5.089518      5.949914
  H      -5.497542      5.632344      4.285724
  H      -5.516646      3.881339      4.286909
  H      -3.903405      3.876893      2.326288
  H      -4.042638      5.651191      2.242921
  H      -5.581984      7.109519      2.655096
  H      -7.288245      8.803962      2.155247
  H     -10.462746      6.883648     -0.534563
  H     -10.759723      4.582291     -1.533450
  H      -9.060171      2.823272     -1.013114
  H      -7.095915      1.117411      6.785148
  H      -6.782117      1.978143      5.264919
  H      -6.363030      4.088581      6.821073
  H      -7.225902      3.158732      8.052645
  H      -8.972258      4.375327      7.028996
  H      -9.038709      2.843885      6.100657
  H      -9.483407      6.635542      4.582713
  H     -11.341072      6.758570      2.913513
  H     -11.842482      2.564176      1.101442
  H     -10.593084      0.383717      1.375627
  H      -8.676749      0.286724      2.979765
  N      -4.804939      1.571201      3.575204
  N      -5.415463      1.377995      2.606080
  H      -4.737058      1.233886      1.002656
101
Coordinates from ORCA-job orca E -6484.158542459242
  N      -2.767990     -0.026783      4.905600
  Mo     -3.735429      1.703278      5.146075
  N      -5.120482      1.786374      6.521348
  C      -4.690232      1.833537      7.925251
  C      -3.309541      1.212807      8.072849
  N      -2.423839      1.677014      6.972816
  C      -1.316545      0.723273      6.709849
  C      -1.842414     -0.475718      5.944728
  C      -1.909753      3.058143      7.177547
  C      -1.674499      3.675019      5.800880
  N      -2.892962      3.517489      4.994853
  H      -0.979696     -1.019450      5.518687
  H      -2.349647     -1.192979      6.621997
  H      -0.577097      1.250237      6.092129
  H      -0.824748      0.423315      7.651341
  H      -1.400968      4.737766      5.906941
  H      -0.823549      3.183352      5.300344
  H      -2.686041      3.631716      7.702863
  H      -1.002679      3.048233      7.807664
  H      -5.398442      1.275578      8.565263
  H      -4.688483      2.874225      8.300199
  H      -3.392267      0.121108      7.980124
  H      -2.865248      1.441819      9.057079
  C      -3.242414     -1.129203      4.071886
  C      -2.192395     -1.626765      3.065475
  C      -1.641562     -0.551886      2.154993
  O      -2.705513     -0.032521      1.303590
  C      -2.462160      0.240950      0.016775
  C      -1.352478     -0.113083     -0.739124
  C      -1.286640      0.255644     -2.099659
  N      -2.205744      0.949338     -2.754083
  C      -3.295516      1.327838     -2.033119
  C      -4.304813      2.102026     -2.660468
  C      -5.404337      2.528788     -1.944463
  C      -5.525561      2.176138     -0.594395
  N      -4.588791      1.431730     -0.007661
  C      -3.468988      0.996301     -0.659341
  C      -3.651161      4.770344      4.902417
  C      -4.895056      4.730267      4.017578
  C      -4.564370      4.689114      2.532478
  O      -5.736385      4.476793      1.709479
  C      -6.584820      5.503110      1.504178
  C      -6.437298      6.794771      1.989618
  C      -7.417046      7.763672      1.686535
  N      -8.493140      7.558927      0.944594
  C      -8.645765      6.300107      0.438697
  C      -9.764985      6.023082     -0.383116
  C      -9.931585      4.758420     -0.900084
  C      -8.977060      3.767648     -0.587619
  N      -7.915477      3.977676      0.177632
  C      -7.735626      5.224288      0.689615
  C      -6.559133      1.969482      6.359112
  C      -7.072008      3.285524      6.972863
  C      -8.383852      3.744414      6.365073
  O      -8.084413      4.480135      5.145674
  C      -9.110519      4.564431      4.252327
  C      -9.723649      5.776942      4.007214
  C     -10.775339      5.842716      3.066318
  N     -11.232261      4.809942      2.375608
  C     -10.606042      3.613340      2.571026
  C     -11.018712      2.484581      1.821271
  C     -10.353223      1.289060      1.982261
  C      -9.276356      1.221814      2.897632
  N      -8.872386      2.239883      3.641287
  C      -9.523696      3.425571      3.491083
  H      -3.546984     -1.986983      4.702811
  H      -4.134139     -0.808953      3.521112
  H      -1.330276     -2.064543      3.592683
  H      -2.632727     -2.436333      2.461399
  H      -0.826804     -0.956151      1.544106
  H      -1.271333      0.307389      2.734249
  H      -0.520689     -0.673307     -0.317724
  H      -0.406492     -0.044559     -2.675741
  H      -4.167056      2.350709     -3.713849
  H      -6.183929      3.140360     -2.394388
  H      -6.360250      2.531834      0.023060
  H      -2.973624      5.568020      4.537072
  H      -3.967515      5.085576      5.917618
  H      -5.497714      5.619810      4.246836
  H      -5.528796      3.870430      4.270846
  H      -3.920587      3.831236      2.303078
  H      -4.046347      5.606211      2.205383
  H      -5.588205      7.083362      2.605403
  H      -7.291314      8.774633      2.087807
  H     -10.473149      6.829819     -0.577296
  H     -10.786344      4.511168     -1.530160
  H      -9.096605      2.752721     -0.980238
  H      -7.106474      1.126891      6.827322
  H      -6.799951      1.956468      5.288660
  H      -6.328632      4.084297      6.814935
  H      -7.202193      3.183319      8.061056
  H      -8.924481      4.428571      7.039473
  H      -9.036682      2.890258      6.127955
  H      -9.404435      6.669065      4.547369
  H     -11.261255      6.805319      2.880646
  H     -11.849805      2.601355      1.123559
  H     -10.639299      0.401323      1.416437
  H      -8.720570      0.285496      3.018464
  N      -4.826395      1.551342      3.579985
  N      -5.439363      1.358724      2.610801
  H      -4.744782      1.241513      1.026046
101
Coordinates from ORCA-job orca E -6484.158697239256
  N      -2.774719     -0.036876      4.902758
  Mo     -3.743702      1.690524      5.147874
  N      -5.117673      1.775636      6.534148
  C      -4.676664      1.826592      7.934753
  C      -3.293059      1.208934      8.072536
  N      -2.417075      1.672770      6.963996
  C      -1.309527      0.721172      6.693535
  C      -1.839898     -0.481550      5.935684
  C      -1.904477      3.054598      7.162510
  C      -1.679785      3.668296      5.784215
  N      -2.902112      3.504799      4.985652
  H      -0.979662     -1.025145      5.504569
  H      -2.340541     -1.198019      6.618732
  H      -0.576556      1.249134      6.068800
  H      -0.809005      0.424075      7.631436
  H      -1.411598      4.732558      5.888096
  H      -0.828754      3.180805      5.279622
  H      -2.677972      3.628233      7.691828
  H      -0.992914      3.047656      7.786176
  H      -5.379031      1.268098      8.580810
  H      -4.674472      2.867728      8.308524
  H      -3.374600      0.116964      7.982499
  H      -2.840837      1.440489      9.052623
  C      -3.256956     -1.139353      4.073266
  C      -2.214314     -1.643779      3.061245
  C      -1.639270     -0.568339      2.164546
  O      -2.687310     -0.004033      1.320471
  C      -2.436153      0.290160      0.038277
  C      -1.312335     -0.029907     -0.712145
  C      -1.247658      0.350230     -2.069948
  N      -2.180178      1.023639     -2.726192
  C      -3.283171      1.371984     -2.009882
  C      -4.307956      2.124188     -2.638989
  C      -5.422244      2.519385     -1.926972
  C      -5.539725      2.161211     -0.578529
  N      -4.587996      1.436136      0.009279
  C      -3.455941      1.027877     -0.639310
  C      -3.655980      4.759811      4.886862
  C      -4.901435      4.720871      4.005838
  C      -4.568908      4.670270      2.521674
  O      -5.739551      4.466332      1.695800
  C      -6.576464      5.499882      1.480838
  C      -6.415571      6.794656      1.953316
  C      -7.381786      7.772067      1.633834
  N      -8.457389      7.571600      0.889768
  C      -8.623302      6.308608      0.398214
  C      -9.741813      6.034599     -0.425767
  C      -9.920522      4.765390     -0.928303
  C      -8.979004      3.767248     -0.599372
  N      -7.918834      3.974845      0.168425
  C      -7.727408      5.225243      0.666036
  C      -6.557391      1.959483      6.377568
  C      -7.067881      3.282048      6.979955
  C      -8.382642      3.737088      6.375128
  O      -8.086672      4.464665      5.149451
  C      -9.111201      4.552526      4.254290
  C      -9.703260      5.772856      3.995410
  C     -10.753991      5.847242      3.054107
  N     -11.232213      4.814769      2.377750
  C     -10.629126      3.608933      2.588205
  C     -11.065883      2.479230      1.853701
  C     -10.423481      1.273145      2.027690
  C      -9.345583      1.196511      2.940899
  N      -8.919264      2.215629      3.670456
  C      -9.547481      3.412016      3.507534
  H      -3.562887     -1.995105      4.706331
  H      -4.150016     -0.815512      3.526924
  H      -1.360407     -2.102894      3.584212
  H      -2.667712     -2.438911      2.448166
  H      -0.836996     -0.986293      1.547226
  H      -1.244899      0.271090      2.756629
  H      -0.469348     -0.572429     -0.290460
  H      -0.358313      0.072730     -2.643304
  H      -4.170626      2.381216     -3.690422
  H      -6.214817      3.113668     -2.378331
  H      -6.384406      2.494553      0.038027
  H      -2.976938      5.552107      4.512935
  H      -3.966296      5.083385      5.901283
  H      -5.498961      5.615459      4.229502
  H      -5.540170      3.866226      4.264799
  H      -3.933035      3.805217      2.296681
  H      -4.041244      5.581174      2.192884
  H      -5.565662      7.080203      2.569634
  H      -7.246070      8.785692      2.025104
  H     -10.439455      6.847116     -0.633542
  H     -10.775409      4.520193     -1.559088
  H      -9.108561      2.748950     -0.979861
  H      -7.103434      1.122066      6.856683
  H      -6.802949      1.935215      5.308229
  H      -6.324967      4.079126      6.810721
  H      -7.192609      3.190378      8.069699
  H      -8.917833      4.427729      7.047562
  H      -9.039038      2.883080      6.148246
  H      -9.369774      6.664649      4.527134
  H     -11.224889      6.815783      2.860388
  H     -11.897404      2.603435      1.157779
  H     -10.729134      0.383893      1.474629
  H      -8.810264      0.250603      3.074250
  N      -4.848517      1.532009      3.593437
  N      -5.463910      1.338624      2.625644
  H      -4.739192      1.238232      1.038831
101
Coordinates from ORCA-job orca E -6484.158790709255
  N      -2.793326     -0.051147      4.890149
  Mo     -3.757381      1.678140      5.139710
  N      -5.123478      1.765385      6.534534
  C      -4.676143      1.811041      7.932816
  C      -3.293687      1.189870      8.061738
  N      -2.422557      1.654208      6.949766
  C      -1.316326      0.702625      6.672766
  C      -1.852400     -0.498723      5.916610
  C      -1.909403      3.035786      7.147960
  C      -1.689212      3.653662      5.770333
  N      -2.912309      3.487868      4.972573
  H      -0.995809     -1.043300      5.479755
  H      -2.349554     -1.215534      6.601904
  H      -0.586156      1.231253      6.045144
  H      -0.811397      0.404145      7.608010
  H      -1.427431      4.718930      5.879328
  H      -0.835329      3.173885      5.262983
  H      -2.680874      3.608435      7.681214
  H      -0.995166      3.027799      7.767788
  H      -5.376836      1.251682      8.580073
  H      -4.670350      2.850776      8.310714
  H      -3.378619      0.098457      7.969238
  H      -2.835445      1.417470      9.040040
  C      -3.284028     -1.150173      4.060573
  C      -2.247193     -1.669552      3.048229
  C      -1.633317     -0.596486      2.172465
  O      -2.656178      0.018504      1.331347
  C      -2.385636      0.360728      0.063921
  C      -1.232762      0.114452     -0.670373
  C      -1.164277      0.530431     -2.018200
  N      -2.117782      1.171315     -2.676690
  C      -3.248439      1.451834     -1.973470
  C      -4.299472      2.166099     -2.603479
  C      -5.443041      2.490502     -1.901066
  C      -5.560221      2.105393     -0.560210
  N      -4.582182      1.415138      0.027777
  C      -3.425249      1.069955     -0.614036
  C      -3.659113      4.745824      4.855663
  C      -4.908913      4.697971      3.980464
  C      -4.584665      4.621124      2.495904
  O      -5.761496      4.406293      1.681842
  C      -6.599468      5.436981      1.457154
  C      -6.432753      6.737858      1.909986
  C      -7.393682      7.714947      1.573754
  N      -8.469236      7.507865      0.831544
  C      -8.642111      6.237521      0.361171
  C      -9.759449      5.956949     -0.462228
  C      -9.946050      4.679837     -0.941962
  C      -9.014625      3.679917     -0.589448
  N      -7.954163      3.894219      0.176525
  C      -7.754035      5.153147      0.649954
  C      -6.562189      1.962428      6.385287
  C      -7.056476      3.289182      6.993784
  C      -8.366191      3.765090      6.395285
  O      -8.062813      4.505222      5.178477
  C      -9.079439      4.605461      4.276724
  C      -9.649846      5.835087      4.011599
  C     -10.696720      5.924480      3.067235
  N     -11.192201      4.897585      2.394427
  C     -10.610068      3.682517      2.611272
  C     -11.064236      2.557655      1.879813
  C     -10.440474      1.342519      2.056750
  C      -9.364822      1.251653      2.971066
  N      -8.923518      2.265259      3.699211
  C      -9.532997      3.470615      3.532663
  H      -3.602190     -2.001235      4.693886
  H      -4.172415     -0.816136      3.512879
  H      -1.409050     -2.159254      3.570343
  H      -2.715597     -2.444811      2.422080
  H      -0.842533     -1.030968      1.552602
  H      -1.214584      0.218087      2.782199
  H      -0.371810     -0.396504     -0.246292
  H      -0.253817      0.307730     -2.582353
  H      -4.159509      2.452792     -3.646845
  H      -6.257442      3.055580     -2.353080
  H      -6.424420      2.389585      0.052487
  H      -2.977197      5.527547      4.465544
  H      -3.963268      5.088496      5.865666
  H      -5.501034      5.599808      4.190737
  H      -5.551258      3.849894      4.257068
  H      -3.952544      3.750424      2.281576
  H      -4.055449      5.524466      2.149369
  H      -5.581292      7.029347      2.521852
  H      -7.253565      8.733837      1.949574
  H     -10.449710      6.770917     -0.688327
  H     -10.800178      4.429931     -1.572119
  H      -9.151363      2.655455     -0.950541
  H      -7.113377      1.129148      6.866119
  H      -6.813790      1.940816      5.317119
  H      -6.303583      4.077782      6.827917
  H      -7.181115      3.193383      8.083179
  H      -8.890720      4.455778      7.076383
  H      -9.033782      2.922324      6.160662
  H      -9.305425      6.721714      4.544433
  H     -11.154594      6.899408      2.873509
  H     -11.895090      2.692423      1.185458
  H     -10.759733      0.456502      1.506228
  H      -8.847341      0.297527      3.109115
  N      -4.874637      1.510149      3.595681
  N      -5.497747      1.300442      2.636115
  H      -4.744146      1.188655      1.048287
101
Coordinates from ORCA-job orca E -6484.158979262817
  N      -2.826943     -0.054903      4.876865
  Mo     -3.767109      1.688277      5.125643
  N      -5.130067      1.785628      6.523714
  C      -4.681148      1.820983      7.921127
  C      -3.306848      1.182045      8.045760
  N      -2.430710      1.638876      6.934960
  C      -1.335717      0.676115      6.655413
  C      -1.887197     -0.516143      5.897968
  C      -1.902294      3.014108      7.137643
  C      -1.674927      3.637282      5.762853
  N      -2.898325      3.485336      4.962087
  H      -1.038640     -1.068948      5.455719
  H      -2.389238     -1.229855      6.582872
  H      -0.600040      1.197667      6.028347
  H      -0.833724      0.370041      7.589818
  H      -1.406968      4.700174      5.879888
  H      -0.822584      3.155772      5.254539
  H      -2.667186      3.593050      7.673475
  H      -0.987731      2.993249      7.756808
  H      -5.387397      1.266557      8.566701
  H      -4.663410      2.858917      8.303942
  H      -3.406252      0.092254      7.949154
  H      -2.844448      1.399659      9.024387
  C      -3.329371     -1.149789      4.048324
  C      -2.300499     -1.686877      3.035879
  C      -1.660896     -0.625905      2.163813
  O      -2.674896      0.015622      1.332679
  C      -2.385183      0.391199      0.078710
  C      -1.215551      0.167168     -0.635264
  C      -1.121972      0.618111     -1.970664
  N      -2.064008      1.273571     -2.630586
  C      -3.209309      1.535572     -1.944159
  C      -4.249410      2.263543     -2.575872
  C      -5.406393      2.568234     -1.886976
  C      -5.548730      2.150518     -0.558037
  N      -4.579385      1.448245      0.031918
  C      -3.411254      1.119323     -0.598461
  C      -3.622019      4.754861      4.825858
  C      -4.874343      4.712324      3.953480
  C      -4.555562      4.605830      2.469831
  O      -5.739150      4.388040      1.666607
  C      -6.570419      5.422322      1.433418
  C      -6.382951      6.728443      1.861723
  C      -7.335649      7.711237      1.518673
  N      -8.421829      7.503965      0.792571
  C      -8.616807      6.227247      0.348469
  C      -9.746115      5.947090     -0.458413
  C      -9.954240      4.664268     -0.913308
  C      -9.033588      3.657880     -0.550801
  N      -7.961698      3.871287      0.199627
  C      -7.739562      5.136691      0.647163
  C      -6.567583      1.992462      6.378623
  C      -7.052065      3.325047      6.982878
  C      -8.365539      3.799755      6.392902
  O      -8.075231      4.522256      5.162494
  C      -9.096573      4.593700      4.264505
  C      -9.671685      5.813843      3.966495
  C     -10.726091      5.872636      3.028048
  N     -11.224906      4.824548      2.390729
  C     -10.639137      3.617674      2.641625
  C     -11.100841      2.468399      1.953977
  C     -10.476145      1.259589      2.166994
  C      -9.392434      1.199538      3.074272
  N      -8.943854      2.237112      3.762869
  C      -9.554220      3.436296      3.560082
  H      -3.659675     -1.994361      4.683968
  H      -4.213479     -0.805239      3.500459
  H      -1.472970     -2.194680      3.558856
  H      -2.781234     -2.451884      2.407230
  H      -0.887865     -1.078210      1.532945
  H      -1.216030      0.172877      2.775883
  H      -0.362029     -0.349356     -0.202456
  H      -0.198654      0.415971     -2.521590
  H      -4.090664      2.579285     -3.608081
  H      -6.212473      3.144550     -2.340784
  H      -6.419446      2.422425      0.048090
  H      -2.926376      5.517133      4.421890
  H      -3.918349      5.120479      5.830033
  H      -5.451992      5.626881      4.149162
  H      -5.529260      3.878186      4.245496
  H      -3.932424      3.725187      2.269211
  H      -4.018214      5.497465      2.105752
  H      -5.520796      7.020201      2.458494
  H      -7.178615      8.734956      1.874059
  H     -10.427092      6.766232     -0.693750
  H     -10.816664      4.415200     -1.532530
  H      -9.187517      2.629267     -0.892566
  H      -7.121571      1.164867      6.866335
  H      -6.823964      1.965770      5.311722
  H      -6.297563      4.109898      6.806807
  H      -7.169486      3.235996      8.073693
  H      -8.878119      4.502695      7.070686
  H      -9.039731      2.957242      6.178040
  H      -9.326162      6.716410      4.470942
  H     -11.187506      6.840422      2.808331
  H     -11.939821      2.579456      1.265508
  H     -10.800352      0.355355      1.650034
  H      -8.875935      0.249832      3.241435
  N      -4.889758      1.529212      3.583771
  N      -5.521272      1.316250      2.631020
  H      -4.746974      1.192108      1.043892
101
Coordinates from ORCA-job orca E -6484.159250755227
  N      -2.847653     -0.074731      4.860105
  Mo     -3.777539      1.674482      5.106950
  N      -5.128001      1.779724      6.517231
  C      -4.667408      1.817139      7.910378
  C      -3.294967      1.172382      8.024751
  N      -2.426453      1.623509      6.905677
  C      -1.337014      0.656774      6.620126
  C      -1.899816     -0.536243      5.872740
  C      -1.893086      2.997797      7.100666
  C      -1.672526      3.617522      5.723252
  N      -2.900767      3.465817      4.929559
  H      -1.058125     -1.094103      5.423434
  H      -2.397410     -1.245641      6.565214
  H      -0.605585      1.173173      5.983980
  H      -0.827677      0.353107      7.551246
  H      -1.403736      4.680555      5.837987
  H      -0.822770      3.135037      5.211571
  H      -2.653072      3.580537      7.639334
  H      -0.974457      2.975933      7.713768
  H      -5.370457      1.267265      8.563325
  H      -4.641866      2.856016      8.290387
  H      -3.400197      0.082851      7.931117
  H      -2.822905      1.389910      8.998725
  C      -3.362496     -1.172291      4.043342
  C      -2.345233     -1.731737      3.032496
  C      -1.668065     -0.687028      2.170118
  O      -2.667569      0.002430      1.363564
  C      -2.354028      0.429011      0.133384
  C      -1.152398      0.261292     -0.541478
  C      -1.021015      0.763379     -1.854861
  N      -1.955015      1.418315     -2.525625
  C      -3.131649      1.626753     -1.875165
  C      -4.164959      2.350763     -2.521477
  C      -5.354065      2.602921     -1.868271
  C      -5.537885      2.133654     -0.561706
  N      -4.573975      1.434232      0.041459
  C      -3.373532      1.157548     -0.553200
  C      -3.612221      4.740806      4.779620
  C      -4.873294      4.699043      3.919724
  C      -4.568514      4.586683      2.432999
  O      -5.757047      4.365739      1.637514
  C      -6.582266      5.402065      1.390643
  C      -6.375874      6.716166      1.784726
  C      -7.325967      7.699457      1.436023
  N      -8.424471      7.486122      0.731085
  C      -8.636781      6.202099      0.317436
  C      -9.779621      5.916362     -0.467994
  C     -10.004670      4.627177     -0.895229
  C      -9.087220      3.620477     -0.526642
  N      -8.004085      3.838109      0.206079
  C      -7.764898      5.109935      0.626645
  C      -6.564710      1.998555      6.383497
  C      -7.029561      3.340249      6.982144
  C      -8.345388      3.824518      6.405179
  O      -8.066046      4.529279      5.161811
  C      -9.098589      4.601877      4.276859
  C      -9.660890      5.826446      3.971579
  C     -10.725311      5.889573      3.045245
  N     -11.243385      4.842224      2.422332
  C     -10.669958      3.630684      2.678524
  C     -11.152823      2.481424      2.005487
  C     -10.542456      1.266272      2.224175
  C      -9.450889      1.200378      3.121671
  N      -8.981865      2.238473      3.795564
  C      -9.578645      3.443704      3.588355
  H      -3.701746     -2.006742      4.687722
  H      -4.243531     -0.822450      3.494448
  H      -1.534941     -2.267542      3.554340
  H      -2.846261     -2.478272      2.397416
  H      -0.924168     -1.162995      1.519625
  H      -1.181470      0.082658      2.787788
  H      -0.302298     -0.245326     -0.090024
  H      -0.071010      0.610445     -2.375489
  H      -3.975715      2.708016     -3.534814
  H      -6.155739      3.174908     -2.333800
  H      -6.433240      2.369821      0.022318
  H      -2.912086      5.489371      4.357783
  H      -3.894181      5.124819      5.780899
  H      -5.445153      5.616289      4.116694
  H      -5.528302      3.869079      4.221542
  H      -3.946901      3.705455      2.231601
  H      -4.033284      5.476611      2.061077
  H      -5.500658      7.014135      2.358121
  H      -7.153962      8.729502      1.765090
  H     -10.456738      6.736648     -0.710244
  H     -10.877409      4.373468     -1.497759
  H      -9.254893      2.586946     -0.845868
  H      -7.122241      1.180095      6.882483
  H      -6.830872      1.966300      5.319455
  H      -6.269254      4.115655      6.791255
  H      -7.135273      3.260417      8.074978
  H      -8.837926      4.542230      7.082123
  H      -9.033832      2.988755      6.210797
  H      -9.295989      6.730192      4.460422
  H     -11.172222      6.861841      2.816065
  H     -11.995597      2.598104      1.322286
  H     -10.881967      0.361988      1.717227
  H      -8.943221      0.245654      3.290258
  N      -4.916795      1.509497      3.576412
  N      -5.560584      1.288872      2.634015
  H      -4.763749      1.180698      1.048965
101
Coordinates from ORCA-job orca E -6484.159669025119
  N      -2.867799     -0.106672      4.847374
  Mo     -3.784409      1.651274      5.083313
  N      -5.122065      1.771990      6.504810
  C      -4.648850      1.818595      7.893310
  C      -3.278858      1.166683      8.000388
  N      -2.417723      1.605781      6.870539
  C      -1.335423      0.631858      6.583390
  C      -1.911530     -0.565298      5.852386
  C      -1.876796      2.978872      7.050997
  C      -1.662234      3.586137      5.667575
  N      -2.897129      3.435005      4.884123
  H      -1.078274     -1.131370      5.397433
  H      -2.404470     -1.266819      6.556110
  H      -0.608388      1.138290      5.934346
  H      -0.818266      0.335506      7.512432
  H      -1.387785      4.648818      5.772904
  H      -0.818126      3.095276      5.154565
  H      -2.630617      3.569956      7.589162
  H      -0.954010      2.957184      7.657796
  H      -5.348968      1.278298      8.557292
  H      -4.613324      2.860600      8.263948
  H      -3.391563      0.077204      7.915016
  H      -2.796346      1.388193      8.968288
  C      -3.396356     -1.207711      4.045106
  C      -2.391323     -1.787313      3.036025
  C      -1.692582     -0.759065      2.172997
  O      -2.685842     -0.037854      1.389272
  C      -2.334280      0.480026      0.206492
  C      -1.092167      0.398500     -0.409117
  C      -0.914318      0.980028     -1.683226
  N      -1.842280      1.629425     -2.367796
  C      -3.058653      1.753507     -1.771881
  C      -4.090942      2.461371     -2.437290
  C      -5.321021      2.629892     -1.835367
  C      -5.546562      2.097902     -0.560015
  N      -4.583991      1.409429      0.057527
  C      -3.345973      1.208610     -0.488257
  C      -3.591702      4.717308      4.717122
  C      -4.867396      4.679010      3.878379
  C      -4.581899      4.551834      2.388322
  O      -5.776526      4.325820      1.604226
  C      -6.602373      5.360654      1.351663
  C      -6.389840      6.679801      1.725330
  C      -7.345079      7.658857      1.378266
  N      -8.452432      7.436876      0.690192
  C      -8.668864      6.148296      0.293366
  C      -9.821035      5.853695     -0.475008
  C     -10.050332      4.559984     -0.885582
  C      -9.128064      3.557936     -0.517010
  N      -8.036676      3.783756      0.200448
  C      -7.792905      5.060044      0.604256
  C      -6.556761      2.008883      6.380320
  C      -6.994181      3.363020      6.969953
  C      -8.309968      3.863023      6.406070
  O      -8.038701      4.540133      5.145391
  C      -9.085533      4.623304      4.277654
  C      -9.633736      5.855089      3.975158
  C     -10.711481      5.931032      3.065901
  N     -11.255180      4.889583      2.455286
  C     -10.696650      3.670433      2.707637
  C     -11.207188      2.526714      2.045671
  C     -10.613489      1.302580      2.260432
  C      -9.509585      1.222640      3.141799
  N      -9.013813      2.255864      3.803985
  C      -9.594695      3.469767      3.601830
  H      -3.742746     -2.031679      4.699234
  H      -4.275227     -0.853796      3.495534
  H      -1.591923     -2.340988      3.555520
  H      -2.909612     -2.523251      2.401998
  H      -0.977608     -1.252703      1.501649
  H      -1.168609     -0.011863      2.788503
  H      -0.250125     -0.101528      0.064290
  H       0.067183      0.898510     -2.159716
  H      -3.870734      2.874306     -3.422794
  H      -6.124819      3.183545     -2.317454
  H      -6.474403      2.278916     -0.006918
  H      -2.886238      5.444544      4.267182
  H      -3.848983      5.128221      5.714093
  H      -5.428050      5.602976      4.075044
  H      -5.524420      3.857702      4.196585
  H      -3.963476      3.667809      2.189289
  H      -4.048361      5.436734      2.002374
  H      -5.506391      6.984809      2.281552
  H      -7.168875      8.692870      1.692248
  H     -10.501697      6.670778     -0.717912
  H     -10.929513      4.299082     -1.475288
  H      -9.299688      2.520790     -0.821426
  H      -7.122699      1.203479      6.890740
  H      -6.831402      1.971634      5.319012
  H      -6.224289      4.123798      6.760915
  H      -7.087356      3.295788      8.064910
  H      -8.776216      4.601779      7.078632
  H      -9.018243      3.038168      6.237987
  H      -9.245724      6.755587      4.452488
  H     -11.143909      6.909578      2.836229
  H     -12.057187      2.655163      1.373175
  H     -10.974158      0.401995      1.761567
  H      -9.013303      0.260104      3.304472
  N      -4.942346      1.478551      3.563500
  N      -5.601255      1.254513      2.632794
  H      -4.788295      1.123134      1.051331
101
Coordinates from ORCA-job orca E -6484.160117655229
  N      -2.894646     -0.142848      4.831747
  Mo     -3.792587      1.626121      5.057947
  N      -5.113424      1.770606      6.492840
  C      -4.623045      1.831302      7.875198
  C      -3.256995      1.168619      7.973833
  N      -2.405686      1.588146      6.828573
  C      -1.335188      0.601474      6.539351
  C      -1.929907     -0.599896      5.828449
  C      -1.850446      2.958069      6.987059
  C      -1.643547      3.544313      5.594445
  N      -2.888762      3.397562      4.827057
  H      -1.107738     -1.177686      5.367969
  H      -2.419206     -1.290269      6.545879
  H      -0.612836      1.093464      5.874160
  H      -0.808404      0.312885      7.465299
  H      -1.354853      4.604828      5.682071
  H      -0.811294      3.035263      5.079722
  H      -2.594158      3.563174      7.523598
  H      -0.922170      2.935315      7.585310
  H      -5.319671      1.306311      8.554880
  H      -4.572921      2.877846      8.230855
  H      -3.380449      0.079376      7.901633
  H      -2.760425      1.396730      8.933017
  C      -3.445768     -1.244030      4.046201
  C      -2.460274     -1.845394      3.034540
  C      -1.739309     -0.834635      2.170936
  O      -2.721524     -0.068372      1.418481
  C      -2.327508      0.557379      0.304491
  C      -1.045420      0.583777     -0.230826
  C      -0.820822      1.255652     -1.451405
  N      -1.742918      1.890206     -2.158748
  C      -2.998389      1.911047     -1.636578
  C      -4.030846      2.590292     -2.331906
  C      -5.302295      2.659547     -1.799836
  C      -5.566985      2.065008     -0.560422
  N      -4.606349      1.393415      0.077063
  C      -3.331400      1.280838     -0.403731
  C      -3.559822      4.689333      4.641317
  C      -4.853973      4.658135      3.831676
  C      -4.592286      4.490629      2.341158
  O      -5.797764      4.262863      1.576096
  C      -6.616031      5.301890      1.315503
  C      -6.391435      6.624006      1.671517
  C      -7.344064      7.605245      1.323104
  N      -8.460647      7.381718      0.650275
  C      -8.687605      6.090222      0.269185
  C      -9.850002      5.793186     -0.482861
  C     -10.090388      4.496197     -0.876257
  C      -9.169341      3.493395     -0.505876
  N      -8.069083      3.721736      0.196588
  C      -7.813837      5.000909      0.582048
  C      -6.546103      2.026362      6.378627
  C      -6.956792      3.395072      6.951941
  C      -8.272212      3.904978      6.395652
  O      -8.006335      4.550219      5.117075
  C      -9.066501      4.641617      4.265403
  C      -9.605704      5.877129      3.962584
  C     -10.694872      5.958974      3.067815
  N     -11.261139      4.919210      2.475193
  C     -10.714404      3.695164      2.729603
  C     -11.250182      2.552001      2.086853
  C     -10.668123      1.322446      2.302777
  C      -9.549321      1.236631      3.164971
  N      -9.029953      2.269557      3.809354
  C      -9.600055      3.488736      3.607103
  H      -3.798472     -2.057496      4.710399
  H      -4.323349     -0.883121      3.499137
  H      -1.674750     -2.425887      3.544757
  H      -3.005468     -2.562034      2.400005
  H      -1.062410     -1.347591      1.473416
  H      -1.167552     -0.119327      2.783108
  H      -0.212310      0.095200      0.268780
  H       0.191384      1.259682     -1.866710
  H      -3.780171      3.060913     -3.283675
  H      -6.109343      3.183434     -2.308566
  H      -6.529445      2.182063     -0.049978
  H      -2.848822      5.387475      4.154722
  H      -3.782984      5.133282      5.632018
  H      -5.393397      5.597105      4.017386
  H      -5.519432      3.856827      4.178980
  H      -3.987606      3.593387      2.158560
  H      -4.051254      5.357478      1.926608
  H      -5.500832      6.929262      2.216117
  H      -7.158966      8.641581      1.624093
  H     -10.529471      6.610940     -0.726709
  H     -10.976369      4.233381     -1.454673
  H      -9.350146      2.453538     -0.795044
  H      -7.119980      1.236625      6.903922
  H      -6.830040      1.980650      5.320323
  H      -6.178386      4.140472      6.720647
  H      -7.037548      3.347051      8.048928
  H      -8.718695      4.663777      7.058877
  H      -8.995117      3.087703      6.252786
  H      -9.200803      6.776441      4.428348
  H     -11.118672      6.940716      2.836062
  H     -12.109704      2.685121      1.427228
  H     -11.049248      0.421738      1.819565
  H      -9.060865      0.269255      3.326210
  N      -4.974224      1.445078      3.552127
  N      -5.656161      1.212533      2.640167
  H      -4.849273      1.066841      1.048863
101
Coordinates from ORCA-job orca E -6484.160259002252
  N      -2.883269     -0.162530      4.841924
  Mo     -3.785083      1.607412      5.056624
  N      -5.100636      1.764793      6.493181
  C      -4.604069      1.845472      7.873119
  C      -3.235374      1.187529      7.973713
  N      -2.390608      1.595136      6.818854
  C      -1.319631      0.606091      6.536870
  C      -1.914389     -0.605606      5.841423
  C      -1.835484      2.967774      6.957547
  C      -1.633594      3.530012      5.555225
  N      -2.884314      3.377663      4.798408
  H      -1.092685     -1.186997      5.385095
  H      -2.400241     -1.288448      6.568797
  H      -0.601835      1.090612      5.861249
  H      -0.787473      0.331161      7.463786
  H      -1.333738      4.588939      5.618808
  H      -0.810168      3.002406      5.044845
  H      -2.578429      3.579704      7.487360
  H      -0.905577      2.954262      7.553424
  H      -5.296066      1.328903      8.563693
  H      -4.553976      2.897089      8.212830
  H      -3.356760      0.097353      7.914683
  H      -2.734561      1.428512      8.927474
  C      -3.437456     -1.273077      4.070508
  C      -2.453158     -1.872070      3.056515
  C      -1.773526     -0.863834      2.157323
  O      -2.780765     -0.134492      1.398034
  C      -2.366999      0.561792      0.331974
  C      -1.071450      0.621639     -0.169972
  C      -0.816979      1.350113     -1.350478
  N      -1.726364      2.006187     -2.056390
  C      -2.995011      1.993151     -1.567754
  C      -4.016505      2.688150     -2.265505
  C      -5.302239      2.729585     -1.764165
  C      -5.589610      2.095462     -0.549944
  N      -4.642421      1.402635      0.083453
  C      -3.356290      1.311353     -0.369935
  C      -3.553308      4.669060      4.608032
  C      -4.855724      4.634777      3.813334
  C      -4.603025      4.448537      2.323829
  O      -5.812368      4.214268      1.568611
  C      -6.628864      5.253892      1.305325
  C      -6.407670      6.575427      1.666006
  C      -7.360251      7.556400      1.317707
  N      -8.478393      7.331711      0.647005
  C      -8.702094      6.040844      0.262002
  C      -9.866708      5.742121     -0.486169
  C     -10.102817      4.446036     -0.885025
  C      -9.173947      3.446009     -0.525084
  N      -8.072237      3.675828      0.174677
  C      -7.822903      4.953573      0.567057
  C      -6.534139      2.019725      6.377416
  C      -6.949027      3.388441      6.946525
  C      -8.260666      3.892363      6.375679
  O      -7.978401      4.531204      5.097842
  C      -9.042492      4.652573      4.253355
  C      -9.566808      5.897860      3.967888
  C     -10.655649      6.003823      3.074858
  N     -11.237916      4.977599      2.474281
  C     -10.709035      3.742972      2.715733
  C     -11.264435      2.612770      2.066792
  C     -10.701593      1.372783      2.273814
  C      -9.582455      1.263115      3.133078
  N      -9.044520      2.283410      3.782292
  C      -9.595058      3.513008      3.587820
  H      -3.777531     -2.084717      4.743642
  H      -4.321769     -0.924138      3.525868
  H      -1.649491     -2.427081      3.565555
  H      -2.995478     -2.609701      2.442882
  H      -1.097540     -1.373305      1.455201
  H      -1.203515     -0.123871      2.742641
  H      -0.253340      0.105712      0.326910
  H       0.205308      1.378043     -1.739044
  H      -3.747458      3.193064     -3.194385
  H      -6.100847      3.263684     -2.276822
  H      -6.564063      2.194454     -0.058548
  H      -2.845850      5.360163      4.106010
  H      -3.763184      5.122384      5.597295
  H      -5.391536      5.576629      3.996482
  H      -5.518946      3.837979      4.173979
  H      -3.999765      3.547779      2.153478
  H      -4.062780      5.308427      1.894454
  H      -5.519246      6.879119      2.215855
  H      -7.177897      8.592195      1.622298
  H     -10.551190      6.558074     -0.721974
  H     -10.989298      4.182496     -1.462488
  H      -9.348692      2.407203     -0.822564
  H      -7.109099      1.229344      6.899929
  H      -6.814226      1.975927      5.317769
  H      -6.170294      4.134505      6.717282
  H      -7.036275      3.345036      8.042980
  H      -8.719866      4.650742      7.030645
  H      -8.977515      3.070250      6.225308
  H      -9.149140      6.785766      4.443954
  H     -11.070042      6.992955      2.857857
  H     -12.123948      2.763033      1.411194
  H     -11.101000      0.480813      1.789151
  H      -9.112006      0.286682      3.290456
  N      -4.978354      1.409623      3.556425
  N      -5.670033      1.174762      2.653122
  H      -4.890880      1.019098      1.034289
101
Coordinates from ORCA-job orca E -6484.160555594653
  N      -2.900219     -0.168847      4.817769
  Mo     -3.786269      1.609678      5.032537
  N      -5.093500      1.773907      6.477050
  C      -4.591423      1.851022      7.854130
  C      -3.227946      1.183602      7.947988
  N      -2.385738      1.584507      6.789564
  C      -1.322528      0.588145      6.504468
  C      -1.929851     -0.618189      5.813044
  C      -1.822005      2.954174      6.925688
  C      -1.621280      3.519034      5.522982
  N      -2.874747      3.371605      4.768060
  H      -1.115171     -1.207021      5.353674
  H      -2.417369     -1.295919      6.543889
  H      -0.603056      1.067153      5.826700
  H      -0.789740      0.309365      7.429921
  H      -1.319928      4.577206      5.590284
  H      -0.798838      2.993033      5.009123
  H      -2.560047      3.569385      7.458612
  H      -0.890131      2.935327      7.518486
  H      -5.283745      1.337791      8.546989
  H      -4.534083      2.902030      8.195230
  H      -3.357527      0.094390      7.888845
  H      -2.721098      1.420115      8.899680
  C      -3.472641     -1.281374      4.061290
  C      -2.505553     -1.917905      3.050172
  C      -1.794362     -0.934016      2.149003
  O      -2.784045     -0.171572      1.400377
  C      -2.349136      0.570184      0.373542
  C      -1.038622      0.671702     -0.079322
  C      -0.759144      1.451204     -1.221254
  N      -1.656242      2.121343     -1.928919
  C      -2.940271      2.069261     -1.484076
  C      -3.948384      2.781214     -2.182837
  C      -5.249857      2.782486     -1.722360
  C      -5.568441      2.086648     -0.550106
  N      -4.630711      1.383128      0.087568
  C      -3.328344      1.332264     -0.328496
  C      -3.532200      4.667150      4.562590
  C      -4.840373      4.632766      3.775738
  C      -4.606025      4.445181      2.283410
  O      -5.825632      4.204635      1.545167
  C      -6.647678      5.240302      1.281450
  C      -6.420405      6.565292      1.624974
  C      -7.373147      7.544428      1.272501
  N      -8.495291      7.315369      0.610444
  C      -8.726635      6.020657      0.243273
  C      -9.897282      5.718220     -0.493934
  C     -10.142260      4.418564     -0.875255
  C      -9.216035      3.418664     -0.509307
  N      -8.108530      3.651264      0.180878
  C      -7.850276      4.933256      0.557056
  C      -6.526731      2.032368      6.371379
  C      -6.933275      3.405929      6.936724
  C      -8.246254      3.913186      6.373454
  O      -7.972984      4.548557      5.091946
  C      -9.042009      4.660437      4.253921
  C      -9.563074      5.904131      3.955141
  C     -10.662593      6.001921      3.074250
  N     -11.253503      4.969890      2.492138
  C     -10.724608      3.737149      2.742994
  C     -11.286383      2.601210      2.109773
  C     -10.723705      1.362640      2.325297
  C      -9.599186      1.260190      3.178238
  N      -9.054730      2.286191      3.812674
  C      -9.604229      3.514475      3.608514
  H      -3.824984     -2.075895      4.748029
  H      -4.353173     -0.925108      3.516153
  H      -1.718600     -2.494443      3.562596
  H      -3.066866     -2.643181      2.439999
  H      -1.145584     -1.467024      1.438233
  H      -1.191467     -0.217653      2.730054
  H      -0.227569      0.153275      0.426997
  H       0.275010      1.513785     -1.572568
  H      -3.656390      3.334908     -3.076303
  H      -6.036872      3.335786     -2.232935
  H      -6.555325      2.155166     -0.082568
  H      -2.821881      5.347655      4.050575
  H      -3.734782      5.132444      5.547935
  H      -5.373179      5.575584      3.961640
  H      -5.501778      3.837011      4.145412
  H      -4.002043      3.546481      2.106538
  H      -4.073501      5.306275      1.846184
  H      -5.526369      6.873538      2.163099
  H      -7.185095      8.583399      1.562362
  H     -10.579474      6.534458     -0.735350
  H     -11.035322      4.151730     -1.441080
  H      -9.397926      2.377329     -0.793340
  H      -7.098727      1.246767      6.904673
  H      -6.816740      1.980268      5.314579
  H      -6.152991      4.148280      6.700317
  H      -7.014392      3.366644      8.033782
  H      -8.695585      4.676974      7.029392
  H      -8.968183      3.094450      6.232319
  H      -9.136156      6.796878      4.413337
  H     -11.076390      6.989566      2.849084
  H     -12.149703      2.746498      1.458266
  H     -11.126618      0.466551      1.851276
  H      -9.129424      0.285084      3.342578
  N      -4.993185      1.409478      3.543898
  N      -5.695632      1.165324      2.651531
  H      -4.892099      0.998727      1.032943
101
Coordinates from ORCA-job orca E -6484.160604225885
  N      -2.886215     -0.159278      4.816720
  Mo     -3.773587      1.618742      5.032989
  N      -5.088858      1.781474      6.470883
  C      -4.595111      1.857826      7.850870
  C      -3.232946      1.190379      7.952353
  N      -2.384922      1.590525      6.798573
  C      -1.320603      0.593671      6.518043
  C      -1.923218     -0.609839      5.819170
  C      -1.820149      2.959717      6.938005
  C      -1.612473      3.527184      5.536726
  N      -2.862669      3.381566      4.775481
  H      -1.104142     -1.197481      5.365931
  H      -2.416808     -1.288572      6.544863
  H      -0.595014      1.074687      5.848294
  H      -0.795250      0.310461      7.446416
  H      -1.310776      4.585001      5.607336
  H      -0.787811      3.002603      5.024965
  H      -2.560264      3.574447      7.468714
  H      -0.891450      2.939942      7.535730
  H      -5.291605      1.344033      8.539153
  H      -4.540725      2.908556      8.193577
  H      -3.361693      0.101028      7.892745
  H      -2.731803      1.427015      8.907050
  C      -3.463256     -1.272260      4.064830
  C      -2.498647     -1.914237      3.052867
  C      -1.788576     -0.929160      2.151615
  O      -2.772240     -0.169646      1.392426
  C      -2.334866      0.547123      0.348496
  C      -1.032885      0.615518     -0.132814
  C      -0.760129      1.380070     -1.286967
  N      -1.655530      2.066763     -1.980992
  C      -2.931598      2.044349     -1.510219
  C      -3.938326      2.775788     -2.191229
  C      -5.231440      2.802001     -1.707702
  C      -5.541817      2.111069     -0.530877
  N      -4.605543      1.394385      0.093460
  C      -3.311286      1.321000     -0.344574
  C      -3.525317      4.675399      4.575689
  C      -4.830759      4.638528      3.783559
  C      -4.601711      4.458934      2.289481
  O      -5.827063      4.220584      1.559220
  C      -6.650515      5.256112      1.300069
  C      -6.427184      6.579293      1.652743
  C      -7.380223      7.558611      1.302316
  N      -8.498544      7.331856      0.633219
  C      -8.727336      6.038675      0.259362
  C      -9.896540      5.738140     -0.480721
  C     -10.140158      4.439845     -0.867486
  C      -9.212903      3.439358     -0.505954
  N      -8.106648      3.669717      0.187075
  C      -7.850972      4.950447      0.570874
  C      -6.523070      2.031169      6.361957
  C      -6.941749      3.403928      6.921988
  C      -8.255830      3.898816      6.350286
  O      -7.982617      4.537755      5.070355
  C      -9.054046      4.648604      4.235524
  C      -9.567312      5.892905      3.926151
  C     -10.673358      5.988490      3.052696
  N     -11.273508      4.954549      2.483501
  C     -10.749063      3.721280      2.740950
  C     -11.318006      2.583207      2.117964
  C     -10.759076      1.343976      2.339615
  C      -9.631654      1.242947      3.188579
  N      -9.080298      2.271293      3.813256
  C      -9.625699      3.500199      3.602605
  H      -3.814510     -2.064460      4.754615
  H      -4.344672     -0.915503      3.521864
  H      -1.710714     -2.487826      3.566948
  H      -3.059540     -2.641146      2.444756
  H      -1.131435     -1.461754      1.448926
  H      -1.194424     -0.207601      2.734088
  H      -0.219249      0.085132      0.356868
  H       0.268027      1.415206     -1.659020
  H      -3.649696      3.322192     -3.090265
  H      -6.017045      3.371542     -2.201362
  H      -6.522322      2.189009     -0.052284
  H      -2.817230      5.365648      4.074354
  H      -3.738040      5.129759      5.564255
  H      -5.367914      5.577871      3.974284
  H      -5.488768      3.838330      4.150742
  H      -3.999161      3.561263      2.102411
  H      -4.073019      5.323043      1.853567
  H      -5.536850      6.885773      2.197793
  H      -7.194562      8.596333      1.598077
  H     -10.579307      6.554914     -0.718710
  H     -11.034637      4.174115     -1.431606
  H      -9.393240      2.399442     -0.795760
  H      -7.089109      1.243376      6.898551
  H      -6.812206      1.971888      5.305176
  H      -6.165975      4.151656      6.687439
  H      -7.027170      3.367628      8.018762
  H      -8.716900      4.658132      7.003469
  H      -8.968033      3.072864      6.204735
  H      -9.130471      6.787705      4.370730
  H     -11.082535      6.976427      2.820476
  H     -12.182018      2.727336      1.467170
  H     -11.166413      0.446639      1.871776
  H      -9.163798      0.267840      3.357429
  N      -4.974121      1.416479      3.542805
  N      -5.674976      1.163148      2.652001
  H      -4.888597      1.013620      1.031523
101
Coordinates from ORCA-job orca E -6484.160684413088
  N      -2.883418     -0.178860      4.809496
  Mo     -3.773808      1.598437      5.021243
  N      -5.080231      1.767452      6.466140
  C      -4.577773      1.854041      7.842733
  C      -3.212615      1.191215      7.939603
  N      -2.373951      1.587327      6.777290
  C      -1.308483      0.591723      6.495449
  C      -1.911855     -0.619104      5.808256
  C      -1.812435      2.958857      6.904284
  C      -1.613076      3.514710      5.498122
  N      -2.866898      3.361200      4.744683
  H      -1.093394     -1.206291      5.353165
  H      -2.397933     -1.295280      6.541425
  H      -0.589031      1.070832      5.817762
  H      -0.775778      0.316126      7.421879
  H      -1.312244      4.573472      5.557930
  H      -0.790474      2.986717      4.986646
  H      -2.551663      3.575683      7.433808
  H      -0.880807      2.946060      7.497581
  H      -5.268671      1.343245      8.538830
  H      -4.523727      2.907144      8.178053
  H      -3.338334      0.101128      7.887472
  H      -2.705560      1.435370      8.889260
  C      -3.463902     -1.297730      4.069007
  C      -2.502919     -1.942077      3.055242
  C      -1.799463     -0.959502      2.146404
  O      -2.787288     -0.204079      1.388457
  C      -2.335285      0.563949      0.387862
  C      -1.021539      0.670450     -0.052835
  C      -0.727965      1.486213     -1.165920
  N      -1.613989      2.188724     -1.856296
  C      -2.902106      2.129494     -1.423228
  C      -3.900058      2.875935     -2.101515
  C      -5.205901      2.866760     -1.652826
  C      -5.537884      2.126386     -0.513104
  N      -4.609828      1.394695      0.106000
  C      -3.303404      1.353331     -0.299530
  C      -3.528334      4.653809      4.534834
  C      -4.839215      4.612357      3.752628
  C      -4.619031      4.421307      2.258633
  O      -5.847977      4.181708      1.536548
  C      -6.665130      5.219054      1.266291
  C      -6.434398      6.545244      1.602076
  C      -7.384231      7.524482      1.242625
  N      -8.507383      7.293784      0.582713
  C      -8.743446      5.996838      0.226710
  C      -9.917846      5.690922     -0.502911
  C     -10.165987      4.389017     -0.874677
  C      -9.237809      3.390661     -0.508994
  N      -8.127434      3.626008      0.175532
  C      -7.868716      4.909736      0.545561
  C      -6.514757      2.019212      6.362634
  C      -6.927420      3.395037      6.919443
  C      -8.241150      3.893763      6.349855
  O      -7.964692      4.526497      5.067445
  C      -9.038004      4.658661      4.237371
  C      -9.525625      5.913517      3.929356
  C     -10.632930      6.032813      3.060483
  N     -11.258483      5.011942      2.495426
  C     -10.760730      3.767522      2.752306
  C     -11.360588      2.641646      2.136374
  C     -10.831873      1.389791      2.360890
  C      -9.703856      1.263972      3.205700
  N      -9.123349      2.280834      3.823091
  C      -9.638698      3.522198      3.609386
  H      -3.809040     -2.086438      4.765937
  H      -4.349068     -0.946320      3.528597
  H      -1.711471     -2.511198      3.568442
  H      -3.065334     -2.672752      2.452992
  H      -1.146347     -1.493149      1.439633
  H      -1.201362     -0.236172      2.723169
  H      -0.215198      0.129180      0.436935
  H       0.309511      1.551264     -1.506701
  H      -3.594530      3.462996     -2.968757
  H      -5.985793      3.447179     -2.142510
  H      -6.530858      2.176519     -0.057103
  H      -2.822503      5.336676      4.020433
  H      -3.732356      5.119451      5.519903
  H      -5.374096      5.553694      3.940062
  H      -5.495605      3.816094      4.130335
  H      -4.020424      3.520314      2.073676
  H      -4.090880      5.281039      1.813603
  H      -5.540856      6.853976      2.140611
  H      -7.193129      8.564970      1.524899
  H     -10.599695      6.506780     -0.746535
  H     -11.063034      4.119323     -1.432789
  H      -9.419949      2.348638     -0.789983
  H      -7.080029      1.234704      6.904631
  H      -6.808214      1.956620      5.307246
  H      -6.149647      4.139093      6.680044
  H      -7.009384      3.362495      8.016552
  H      -8.697387      4.657222      7.001539
  H      -8.957407      3.070633      6.207666
  H      -9.067399      6.798751      4.371435
  H     -11.021639      7.029258      2.829709
  H     -12.224967      2.804477      1.490467
  H     -11.264509      0.500865      1.899756
  H      -9.262266      0.277549      3.379298
  N      -4.986798      1.385022      3.541891
  N      -5.690650      1.132602      2.653432
  H      -4.890928      0.979648      1.029688
101
Coordinates from ORCA-job orca E -6484.160637693652
  N      -2.887814     -0.163339      4.807828
  Mo     -3.776921      1.612529      5.031385
  N      -5.082634      1.772794      6.477427
  C      -4.579213      1.847737      7.854735
  C      -3.213031      1.184990      7.945056
  N      -2.375130      1.589537      6.784670
  C      -1.309275      0.597187      6.494399
  C      -1.913090     -0.608644      5.801015
  C      -1.813650      2.959996      6.921597
  C      -1.615912      3.526355      5.519872
  N      -2.870229      3.377432      4.766855
  H      -1.094811     -1.191686      5.339994
  H      -2.396383     -1.290279      6.530942
  H      -0.590748      1.082592      5.820320
  H      -0.775361      0.314181      7.417979
  H      -1.316369      4.585016      5.587609
  H      -0.793274      3.003682      5.003075
  H      -2.552450      3.572621      7.456622
  H      -0.881625      2.943363      7.514191
  H      -5.269461      1.329988      8.546432
  H      -4.526768      2.897669      8.199956
  H      -3.338132      0.095271      7.884929
  H      -2.705190      1.422105      8.896022
  C      -3.471714     -1.281377      4.069075
  C      -2.514478     -1.927204      3.050927
  C      -1.810180     -0.953466      2.133255
  O      -2.796895     -0.197831      1.374565
  C      -2.343849      0.565631      0.369499
  C      -1.030363      0.673563     -0.070287
  C      -0.740604      1.472061     -1.197490
  N      -1.629822      2.154839     -1.902497
  C      -2.918694      2.095576     -1.470245
  C      -3.920636      2.820091     -2.165088
  C      -5.227269      2.810160     -1.718330
  C      -5.554477      2.094836     -0.560860
  N      -4.621834      1.381512      0.074907
  C      -3.315478      1.338865     -0.332050
  C      -3.533077      4.670890      4.567425
  C      -4.843123      4.629398      3.785671
  C      -4.617006      4.443229      2.293801
  O      -5.842300      4.193377      1.569443
  C      -6.664101      5.224328      1.290389
  C      -6.441977      6.552430      1.623179
  C      -7.391596      7.526250      1.248639
  N      -8.508380      7.287808      0.580988
  C      -8.737812      5.987824      0.231237
  C      -9.906493      5.673098     -0.503959
  C     -10.146008      4.368311     -0.871433
  C      -9.214996      3.375491     -0.496789
  N      -8.110043      3.619133      0.193502
  C      -7.860901      4.905747      0.561340
  C      -6.517975      2.021034      6.374370
  C      -6.940009      3.390670      6.939495
  C      -8.252649      3.884831      6.364688
  O      -7.966894      4.532341      5.092162
  C      -9.031211      4.666280      4.251236
  C      -9.522574      5.921333      3.950651
  C     -10.621087      6.043245      3.070694
  N     -11.235195      5.024376      2.489804
  C     -10.733096      3.780110      2.740022
  C     -11.321150      2.656927      2.108172
  C     -10.788606      1.405752      2.326902
  C      -9.669316      1.277629      3.182693
  N      -9.099919      2.291469      3.815643
  C      -9.618965      3.532374      3.606802
  H      -3.808843     -2.071481      4.768398
  H      -4.362318     -0.932598      3.536262
  H      -1.721247     -2.494344      3.564371
  H      -3.079688     -2.659917      2.454280
  H      -1.166024     -1.497677      1.425999
  H      -1.204297     -0.229345      2.701325
  H      -0.220124      0.145553      0.427008
  H       0.296851      1.536191     -1.538611
  H      -3.616703      3.390835     -3.043741
  H      -6.009248      3.377738     -2.221364
  H      -6.547461      2.146991     -0.106702
  H      -2.829130      5.357878      4.056119
  H      -3.737909      5.130139      5.555266
  H      -5.383585      5.567276      3.975499
  H      -5.495708      3.828163      4.159305
  H      -4.011092      3.546498      2.111572
  H      -4.093276      5.307269      1.851949
  H      -5.555094      6.867089      2.169845
  H      -7.207049      8.568873      1.527565
  H     -10.589938      6.484857     -0.756566
  H     -11.037837      4.092633     -1.435225
  H      -9.388657      2.332047     -0.777979
  H      -7.080244      1.230611      6.910829
  H      -6.809643      1.962927      5.317964
  H      -6.164921      4.141077      6.711107
  H      -7.028704      3.348910      8.035686
  H      -8.721575      4.637538      7.020129
  H      -8.960424      3.057267      6.206473
  H      -9.075111      6.804495      4.407350
  H     -11.015272      7.039446      2.848255
  H     -12.180223      2.820940      1.455759
  H     -11.212118      0.519098      1.853139
  H      -9.226269      0.291960      3.354298
  N      -4.990037      1.405626      3.553405
  N      -5.693855      1.156612      2.663991
  H      -4.889027      0.971876      1.006341
101
Coordinates from ORCA-job orca E -6484.160738606592
  N      -2.884329     -0.169401      4.807321
  Mo     -3.774000      1.607215      5.024973
  N      -5.082093      1.770796      6.469023
  C      -4.580797      1.850364      7.846659
  C      -3.215384      1.187375      7.941723
  N      -2.375595      1.588452      6.781879
  C      -1.309683      0.594788      6.496109
  C      -1.911968     -0.612711      5.803804
  C      -1.814137      2.959269      6.915608
  C      -1.613857      3.522013      5.512373
  N      -2.866981      3.371573      4.757345
  H      -1.092450     -1.196500      5.345944
  H      -2.397025     -1.292941      6.533821
  H      -0.589514      1.077974      5.822210
  H      -0.777794      0.313888      7.421515
  H      -1.314175      4.580813      5.578004
  H      -0.790351      2.997795      4.998524
  H      -2.553788      3.573667      7.447421
  H      -0.883175      2.944009      7.509946
  H      -5.272422      1.335697      8.539223
  H      -4.527864      2.901629      8.187826
  H      -3.340520      0.097445      7.885040
  H      -2.709295      1.427695      8.892841
  C      -3.465387     -1.288066      4.067158
  C      -2.505729     -1.932494      3.051622
  C      -1.799325     -0.954281      2.140609
  O      -2.785889     -0.198770      1.381422
  C      -2.333899      0.562375      0.375254
  C      -1.021357      0.664947     -0.068703
  C      -0.730676      1.470063     -1.190805
  N      -1.617915      2.164521     -1.886975
  C      -2.905631      2.108891     -1.451297
  C      -3.905156      2.846085     -2.136661
  C      -5.210432      2.839679     -1.686594
  C      -5.539935      2.112034     -0.537493
  N      -4.609599      1.388391      0.089022
  C      -3.303718      1.344498     -0.318711
  C      -3.530062      4.664523      4.554508
  C      -4.839642      4.623054      3.770650
  C      -4.615901      4.434626      2.277878
  O      -5.843802      4.190172      1.555313
  C      -6.662274      5.224687      1.279212
  C      -6.434790      6.551839      1.612776
  C      -7.384428      7.528675      1.246139
  N      -8.504924      7.294469      0.583177
  C      -8.738689      5.996054      0.230816
  C      -9.911738      5.685927     -0.499346
  C     -10.157195      4.382421     -0.867199
  C      -9.227642      3.386485     -0.498010
  N      -8.118621      3.625779      0.187279
  C      -7.863175      4.911130      0.554872
  C      -6.516947      2.020189      6.365730
  C      -6.933972      3.393342      6.925939
  C      -8.248002      3.888868      6.354733
  O      -7.968917      4.526278      5.075418
  C      -9.039285      4.659155      4.241941
  C      -9.525445      5.914531      3.933817
  C     -10.629270      6.035368      3.060599
  N     -11.253045      5.015375      2.492013
  C     -10.756492      3.770442      2.749328
  C     -11.353459      2.645657      2.128701
  C     -10.825669      1.393412      2.353302
  C      -9.701334      1.266100      3.202625
  N      -9.123117      2.281894      3.824193
  C      -9.637813      3.523629      3.610384
  H      -3.805721     -2.077815      4.765282
  H      -4.353609     -0.938612      3.530581
  H      -1.714292     -2.500957      3.566058
  H      -3.068966     -2.663398      2.450652
  H      -1.148856     -1.493256      1.435454
  H      -1.199346     -0.230659      2.715189
  H      -0.212217      0.129191      0.422356
  H       0.306210      1.531246     -1.534202
  H      -3.600098      3.423062     -3.010841
  H      -5.991678      3.414007     -2.182263
  H      -6.532478      2.164804     -0.081105
  H      -2.824831      5.350772      4.043869
  H      -3.736439      5.125504      5.541260
  H      -5.377765      5.562615      3.958444
  H      -5.494590      3.824267      4.145541
  H      -4.013923      3.535767      2.093679
  H      -4.090036      5.296605      1.834547
  H      -5.544327      6.863236      2.155094
  H      -7.195630      8.570322      1.525765
  H     -10.594558      6.499902     -0.746465
  H     -11.053464      4.109639     -1.425156
  H      -9.407282      2.343556     -0.777208
  H      -7.080086      1.233107      6.906246
  H      -6.809846      1.958569      5.310066
  H      -6.157814      4.140387      6.690762
  H      -7.018201      3.356959      8.022752
  H      -8.709794      4.648064      7.007507
  H      -8.959943      3.063020      6.206932
  H      -9.069016      6.799135      4.378895
  H     -11.017433      7.032162      2.830418
  H     -12.214835      2.809406      1.479073
  H     -11.256003      0.505469      1.888149
  H      -9.260518      0.279527      3.376810
  N      -4.983837      1.397395      3.544841
  N      -5.687349      1.143357      2.656657
  H      -4.889957      0.977883      1.014952
101
Coordinates from ORCA-job orca E -6484.160746026964
  N      -2.882094     -0.171462      4.806234
  Mo     -3.773115      1.604463      5.023520
  N      -5.080542      1.767765      6.468238
  C      -4.578517      1.848575      7.845563
  C      -3.212271      1.187191      7.940341
  N      -2.373644      1.588524      6.779765
  C      -1.306974      0.595695      6.493710
  C      -1.908313     -0.612918      5.802251
  C      -1.813557      2.959987      6.912253
  C      -1.614521      3.521971      5.508544
  N      -2.867773      3.369726      4.754093
  H      -1.088168     -1.195615      5.344104
  H      -2.391901     -1.293615      6.532789
  H      -0.587470      1.079385      5.819493
  H      -0.774371      0.315385      7.418918
  H      -1.316147      4.581194      5.573463
  H      -0.790547      2.998554      4.994632
  H      -2.553580      3.574086      7.443896
  H      -0.882365      2.946131      7.506287
  H      -5.269323      1.333616      8.538720
  H      -4.526446      2.900081      8.186101
  H      -3.336056      0.097054      7.884637
  H      -2.705939      1.428921      8.890978
  C      -3.462677     -1.291039      4.067002
  C      -2.503439     -1.935199      3.051073
  C      -1.796949     -0.956400      2.140922
  O      -2.783386     -0.201811      1.380513
  C      -2.330595      0.564003      0.378378
  C      -1.017501      0.670312     -0.062871
  C      -0.726131      1.481690     -1.180415
  N      -1.612895      2.178973     -1.874208
  C      -2.901338      2.119428     -1.441002
  C      -3.900432      2.859668     -2.123684
  C      -5.206264      2.849597     -1.675472
  C      -5.537027      2.114772     -0.531329
  N      -4.606945      1.388298      0.092251
  C      -3.300281      1.348246     -0.313418
  C      -3.532310      4.661938      4.551069
  C      -4.841817      4.619269      3.767091
  C      -4.618722      4.429436      2.274363
  O      -5.847558      4.185433      1.553033
  C      -6.664590      5.220502      1.274799
  C      -6.435818      6.548016      1.606126
  C      -7.384365      7.525131      1.237227
  N      -8.504844      7.290828      0.574235
  C      -8.739902      5.992001      0.224282
  C      -9.913192      5.681478     -0.505386
  C     -10.159863      4.377413     -0.870403
  C      -9.231410      3.381329     -0.498927
  N      -8.122142      3.621069      0.185844
  C      -7.865563      4.906938      0.550629
  C      -6.515675      2.015785      6.365805
  C      -6.932706      3.389297      6.925091
  C      -8.246701      3.884908      6.353763
  O      -7.966901      4.520900      5.073874
  C      -9.036902      4.658110      4.240697
  C      -9.514071      5.916126      3.929100
  C     -10.617615      6.042628      3.056442
  N     -11.249181      5.025659      2.491049
  C     -10.761479      3.777888      2.751505
  C     -11.367196      2.655836      2.134429
  C     -10.848541      1.400311      2.362106
  C      -9.724758      1.266975      3.211201
  N      -9.138655      2.280199      3.829650
  C      -9.644180      3.525193      3.612693
  H      -3.801721     -2.080681      4.765842
  H      -4.351616     -0.942465      3.531009
  H      -1.711896     -2.503641      3.565389
  H      -3.066669     -2.665888      2.449849
  H      -1.144587     -1.494556      1.436980
  H      -1.199077     -0.232013      2.716714
  H      -0.207959      0.133150      0.425952
  H       0.311314      1.545744     -1.521651
  H      -3.594156      3.441822     -2.993995
  H      -5.987630      3.425788     -2.168623
  H      -6.530423      2.164318     -0.076141
  H      -2.827635      5.348736      4.040357
  H      -3.739188      5.123043      5.537660
  H      -5.380185      5.558978      3.953615
  H      -5.496688      3.820941      4.142947
  H      -4.017605      3.530102      2.089920
  H      -4.092726      5.290827      1.830112
  H      -5.545397      6.859435      2.148486
  H      -7.194473      8.567166      1.514670
  H     -10.595217      6.495565     -0.754315
  H     -11.056278      4.104263     -1.427935
  H      -9.412044      2.337999     -0.775985
  H      -7.077780      1.228953      6.907730
  H      -6.809173      1.952655      5.310415
  H      -6.156422      4.136044      6.689445
  H      -7.016766      3.353395      8.021933
  H      -8.707852      4.645063      7.005820
  H      -8.959050      3.059323      6.206660
  H      -9.050897      6.798666      4.371315
  H     -10.998343      7.041627      2.823449
  H     -12.227871      2.824127      1.485018
  H     -11.285799      0.514322      1.899693
  H      -9.291420      0.277519      3.388149
  N      -4.983395      1.392319      3.544790
  N      -5.686044      1.136700      2.656276
  H      -4.887203      0.971919      1.015154
101
Coordinates from ORCA-job orca E -6484.160751023760
  N      -2.881272     -0.173437      4.803863
  Mo     -3.772721      1.602202      5.020780
  N      -5.078623      1.765152      6.466933
  C      -4.575189      1.846440      7.843738
  C      -3.208174      1.186406      7.937229
  N      -2.371116      1.588175      6.775689
  C      -1.303957      0.596322      6.488521
  C      -1.904914     -0.613146      5.798214
  C      -1.812181      2.960111      6.907048
  C      -1.614648      3.521636      5.502907
  N      -2.868259      3.368096      4.749361
  H      -1.084620     -1.194558      5.338661
  H      -2.386151     -1.294596      6.529586
  H      -0.585570      1.080659      5.813605
  H      -0.770034      0.316358      7.413115
  H      -1.317444      4.581225      5.567447
  H      -0.790418      2.999086      4.988525
  H      -2.552329      3.573979      7.438784
  H      -0.880607      2.947377      7.500523
  H      -5.264878      1.330832      8.537514
  H      -4.523729      2.897996      8.184178
  H      -3.330876      0.096118      7.882221
  H      -2.701055      1.429139      8.887196
  C      -3.460982     -1.294597      4.066252
  C      -2.502112     -1.938004      3.049721
  C      -1.794821     -0.959025      2.140525
  O      -2.781342     -0.204665      1.379844
  C      -2.326501      0.568618      0.384498
  C      -1.011786      0.680245     -0.050234
  C      -0.717526      1.499927     -1.161146
  N      -1.602662      2.199904     -1.854046
  C      -2.893029      2.134643     -1.427121
  C      -3.890624      2.877180     -2.109413
  C      -5.198272      2.861309     -1.666879
  C      -5.532632      2.118475     -0.528933
  N      -4.603656      1.389473      0.093624
  C      -3.295058      1.355068     -0.306454
  C      -3.533472      4.659970      4.546394
  C      -4.842982      4.616403      3.762754
  C      -4.620493      4.423129      2.270447
  O      -5.850577      4.178574      1.551317
  C      -6.665271      5.214179      1.268607
  C      -6.433194      6.542684      1.593640
  C      -7.379647      7.520218      1.220318
  N      -8.501059      7.285292      0.559193
  C      -8.739638      5.985298      0.216006
  C      -9.914631      5.673753     -0.510517
  C     -10.164927      4.368310     -0.867965
  C      -9.238419      3.371919     -0.492456
  N      -8.127574      3.612656      0.189445
  C      -7.867595      4.899900      0.546961
  C      -6.514269      2.011064      6.366039
  C      -6.932287      3.384394      6.924976
  C      -8.246738      3.879067      6.353843
  O      -7.966795      4.513123      5.073058
  C      -9.036566      4.655956      4.240733
  C      -9.502069      5.917325      3.924713
  C     -10.604807      6.051357      3.052320
  N     -11.246217      5.038462      2.490650
  C     -10.770063      3.787106      2.755225
  C     -11.386204      2.668865      2.141556
  C     -10.879366      1.409218      2.373052
  C      -9.757059      1.267925      3.222771
  N      -9.161327      2.277537      3.837981
  C      -9.654992      3.526653      3.617079
  H      -3.797392     -2.084175      4.766443
  H      -4.351400     -0.947981      3.531446
  H      -1.710807     -2.506849      3.564058
  H      -3.065435     -2.668094      2.447884
  H      -1.141768     -1.496582      1.436745
  H      -1.197955     -0.234673      2.717490
  H      -0.202727      0.141452      0.437632
  H       0.321307      1.568206     -1.497390
  H      -3.581404      3.465320     -2.974638
  H      -5.979091      3.438423     -2.159831
  H      -6.528314      2.162848     -0.078016
  H      -2.828964      5.346485      4.035001
  H      -3.740074      5.121905      5.532629
  H      -5.381028      5.556815      3.946776
  H      -5.498270      3.819324      4.140440
  H      -4.020261      3.522985      2.087254
  H      -4.094276      5.283181      1.823953
  H      -5.541920      6.854546      2.134332
  H      -7.187063      8.563195      1.492331
  H     -10.595142      6.488049     -0.762854
  H     -11.062731      4.094277     -1.422827
  H      -9.422023      2.327588     -0.763656
  H      -7.074623      1.223892      6.909220
  H      -6.808410      1.946441      5.310944
  H      -6.156477      4.131541      6.689127
  H      -7.016085      3.348353      8.021837
  H      -8.707405      4.640305      7.004924
  H      -8.959014      3.053255      6.207980
  H      -9.030311      6.797009      4.363538
  H     -10.976039      7.053122      2.815967
  H     -12.245287      2.843161      1.491616
  H     -11.324931      0.525984      1.913315
  H      -9.333437      0.274876      3.403152
  N      -4.984470      1.387347      3.544515
  N      -5.687315      1.128536      2.657031
  H      -4.887470      0.966570      1.011975
101
Coordinates from ORCA-job orca E -6484.160753850430
  N      -2.881530     -0.173217      4.803342
  Mo     -3.772943      1.602158      5.020759
  N      -5.078615      1.763883      6.467171
  C      -4.574725      1.844703      7.843880
  C      -3.207269      1.185341      7.936825
  N      -2.370508      1.587980      6.775368
  C      -1.303338      0.596525      6.487371
  C      -1.904194     -0.612832      5.796781
  C      -1.811898      2.959920      6.907189
  C      -1.615064      3.522216      5.503252
  N      -2.868927      3.368890      4.750128
  H      -1.083820     -1.193345      5.336236
  H      -2.384442     -1.295090      6.528041
  H      -0.585154      1.081323      5.812591
  H      -0.769094      0.316026      7.411638
  H      -1.318107      4.581841      5.568306
  H      -0.790922      3.000161      4.988226
  H      -2.552047      3.573433      7.439343
  H      -0.880180      2.947185      7.500449
  H      -5.263999      1.328474      8.537591
  H      -4.523550      2.896148      8.184708
  H      -3.329286      0.094990      7.881566
  H      -2.700201      1.428150      8.886807
  C      -3.460210     -1.294476      4.065043
  C      -2.500780     -1.936760      3.048421
  C      -1.793383     -0.957078      2.140208
  O      -2.780102     -0.204524      1.378100
  C      -2.326179      0.570190      0.383541
  C      -1.011472      0.684649     -0.050498
  C      -0.718175      1.506082     -1.160425
  N      -1.604175      2.205305     -1.852875
  C      -2.894674      2.136958     -1.426742
  C      -3.893138      2.878513     -2.108720
  C      -5.200911      2.859762     -1.666889
  C      -5.534824      2.114486     -0.530326
  N      -4.604893      1.386324      0.091785
  C      -3.295912      1.355213     -0.307272
  C      -3.535298      4.660615      4.549900
  C      -4.844241      4.617425      3.765473
  C      -4.620538      4.424859      2.273273
  O      -5.850223      4.179805      1.553450
  C      -6.664803      5.215108      1.269314
  C      -6.433611      6.543871      1.594014
  C      -7.379534      7.520965      1.218097
  N      -8.499421      7.285455      0.554589
  C      -8.737196      5.985183      0.211894
  C      -9.910518      5.672869     -0.517040
  C     -10.160127      4.366988     -0.873348
  C      -9.234857      3.370878     -0.494120
  N      -8.125393      3.612448      0.189758
  C      -7.865863      4.900185      0.545814
  C      -6.514448      2.008798      6.366777
  C      -6.932700      3.381943      6.925957
  C      -8.246497      3.877096      6.353889
  O      -7.964838      4.508977      5.072475
  C      -9.033262      4.653518      4.238962
  C      -9.492120      5.916066      3.917738
  C     -10.593565      6.052516      3.044206
  N     -11.240071      5.040766      2.486232
  C     -10.770666      3.788014      2.756094
  C     -11.392538      2.670603      2.146686
  C     -10.892383      1.409207      2.383162
  C      -9.771142      1.265288      3.233883
  N      -9.170443      2.274141      3.845475
  C      -9.657271      3.525055      3.619382
  H      -3.795476     -2.084725      4.765008
  H      -4.351203     -0.948497      3.530773
  H      -1.709646     -2.505876      3.562702
  H      -3.063792     -2.666408      2.445730
  H      -1.138266     -1.493736      1.437791
  H      -1.198900     -0.231587      2.718194
  H      -0.201341      0.147055      0.436814
  H       0.320767      1.576666     -1.495868
  H      -3.584129      3.468225     -2.972951
  H      -5.982507      3.436226     -2.159343
  H      -6.530811      2.156912     -0.079785
  H      -2.831143      5.348822      4.040245
  H      -3.742752      5.120391      5.536973
  H      -5.382591      5.557765      3.949172
  H      -5.499798      3.820132      4.142185
  H      -4.019683      3.525199      2.090035
  H      -4.094564      5.285358      1.827409
  H      -5.543542      6.856254      2.136416
  H      -7.187681      8.564173      1.489758
  H     -10.590441      6.486857     -0.771934
  H     -11.056650      4.092317     -1.429965
  H      -9.418385      2.326118     -0.763710
  H      -7.074232      1.221314      6.910038
  H      -6.808480      1.943978      5.311649
  H      -6.156507      4.128976      6.691027
  H      -7.017424      3.345298      8.022730
  H      -8.706662      4.639703      7.003697
  H      -8.959375      3.051723      6.208567
  H      -9.016111      6.794983      4.353510
  H     -10.959366      7.055282      2.803681
  H     -12.250570      2.846805      1.495866
  H     -11.342502      0.526566      1.926735
  H      -9.352860      0.270693      3.418337
  N      -4.983765      1.387398      3.544295
  N      -5.685550      1.127396      2.656219
  H      -4.887877      0.961189      1.009456
101
Coordinates from ORCA-job orca E -6484.160754793311
  N      -2.883012     -0.171875      4.804794
  Mo     -3.773864      1.603398      5.022377
  N      -5.078493      1.764840      6.469569
  C      -4.573724      1.845429      7.845973
  C      -3.205960      1.186466      7.937919
  N      -2.369847      1.589284      6.775999
  C      -1.302961      0.597821      6.487215
  C      -1.904628     -0.611545      5.797222
  C      -1.811263      2.961194      6.907572
  C      -1.615440      3.523594      5.503527
  N      -2.869744      3.370387      4.751151
  H      -1.084921     -1.192229      5.335770
  H      -2.384143     -1.293707      6.529050
  H      -0.585313      1.082534      5.811797
  H      -0.767969      0.317319      7.411054
  H      -1.318397      4.583194      5.568469
  H      -0.791688      3.001486      4.987931
  H      -2.551071      3.574681      7.440237
  H      -0.879133      2.948485      7.500187
  H      -5.262327      1.328659      8.539938
  H      -4.522717      2.896791      8.187069
  H      -3.327770      0.096100      7.882680
  H      -2.698417      1.429328      8.887642
  C      -3.461496     -1.292886      4.065987
  C      -2.502390     -1.934459      3.048556
  C      -1.794869     -0.954086      2.141159
  O      -2.780995     -0.201353      1.378438
  C      -2.327469      0.570852      0.381663
  C      -1.013148      0.683921     -0.054034
  C      -0.720848      1.502598     -1.166254
  N      -1.607422      2.200511     -1.859285
  C      -2.897432      2.133762     -1.431437
  C      -3.896313      2.874482     -2.113622
  C      -5.203476      2.857528     -1.669838
  C      -5.536383      2.114890     -0.531299
  N      -4.606119      1.387366      0.091104
  C      -3.297721      1.354615     -0.309758
  C      -3.536783      4.662027      4.552297
  C      -4.845119      4.619139      3.766999
  C      -4.620123      4.424491      2.275198
  O      -5.849468      4.180513      1.554460
  C      -6.661858      5.216889      1.268065
  C      -6.428054      6.545863      1.590023
  C      -7.371591      7.524153      1.211191
  N      -8.491538      7.289626      0.547418
  C      -8.732197      5.989016      0.207973
  C      -9.905950      5.677426     -0.520579
  C     -10.158676      4.371045     -0.872960
  C      -9.236138      3.373743     -0.490199
  N      -8.126269      3.614739      0.193245
  C      -7.863606      4.902905      0.545294
  C      -6.514907      2.007025      6.369789
  C      -6.936005      3.378597      6.930784
  C      -8.250361      3.872337      6.358879
  O      -7.968752      4.506166      5.078454
  C      -9.035580      4.649999      4.242979
  C      -9.494621      5.912557      3.921802
  C     -10.594246      6.049172      3.046092
  N     -11.238717      5.037508      2.485562
  C     -10.769010      3.784868      2.755242
  C     -11.388378      2.667746      2.142732
  C     -10.887646      1.406493      2.378511
  C      -9.768388      1.262359      3.231848
  N      -9.170156      2.270841      3.846425
  C      -9.657487      3.521703      3.620944
  H      -3.796121     -2.083701      4.765620
  H      -4.352957     -0.946775      3.532600
  H      -1.711433     -2.504650      3.561917
  H      -3.065915     -2.663249      2.445309
  H      -1.138720     -1.490062      1.439301
  H      -1.201453     -0.228350      2.719922
  H      -0.202595      0.147346      0.433645
  H       0.317703      1.571877     -1.503178
  H      -3.588130      3.462189     -2.979509
  H      -5.985117      3.433918     -2.162333
  H      -6.531568      2.159115     -0.079320
  H      -2.832715      5.351054      4.043635
  H      -3.744758      5.120716      5.539781
  H      -5.382755      5.560252      3.948919
  H      -5.501828      3.822898      4.143994
  H      -4.020404      3.523694      2.093770
  H      -4.092312      5.283627      1.828892
  H      -5.537666      6.857572      2.132324
  H      -7.177680      8.567538      1.480718
  H     -10.583844      6.492252     -0.778188
  H     -11.055660      4.096896     -1.429108
  H      -9.422416      2.328533     -0.756165
  H      -7.073041      1.217771      6.912149
  H      -6.808757      1.942649      5.314576
  H      -6.161100      4.127499      6.697515
  H      -7.021318      3.339832      8.027439
  H      -8.711635      4.633771      7.009305
  H      -8.962108      3.046225      6.212471
  H      -9.020301      6.791329      4.359693
  H     -10.960296      7.051904      2.805828
  H     -12.244930      2.844109      1.489997
  H     -11.335763      0.524119      1.919609
  H      -9.349727      0.267878      3.415881
  N      -4.984841      1.388645      3.546284
  N      -5.685357      1.128522      2.657204
  H      -4.887996      0.961828      1.008873
101
Coordinates from ORCA-job orca E -6484.160757319930
  N      -2.883413     -0.172697      4.804045
  Mo     -3.774052      1.602664      5.021000
  N      -5.078153      1.763856      6.468563
  C      -4.573077      1.844711      7.844791
  C      -3.205271      1.185921      7.936385
  N      -2.369418      1.588667      6.774243
  C      -1.302538      0.597245      6.485446
  C      -1.904541     -0.612251      5.796034
  C      -1.810984      2.960676      6.905463
  C      -1.615557      3.522940      5.501216
  N      -2.870133      3.369759      4.749290
  H      -1.085330     -1.193255      5.334146
  H      -2.383703     -1.294132      6.528361
  H      -0.585285      1.081662      5.809377
  H      -0.767122      0.317311      7.409193
  H      -1.318249      4.582478      5.565909
  H      -0.792103      3.000525      4.985465
  H      -2.550756      3.574107      7.438247
  H      -0.878650      2.948171      7.497753
  H      -5.261306      1.327898      8.539085
  H      -4.522109      2.896136      8.185680
  H      -3.327100      0.095567      7.881193
  H      -2.697520      1.428827      8.885984
  C      -3.461165     -1.294124      4.065251
  C      -2.501407     -1.935508      3.048192
  C      -1.794096     -0.955076      2.140663
  O      -2.780744     -0.202504      1.378580
  C      -2.326538      0.572765      0.384427
  C      -1.011256      0.687966     -0.047933
  C      -0.717080      1.508832     -1.157911
  N      -1.602982      2.206735     -1.851966
  C      -2.893879      2.137889     -1.427359
  C      -3.892077      2.878245     -2.111028
  C      -5.200377      2.858963     -1.670541
  C      -5.535019      2.114805     -0.533548
  N      -4.605456      1.387408      0.090126
  C      -3.296063      1.356663     -0.307708
  C      -3.537556      4.661307      4.551205
  C      -4.846305      4.618128      3.766711
  C      -4.621927      4.423477      2.274790
  O      -5.851134      4.177922      1.554473
  C      -6.664657      5.213446      1.268126
  C      -6.431664      6.542760      1.589226
  C      -7.375861      7.520253      1.210087
  N      -8.495567      7.284745      0.546285
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  C      -9.908831      5.671254     -0.521107
  C     -10.161053      4.364508     -0.872534
  C      -9.238466      3.367784     -0.488378
  N      -8.128915      3.609667      0.195251
  C      -7.866499      4.898259      0.545996
  C      -6.514592      2.006298      6.368932
  C      -6.935469      3.377463      6.931128
  C      -8.249003      3.872727      6.358749
  O      -7.966313      4.506309      5.078438
  C      -9.032874      4.652287      4.243082
  C      -9.488697      5.915839      3.921036
  C     -10.588063      6.054712      3.045399
  N     -11.235184      5.044300      2.485603
  C     -10.768568      3.790690      2.755965
  C     -11.390698      2.674762      2.144033
  C     -10.893119      1.412422      2.380482
  C      -9.774152      1.266000      3.233868
  N      -9.173440      2.273289      3.847878
  C      -9.657660      3.525233      3.621768
  H      -3.795858     -2.084863      4.764963
  H      -4.352540     -0.948496      3.531437
  H      -1.710693     -2.505976      3.561546
  H      -3.064793     -2.664224      2.444697
  H      -1.138555     -1.490705      1.437770
  H      -1.199958     -0.229583      2.719069
  H      -0.201863      0.150997      0.441350
  H       0.322122      1.579930     -1.492409
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  H      -5.981308      3.435037     -2.164572
  H      -6.531264      2.156877     -0.083982
  H      -2.834010      5.350734      4.042388
  H      -3.745079      5.119545      5.538997
  H      -5.383922      5.559152      3.949005
  H      -5.502578      3.821658      4.144050
  H      -4.021175      3.523292      2.093658
  H      -4.095109      5.282997      1.828005
  H      -5.541252      6.855362      2.130959
  H      -7.182659      8.563864      1.479236
  H     -10.586902      6.485643     -0.779645
  H     -11.057763      4.089613     -1.428756
  H      -9.424652      2.322200     -0.752906
  H      -7.072954      1.216520      6.910286
  H      -6.808211      1.943114      5.313606
  H      -6.159975      4.126193      6.699274
  H      -7.021731      3.337565      8.027669
  H      -8.709293      4.634876      7.009059
  H      -8.961893      3.047629      6.212242
  H      -9.011844      6.793621      4.358166
  H     -10.951612      7.058197      2.804498
  H     -12.246680      2.852973      1.491056
  H     -11.343299      0.530907      1.921953
  H      -9.357849      0.270620      3.418208
  N      -4.985754      1.387093      3.545081
  N      -5.686348      1.125890      2.656514
  H      -4.889612      0.961832      1.007101
101
Coordinates from ORCA-job orca E -6484.160757935960
  N      -2.884196     -0.172603      4.803896
  Mo     -3.774202      1.603066      5.020957
  N      -5.078050      1.764563      6.468648
  C      -4.572792      1.845690      7.844786
  C      -3.205205      1.186475      7.936329
  N      -2.369397      1.588679      6.773964
  C      -1.302994      0.596706      6.485210
  C      -1.905607     -0.612575      5.795961
  C      -1.810325      2.960480      6.904879
  C      -1.614903      3.522393      5.500501
  N      -2.869742      3.369802      4.748930
  H      -1.086738     -1.194096      5.334129
  H      -2.385153     -1.294071      6.528405
  H      -0.585621      1.080667      5.808931
  H      -0.767597      0.316775      7.408954
  H      -1.316784      4.581729      5.564803
  H      -0.791968      2.999220      4.984686
  H      -2.549756      3.574249      7.437747
  H      -0.877870      2.947680      7.496970
  H      -5.261025      1.329293      8.539391
  H      -4.521478      2.897200      8.185353
  H      -3.327427      0.096152      7.881323
  H      -2.697254      1.429353      8.885825
  C      -3.462601     -1.293803      4.065260
  C      -2.503135     -1.935917      3.048326
  C      -1.795895     -0.956006      2.140211
  O      -2.782528     -0.203364      1.378292
  C      -2.328243      0.572409      0.384555
  C      -1.012909      0.687992     -0.047681
  C      -0.718512      1.509516     -1.157017
  N      -1.604348      2.208052     -1.850618
  C      -2.895205      2.138990     -1.426073
  C      -3.893256      2.880272     -2.109024
  C      -5.201589      2.861007     -1.668596
  C      -5.536364      2.115771     -0.532383
  N      -4.607055      1.387543      0.090625
  C      -3.297638      1.356877     -0.307122
  C      -3.536818      4.661555      4.551144
  C      -4.845707      4.618912      3.766821
  C      -4.621611      4.423921      2.274926
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  C      -6.935329      3.378387      6.931004
  C      -8.248681      3.873550      6.358149
  O      -7.965950      4.506231      5.077379
  C      -9.032568      4.650777      4.241819
  C      -9.489261      5.913660      3.918426
  C     -10.588724      6.050762      3.042615
  N     -11.235210      5.039267      2.484032
  C     -10.767686      3.786283      2.755690
  C     -11.389182      2.669188      2.145217
  C     -10.890662      1.407480      2.383053
  C      -9.771323      1.262861      3.236276
  N      -9.171209      2.271305      3.848964
  C      -9.656457      3.522618      3.621603
  H      -3.797832     -2.084247      4.765048
  H      -4.353697     -0.947824      3.531244
  H      -1.712556     -2.506597      3.561591
  H      -3.066978     -2.664569      2.445153
  H      -1.140916     -1.492151      1.437172
  H      -1.201011     -0.230629      2.718007
  H      -0.203790      0.150638      0.441614
  H       0.320697      1.580895     -1.491397
  H      -3.584044      3.470402     -2.972887
  H      -5.982249      3.437862     -2.162110
  H      -6.532650      2.157503     -0.082770
  H      -2.833242      5.351037      4.042461
  H      -3.744226      5.119481      5.539109
  H      -5.382676      5.560298      3.949241
  H      -5.502354      3.822852      4.144368
  H      -4.021278      3.523424      2.093985
  H      -4.094440      5.283109      1.827915
  H      -5.540417      6.856018      2.131868
  H      -7.180922      8.565202      1.479715
  H     -10.584480      6.488640     -0.781588
  H     -11.055977      4.092890     -1.431323
  H      -9.424310      2.324618     -0.754052
  H      -7.072747      1.217383      6.910809
  H      -6.808364      1.943712      5.313965
  H      -6.159767      4.127023      6.699037
  H      -7.021838      3.338925      8.027540
  H      -8.708799      4.636257      7.007924
  H      -8.961777      3.048534      6.212249
  H      -9.013012      6.792218      4.354655
  H     -10.953066      7.053710      2.800671
  H     -12.245489      2.846038      1.492305
  H     -11.340406      0.525081      1.925796
  H      -9.354289      0.267976      3.421745
  N      -4.986194      1.387984      3.544875
  N      -5.686753      1.126910      2.656281
  H      -4.891196      0.962368      1.007899
101
Coordinates from ORCA-job orca E -6484.160758658887
  N      -2.884448     -0.172715      4.804015
  Mo     -3.774477      1.602824      5.021195
  N      -5.078149      1.764211      6.468968
  C      -4.572701      1.845565      7.845039
  C      -3.204995      1.186526      7.936486
  N      -2.369398      1.588635      6.773918
  C      -1.303084      0.596553      6.485092
  C      -1.905852     -0.612748      5.796026
  C      -1.810264      2.960436      6.904631
  C      -1.615138      3.522167      5.500160
  N      -2.870154      3.369666      4.748912
  H      -1.087068     -1.194344      5.334141
  H      -2.385407     -1.294158      6.528540
  H      -0.585793      1.080428      5.808666
  H      -0.767563      0.316714      7.408787
  H      -1.316741      4.581448      5.564177
  H      -0.792456      2.998711      4.984233
  H      -2.549565      3.574223      7.437664
  H      -0.877670      2.947683      7.496506
  H      -5.260739      1.329185      8.539858
  H      -4.521509      2.897123      8.185473
  H      -3.327090      0.096177      7.881660
  H      -2.696955      1.429587      8.885883
  C      -3.462783     -1.293658      4.064978
  C      -2.503005     -1.935277      3.047973
  C      -1.795830     -0.954835      2.140381
  O      -2.782279     -0.202376      1.378118
  C      -2.327955      0.573109      0.384156
  C      -1.012701      0.688597     -0.048365
  C      -0.718414      1.509943     -1.157813
  N      -1.604336      2.208588     -1.851271
  C      -2.895084      2.139661     -1.426444
  C      -3.893228      2.881093     -2.109141
  C      -5.201536      2.861893     -1.668560
  C      -5.536176      2.116361     -0.532545
  N      -4.606782      1.388181      0.090377
  C      -3.297381      1.357575     -0.307457
  C      -3.537759      4.661251      4.551917
  C      -4.846514      4.618570      3.767300
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  C      -6.664354      5.214266      1.268345
  C      -6.430862      6.543486      1.589371
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  C      -9.906092      5.673739     -0.524726
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  C      -9.237854      3.369719     -0.489773
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  C      -6.514632      2.006458      6.369742
  C      -6.935607      3.377659      6.931846
  C      -8.248695      3.873284      6.358791
  O      -7.965541      4.505796      5.078023
  C      -9.031794      4.650508      4.242024
  C      -9.487328      5.913536      3.917515
  C     -10.586453      6.050872      3.041321
  N     -11.233699      5.039491      2.483418
  C     -10.767310      3.786332      2.756165
  C     -11.389698      2.669284      2.146503
  C     -10.892279      1.407350      2.385392
  C      -9.773140      1.262465      3.238833
  N      -9.172226      2.270879      3.850793
  C      -9.656432      3.522412      3.622445
  H      -3.798143     -2.084396      4.764370
  H      -4.353762     -0.947517      3.530882
  H      -1.712362     -2.505954      3.561126
  H      -3.066602     -2.663862      2.444482
  H      -1.140292     -1.490698      1.437640
  H      -1.201413     -0.229402      2.718560
  H      -0.203642      0.151229      0.441022
  H       0.320718      1.581264     -1.492427
  H      -3.584163      3.471360     -2.972964
  H      -5.982170      3.438940     -2.161850
  H      -6.532372      2.157862     -0.082701
  H      -2.834488      5.351491      4.043873
  H      -3.745692      5.118324      5.540179
  H      -5.383282      5.560089      3.949637
  H      -5.503352      3.822674      4.144882
  H      -4.022153      3.522708      2.094644
  H      -4.094921      5.282411      1.828395
  H      -5.540713      6.855680      2.131772
  H      -7.180486      8.565025      1.478302
  H     -10.583033      6.488630     -0.784671
  H     -11.055011      4.092707     -1.433484
  H      -9.424709      2.324102     -0.753679
  H      -7.072624      1.216566      6.911323
  H      -6.808740      1.943256      5.314560
  H      -6.159923      4.126328      6.700371
  H      -7.022513      3.337915      8.028342
  H      -8.708426      4.636278      7.008508
  H      -8.962232      3.048657      6.212934
  H      -9.010390      6.792011      4.353150
  H     -10.949852      7.053937      2.798434
  H     -12.245783      2.846384      1.493363
  H     -11.342719      0.524960      1.928802
  H      -9.356952      0.267383      3.425099
  N      -4.986136      1.387865      3.544652
  N      -5.685640      1.126767      2.655265
  H      -4.890633      0.962931      1.007745
101
Coordinates from ORCA-job orca E -6484.160758728171
  N      -2.884770     -0.172616      4.803996
  Mo     -3.774706      1.602843      5.021459
  N      -5.077924      1.764146      6.469548
  C      -4.572097      1.845709      7.845479
  C      -3.204285      1.186831      7.936605
  N      -2.369090      1.588760      6.773666
  C      -1.302941      0.596523      6.484627
  C      -1.906039     -0.612752      5.795837
  C      -1.809781      2.960532      6.904064
  C      -1.615088      3.522020      5.499433
  N      -2.870408      3.369725      4.748706
  H      -1.087440     -1.194488      5.333804
  H      -2.385542     -1.294037      6.528493
  H      -0.585790      1.080286      5.807979
  H      -0.767199      0.316730      7.408208
  H      -1.316300      4.581219      5.563086
  H      -0.792791      2.998186      4.983280
  H      -2.548836      3.574409      7.437339
  H      -0.876978      2.947771      7.495616
  H      -5.259839      1.329315      8.540585
  H      -4.521003      2.897305      8.185800
  H      -3.326308      0.096461      7.882046
  H      -2.695953      1.430109      8.885784
  C      -3.463113     -1.293448      4.064786
  C      -2.503374     -1.934830      3.047569
  C      -1.796187     -0.954329      2.140047
  O      -2.782532     -0.201919      1.377606
  C      -2.327998      0.573833      0.383927
  C      -1.012690      0.689486     -0.048383
  C      -0.718270      1.511166     -1.157529
  N      -1.604112      2.210032     -1.850892
  C      -2.894913      2.140954     -1.426277
  C      -3.892994      2.882628     -2.108804
  C      -5.201397      2.863246     -1.668450
  C      -5.536171      2.117237     -0.532796
  N      -4.606798      1.388876      0.090012
  C      -3.297334      1.358468     -0.307636
  C      -3.538494      4.661233      4.552859
  C      -4.847151      4.618736      3.768035
  C      -4.622898      4.422958      2.276320
  O      -5.852155      4.178002      1.556068
  C      -6.664416      5.214080      1.268128
  C      -6.430363      6.543439      1.588130
  C      -7.372791      7.521638      1.206450
  N      -8.491560      7.286774      0.540796
  C      -8.732543      5.985680      0.203394
  C      -9.904726      5.673766     -0.527449
  C     -10.158321      4.366855     -0.877331
  C      -9.238337      3.369262     -0.489162
  N      -8.129818      3.610591      0.196313
  C      -7.865759      4.899368      0.544986
  C      -6.514567      2.005647      6.370791
  C      -6.936132      3.376586      6.933114
  C      -8.249108      3.872154      6.359760
  O      -7.965617      4.504345      5.078905
  C      -9.031438      4.649353      4.242417
  C      -9.485265      5.912656      3.916539
  C     -10.583801      6.050564      3.039714
  N     -11.231987      5.039495      2.482344
  C     -10.767257      3.786013      2.756413
  C     -11.390638      2.669225      2.147281
  C     -10.894809      1.406897      2.387376
  C      -9.776267      1.261367      3.241479
  N      -9.174470      2.269548      3.852974
  C      -9.657143      3.521477      3.623490
  H      -3.798392     -2.084349      4.764024
  H      -4.354130     -0.947298      3.530770
  H      -1.712652     -2.505493      3.560629
  H      -3.066961     -2.663393      2.444045
  H      -1.140521     -1.490307      1.437498
  H      -1.201805     -0.228894      2.718262
  H      -0.203799      0.151883      0.441031
  H       0.320879      1.582626     -1.492055
  H      -3.583871      3.473264     -2.972356
  H      -5.981924      3.440475     -2.161713
  H      -6.532380      2.158366     -0.082902
  H      -2.835469      5.352195      4.045470
  H      -3.746840      5.117408      5.541454
  H      -5.383516      5.560549      3.950122
  H      -5.504329      3.823232      4.145826
  H      -4.023052      3.522049      2.095874
  H      -4.095251      5.281684      1.828963
  H      -5.540386      6.855618      2.130821
  H      -7.178782      8.565305      1.474791
  H     -10.580877      6.488866     -0.788804
  H     -11.054203      4.092542     -1.435161
  H      -9.425947      2.323424     -0.751651
  H      -7.071889      1.215383      6.912515
  H      -6.809009      1.942342      5.315711
  H      -6.160567      4.125543      6.702156
  H      -7.023487      3.336570      8.029568
  H      -8.708677      4.635431      7.009261
  H      -8.962815      3.047669      6.214054
  H      -9.007423      6.790912      4.351624
  H     -10.945805      7.053860      2.795700
  H     -12.246163      2.846867      1.493553
  H     -11.346024      0.524675      1.931225
  H      -9.361336      0.265935      3.428703
  N      -4.986373      1.387999      3.544714
  N      -5.684771      1.126584      2.654588
  H      -4.890657      0.963474      1.007296
