100
Coordinates from ORCA-job orca E -6483.422778884434
  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      -5.388073      3.030738      1.863236
100
Coordinates from ORCA-job orca E -6483.488550643451
  N      -2.900038      0.523746      4.646916
  Mo     -3.554202      2.359557      4.826184
  N      -4.881174      2.009540      6.199202
  C      -4.420755      1.798707      7.568547
  C      -3.007566      1.216575      7.567526
  N      -2.168313      1.956931      6.607819
  C      -1.062572      1.125929      6.108143
  C      -1.620940      0.062699      5.139013
  C      -1.644992      3.202753      7.196479
  C      -1.687693      4.258972      6.085699
  N      -2.997285      4.158195      5.476919
  H      -0.898342     -0.089835      4.321501
  H      -1.740314     -0.904602      5.655609
  H      -0.370246      1.781845      5.570428
  H      -0.522991      0.649102      6.939910
  H      -1.495331      5.257717      6.498533
  H      -0.906367      4.046935      5.338090
  H      -2.308714      3.525356      8.005232
  H      -0.633622      3.061870      7.600226
  H      -5.086882      1.099730      8.098538
  H      -4.440148      2.749538      8.128969
  H      -3.066143      0.172051      7.246147
  H      -2.568436      1.246567      8.575241
  C      -3.866303     -0.523431      4.407812
  C      -3.477840     -1.438510      3.225685
  C      -3.388673     -0.674381      1.910089
  O      -4.718212     -0.297853      1.507802
  C      -4.822533      0.120902      0.197410
  C      -5.579487     -0.616565     -0.695478
  C      -5.699479     -0.165143     -2.017947
  N      -5.126216      0.928617     -2.485107
  C      -4.386324      1.672357     -1.627660
  C      -3.774728      2.864677     -2.078702
  C      -3.047939      3.623371     -1.182078
  C      -2.938430      3.189354      0.146273
  N      -3.482062      2.074829      0.602685
  C      -4.201149      1.315793     -0.256833
  C      -3.894374      5.250072      5.807512
  C      -4.967528      5.457579      4.736087
  C      -4.363984      5.884778      3.391009
  O      -5.092922      5.338272      2.301706
  C      -6.331412      5.764406      1.969690
  C      -6.924077      6.958674      2.341686
  C      -8.171973      7.285537      1.795105
  N      -8.821974      6.548980      0.914849
  C      -8.270689      5.366830      0.551177
  C      -8.919889      4.557219     -0.411834
  C      -8.366427      3.335898     -0.735372
  C      -7.216100      2.914471     -0.059144
  N      -6.556054      3.644748      0.818720
  C      -7.045592      4.889089      1.099554
  C      -6.321144      1.932426      6.113992
  C      -7.072000      3.101382      6.803853
  C      -8.295545      3.513153      5.995145
  O      -7.864895      4.022745      4.723848
  C      -8.802254      3.858225      3.724375
  C      -9.791682      4.802937      3.508666
  C     -10.719827      4.585974      2.486808
  N     -10.729058      3.514064      1.711569
  C      -9.780190      2.570689      1.919090
  C      -9.774216      1.402210      1.130426
  C      -8.805965      0.439974      1.364960
  C      -7.837761      0.676497      2.342344
  N      -7.797094      1.766322      3.101876
  C      -8.762377      2.700870      2.911915
  H      -3.985047     -1.159774      5.307179
  H      -4.834845     -0.057368      4.183297
  H      -2.504608     -1.899266      3.420249
  H      -4.228091     -2.229549      3.122945
  H      -2.952146     -1.311658      1.127333
  H      -2.770183      0.227291      2.024758
  H      -6.068605     -1.525993     -0.367411
  H      -6.288064     -0.729585     -2.737044
  H      -3.903155      3.156365     -3.114335
  H      -2.571469      4.546965     -1.490341
  H      -2.380878      3.764723      0.888722
  H      -3.324588      6.188667      5.909136
  H      -4.398428      5.058581      6.773991
  H      -5.696748      6.200122      5.074908
  H      -5.492620      4.504951      4.585034
  H      -3.364547      5.440575      3.259495
  H      -4.281068      6.976924      3.306551
  H      -6.444295      7.650282      3.021826
  H      -8.656552      8.218088      2.074209
  H      -9.835947      4.916245     -0.863162
  H      -8.820180      2.685328     -1.473671
  H      -6.803340      1.921137     -0.231161
  H      -6.675675      0.984017      6.558935
  H      -6.602457      1.933408      5.056776
  H      -6.405170      3.966289      6.874068
  H      -7.399390      2.826272      7.810712
  H      -8.868881      4.296755      6.513435
  H      -8.952798      2.645182      5.838621
  H      -9.835330      5.696169      4.120271
  H     -11.497331      5.316728      2.283552
  H     -10.535813      1.280931      0.369735
  H      -8.780527     -0.476129      0.786680
  H      -7.035827     -0.038965      2.522885
  N      -4.616625      2.746726      3.073516
  N      -5.294848      3.002089      1.931864
100
Coordinates from ORCA-job orca E -6483.547129051662
  N      -2.929642      0.502206      4.631934
  Mo     -3.567306      2.357462      4.818953
  N      -4.904443      2.028036      6.192603
  C      -4.441385      1.813218      7.565337
  C      -3.038028      1.211158      7.566912
  N      -2.185624      1.940028      6.604792
  C      -1.087267      1.093263      6.103543
  C      -1.652320      0.035308      5.132027
  C      -1.643948      3.182775      7.192817
  C      -1.670147      4.235963      6.079923
  N      -2.983478      4.159422      5.467623
  H      -0.924486     -0.120820      4.317593
  H      -1.780757     -0.933918      5.647071
  H      -0.387073      1.744919      5.566735
  H      -0.551822      0.610685      6.937551
  H      -1.461634      5.234584      6.490983
  H      -0.888866      4.008516      5.334662
  H      -2.303888      3.516111      8.002575
  H      -0.632985      3.025853      7.598695
  H      -5.117776      1.123200      8.097418
  H      -4.447167      2.766717      8.125831
  H      -3.110069      0.165518      7.246560
  H      -2.597798      1.236568      8.576839
  C      -3.901465     -0.545410      4.380144
  C      -3.503523     -1.458879      3.196326
  C      -3.394636     -0.700902      1.878759
  O      -4.719726     -0.318293      1.452120
  C      -4.809012      0.101508      0.145173
  C      -5.563024     -0.631024     -0.754699
  C      -5.675723     -0.175177     -2.082748
  N      -5.097868      0.922329     -2.549400
  C      -4.358691      1.663190     -1.679548
  C      -3.742728      2.861563     -2.120221
  C      -3.022255      3.619255     -1.215267
  C      -2.917312      3.177771      0.117751
  N      -3.462235      2.056435      0.562183
  C      -4.180172      1.299470     -0.305697
  C      -3.863819      5.271666      5.795530
  C      -4.938082      5.515071      4.732164
  C      -4.344122      5.943347      3.382642
  O      -5.108649      5.419381      2.308137
  C      -6.339275      5.845826      1.993794
  C      -6.938306      7.041497      2.360348
  C      -8.197767      7.351653      1.817135
  N      -8.851737      6.597662      0.944507
  C      -8.285272      5.410543      0.592293
  C      -8.929415      4.574858     -0.355412
  C      -8.364165      3.351147     -0.662318
  C      -7.200641      2.949577      0.014499
  N      -6.544026      3.701989      0.878193
  C      -7.049378      4.950834      1.141045
  C      -6.350197      1.967681      6.110869
  C      -7.098238      3.142230      6.799488
  C      -8.323739      3.544819      5.992098
  O      -7.896870      4.044569      4.712762
  C      -8.830215      3.852834      3.722453
  C      -9.834739      4.771374      3.476993
  C     -10.757943      4.506477      2.450812
  N     -10.742925      3.412229      1.700139
  C      -9.769576      2.493308      1.940755
  C      -9.723405      1.302810      1.181348
  C      -8.733149      0.373286      1.449124
  C      -7.774735      0.660205      2.435764
  N      -7.771375      1.769982      3.166189
  C      -8.760789      2.672900      2.939478
  H      -4.029184     -1.182815      5.278736
  H      -4.868108     -0.076062      4.150563
  H      -2.530499     -1.922672      3.402073
  H      -4.256121     -2.251178      3.085791
  H      -2.949368     -1.342844      1.102334
  H      -2.774169      0.199120      2.000402
  H      -6.058635     -1.542449     -0.430018
  H      -6.265226     -0.741832     -2.805161
  H      -3.866617      3.159620     -3.158378
  H      -2.546318      4.549300     -1.518184
  H      -2.366901      3.756795      0.872485
  H      -3.272257      6.199053      5.899991
  H      -4.369906      5.085909      6.763579
  H      -5.646324      6.273865      5.087197
  H      -5.490789      4.575200      4.574163
  H      -3.355067      5.479283      3.218169
  H      -4.239894      7.037149      3.308758
  H      -6.455609      7.745069      3.032190
  H      -8.687695      8.286976      2.092985
  H      -9.855371      4.916822     -0.808289
  H      -8.819516      2.681089     -1.388456
  H      -6.771203      1.953703     -0.142610
  H      -6.708084      1.021346      6.560783
  H      -6.634689      1.966014      5.052066
  H      -6.428324      4.008674      6.866689
  H      -7.426415      2.872322      7.810957
  H      -8.903512      4.330591      6.503726
  H      -8.976085      2.669336      5.844466
  H      -9.898179      5.683783      4.063964
  H     -11.549395      5.221235      2.225613
  H     -10.474119      1.144072      0.411585
  H      -8.676810     -0.558375      0.891246
  H      -6.953059     -0.032328      2.639176
  N      -4.599202      2.747212      3.097174
  N      -5.214045      2.989095      2.027547
100
Coordinates from ORCA-job orca E -6483.588665879309
  N      -2.914814      0.478342      4.628912
  Mo     -3.555248      2.345901      4.814707
  N      -4.900150      2.030152      6.185904
  C      -4.435782      1.821621      7.562867
  C      -3.035326      1.215330      7.572156
  N      -2.177316      1.938177      6.606109
  C      -1.077309      1.085729      6.108818
  C      -1.636421      0.021399      5.139780
  C      -1.633481      3.186918      7.187126
  C      -1.654847      4.232956      6.067490
  N      -2.969180      4.160269      5.451990
  H      -0.901613     -0.135712      4.330259
  H      -1.763833     -0.947481      5.658554
  H      -0.376181      1.737624      5.571025
  H      -0.542159      0.607985      6.947524
  H      -1.443521      5.234855      6.472999
  H      -0.870670      3.998054      5.326379
  H      -2.294713      3.526008      7.994810
  H      -0.622692      3.028334      7.597070
  H      -5.116364      1.136722      8.098387
  H      -4.438761      2.779322      8.118860
  H      -3.107716      0.167075      7.256975
  H      -2.596551      1.245333      8.584239
  C      -3.883160     -0.575715      4.370929
  C      -3.479561     -1.492318      3.191946
  C      -3.361667     -0.739818      1.874894
  O      -4.685209     -0.352736      1.435848
  C      -4.759277      0.069333      0.133004
  C      -5.514084     -0.652102     -0.774971
  C      -5.616805     -0.188906     -2.104464
  N      -5.029574      0.908030     -2.566838
  C      -4.287998      1.638846     -1.685428
  C      -3.663382      2.838494     -2.114633
  C      -2.945384      3.589333     -1.202102
  C      -2.846292      3.138396      0.131845
  N      -3.396196      2.013826      0.564701
  C      -4.116548      1.266024     -0.311253
  C      -3.849666      5.277975      5.772621
  C      -4.930524      5.527294      4.718004
  C      -4.357294      5.960308      3.362544
  O      -5.142701      5.440183      2.299366
  C      -6.379059      5.846704      2.000631
  C      -7.007309      7.027270      2.371300
  C      -8.280089      7.303445      1.830467
  N      -8.919700      6.535831      0.954246
  C      -8.317917      5.361267      0.602120
  C      -8.935781      4.502848     -0.343615
  C      -8.337161      3.292818     -0.642370
  C      -7.161448      2.924789      0.041629
  N      -6.527390      3.699090      0.902731
  C      -7.070046      4.933308      1.152128
  C      -6.347655      1.975574      6.099054
  C      -7.091725      3.152847      6.787475
  C      -8.324146      3.567118      5.996892
  O      -7.928145      4.086232      4.709809
  C      -8.889157      3.901972      3.747901
  C      -9.910391      4.812462      3.554892
  C     -10.871592      4.555145      2.556559
  N     -10.874077      3.477681      1.780984
  C      -9.875347      2.568080      1.964586
  C      -9.833380      1.400166      1.168030
  C      -8.816307      0.484733      1.368141
  C      -7.823267      0.760940      2.330748
  N      -7.817102      1.847121      3.095395
  C      -8.832095      2.737524      2.931931
  H      -4.014708     -1.209235      5.272260
  H      -4.850037     -0.108444      4.136053
  H      -2.505838     -1.956502      3.403591
  H      -4.232071     -2.287599      3.080995
  H      -2.911580     -1.383508      1.101444
  H      -2.741201      0.160068      1.999960
  H      -6.020511     -1.562186     -0.456456
  H      -6.209407     -0.751621     -2.830587
  H      -3.782292      3.144409     -3.153281
  H      -2.466330      4.522472     -1.498039
  H      -2.300971      3.716552      0.895367
  H      -3.253408      6.204316      5.875820
  H      -4.354317      5.094857      6.742842
  H      -5.632486      6.288326      5.084930
  H      -5.490322      4.589677      4.562000
  H      -3.370824      5.497234      3.172361
  H      -4.254879      7.056175      3.293174
  H      -6.538498      7.743120      3.043671
  H      -8.791772      8.228044      2.111501
  H      -9.872262      4.816867     -0.800269
  H      -8.776093      2.604588     -1.365652
  H      -6.703949      1.937274     -0.108022
  H      -6.708421      1.030728      6.552060
  H      -6.630296      1.969708      5.038861
  H      -6.416985      4.017847      6.856517
  H      -7.416937      2.879212      7.801101
  H      -8.893925      4.350029      6.525896
  H      -8.982203      2.694096      5.851607
  H      -9.961504      5.716600      4.159540
  H     -11.678399      5.269020      2.377791
  H     -10.608303      1.252436      0.417193
  H      -8.760509     -0.427919      0.775783
  H      -6.976700      0.078384      2.474250
  N      -4.566766      2.720287      3.111626
  N      -5.120561      2.938805      2.111490
100
Coordinates from ORCA-job orca E -6483.613446032047
  N      -2.939278      0.462504      4.633768
  Mo     -3.563688      2.345447      4.839611
  N      -4.923315      2.042732      6.203076
  C      -4.463114      1.825647      7.582343
  C      -3.072828      1.199603      7.595909
  N      -2.200606      1.914189      6.634385
  C      -1.107300      1.050904      6.135291
  C      -1.667307     -0.002353      5.155360
  C      -1.644083      3.159904      7.218078
  C      -1.646059      4.207128      6.096987
  N      -2.958991      4.161877      5.470862
  H      -0.923658     -0.158401      4.352331
  H      -1.804326     -0.975774      5.665632
  H      -0.397785      1.701959      5.605666
  H      -0.578762      0.564970      6.974863
  H      -1.419962      5.207200      6.502444
  H      -0.858859      3.958052      5.362835
  H      -2.304653      3.505511      8.024562
  H      -0.636697      2.985767      7.633416
  H      -5.154866      1.147610      8.114241
  H      -4.456290      2.782316      8.142115
  H      -3.155494      0.152620      7.276314
  H      -2.637243      1.220575      8.610909
  C      -3.903832     -0.591426      4.350925
  C      -3.490813     -1.500637      3.168006
  C      -3.361814     -0.750914      1.850926
  O      -4.690046     -0.371808      1.407595
  C      -4.792086      0.054541      0.110331
  C      -5.563250     -0.671011     -0.780994
  C      -5.711248     -0.203961     -2.105539
  N      -5.155795      0.903888     -2.581828
  C      -4.399182      1.640084     -1.715703
  C      -3.810882      2.854490     -2.155251
  C      -3.082884      3.616320     -1.261042
  C      -2.931607      3.159044      0.066975
  N      -3.441965      2.018353      0.508198
  C      -4.178090      1.262967     -0.348641
  C      -3.828334      5.294943      5.777650
  C      -4.902408      5.572275      4.717308
  C      -4.326757      6.010341      3.362129
  O      -5.127154      5.524422      2.286367
  C      -6.357194      5.955749      1.990073
  C      -6.967134      7.142987      2.370385
  C      -8.238422      7.441948      1.832133
  N      -8.896896      6.693705      0.952496
  C      -8.313234      5.509505      0.593307
  C      -8.946991      4.658285     -0.348631
  C      -8.369665      3.438200     -0.647210
  C      -7.189581      3.054536      0.029356
  N      -6.543685      3.820862      0.887133
  C      -7.070758      5.058141      1.136007
  C      -6.372803      1.999753      6.113844
  C      -7.119433      3.178369      6.797988
  C      -8.350311      3.566915      5.997590
  O      -7.931187      4.057913      4.705896
  C      -8.852841      3.829906      3.719266
  C      -9.869206      4.718920      3.433971
  C     -10.777598      4.404074      2.399261
  N     -10.732770      3.294390      1.672002
  C      -9.735229      2.404916      1.949384
  C      -9.631810      1.205892      1.204748
  C      -8.621192      0.312587      1.502119
  C      -7.688080      0.640131      2.511288
  N      -7.734954      1.758442      3.224089
  C      -8.747505      2.627937      2.962209
  H      -4.042022     -1.229681      5.248440
  H      -4.870591     -0.124273      4.112825
  H      -2.517510     -1.965932      3.386867
  H      -4.241333     -2.298963      3.049253
  H      -2.905972     -1.394516      1.079968
  H      -2.745471      0.151739      1.976965
  H      -6.050658     -1.589555     -0.452244
  H      -6.319173     -0.775292     -2.814364
  H      -3.969091      3.164455     -3.189023
  H      -2.635244      4.563834     -1.565686
  H      -2.381768      3.751253      0.818116
  H      -3.215742      6.211247      5.889314
  H      -4.343810      5.119819      6.744534
  H      -5.588358      6.344608      5.093929
  H      -5.485750      4.648779      4.550707
  H      -3.350961      5.530006      3.158627
  H      -4.203529      7.106071      3.307088
  H      -6.484718      7.846814      3.048409
  H      -8.732151      8.374774      2.124086
  H      -9.884209      4.984362     -0.799330
  H      -8.830841      2.752021     -1.361644
  H      -6.741865      2.059428     -0.121913
  H      -6.735191      1.055193      6.568155
  H      -6.654483      1.990915      5.052432
  H      -6.447271      4.047443      6.864082
  H      -7.448316      2.913967      7.814502
  H      -8.938952      4.351991      6.503617
  H      -8.995184      2.682002      5.859391
  H      -9.955691      5.653423      3.988694
  H     -11.578426      5.105257      2.148286
  H     -10.354367      1.022258      0.409259
  H      -8.519291     -0.623255      0.950711
  H      -6.846051     -0.027955      2.729594
  N      -4.546239      2.734592      3.147392
  N      -5.063502      2.957650      2.159846
100
Coordinates from ORCA-job orca E -6483.632226580739
  N      -2.878376      0.434050      4.666197
  Mo     -3.521251      2.321220      4.864944
  N      -4.896290      2.027583      6.215693
  C      -4.442435      1.827056      7.601285
  C      -3.049564      1.208491      7.632938
  N      -2.172666      1.918907      6.670324
  C      -1.069023      1.057918      6.185194
  C      -1.607669     -0.009549      5.208473
  C      -1.630438      3.181217      7.238714
  C      -1.630844      4.214442      6.101864
  N      -2.938600      4.159147      5.464001
  H      -0.850345     -0.164490      4.417168
  H      -1.738475     -0.981523      5.724815
  H      -0.361446      1.712965      5.657096
  H      -0.541170      0.586351      7.033957
  H      -1.412475      5.222012      6.495007
  H      -0.833834      3.959335      5.380229
  H      -2.300100      3.530745      8.036347
  H      -0.625315      3.018243      7.665337
  H      -5.135621      1.151515      8.135677
  H      -4.444729      2.789449      8.152024
  H      -3.120089      0.157621      7.321825
  H      -2.622304      1.241984      8.651808
  C      -3.825327     -0.631734      4.372002
  C      -3.403350     -1.539227      3.193833
  C      -3.273083     -0.789347      1.879165
  O      -4.606559     -0.411013      1.442867
  C      -4.732406      0.026074      0.153908
  C      -5.539528     -0.681396     -0.720208
  C      -5.726954     -0.200446     -2.034204
  N      -5.179980      0.906791     -2.519423
  C      -4.387377      1.625189     -1.670186
  C      -3.808998      2.841067     -2.115790
  C      -3.049403      3.591140     -1.239965
  C      -2.850686      3.116962      0.075689
  N      -3.345261      1.970933      0.521095
  C      -4.119339      1.232126     -0.315691
  C      -3.823658      5.286369      5.744479
  C      -4.904095      5.538124      4.681656
  C      -4.350341      5.977326      3.318377
  O      -5.153191      5.487769      2.237861
  C      -6.395758      5.901036      1.957399
  C      -7.032691      7.061123      2.373097
  C      -8.313864      7.344959      1.844789
  N      -8.959241      6.616063      0.940614
  C      -8.347951      5.456424      0.546141
  C      -8.957199      4.613054     -0.418451
  C      -8.352518      3.413580     -0.741225
  C      -7.163707      3.041521     -0.066997
  N      -6.543329      3.806548      0.808929
  C      -7.099236      5.016554      1.077304
  C      -6.345301      1.978965      6.111968
  C      -7.095418      3.155691      6.790892
  C      -8.339877      3.549196      6.012590
  O      -7.961367      4.067475      4.714450
  C      -8.917250      3.872758      3.752811
  C      -9.942269      4.772851      3.550270
  C     -10.900368      4.505003      2.546448
  N     -10.892553      3.435353      1.764457
  C      -9.877729      2.540851      1.946385
  C      -9.797528      1.395006      1.119433
  C      -8.765039      0.500116      1.304570
  C      -7.787936      0.771594      2.289482
  N      -7.814358      1.836521      3.079199
  C      -8.845069      2.710119      2.924957
  H      -3.965590     -1.266095      5.272119
  H      -4.794919     -0.173771      4.127326
  H      -2.428538     -2.002140      3.414816
  H      -4.149223     -2.342905      3.074994
  H      -2.815789     -1.429067      1.105862
  H      -2.661055      0.116248      2.005462
  H      -6.027698     -1.597504     -0.384383
  H      -6.365247     -0.761696     -2.724865
  H      -4.003746      3.163729     -3.139936
  H      -2.612740      4.542857     -1.548678
  H      -2.280834      3.706123      0.813010
  H      -3.220779      6.210745      5.850167
  H      -4.342637      5.120095      6.711430
  H      -5.596222      6.304343      5.060709
  H      -5.480455      4.609239      4.525329
  H      -3.371086      5.509711      3.104396
  H      -4.243943      7.075128      3.261511
  H      -6.564845      7.754736      3.072593
  H      -8.825097      8.258035      2.169285
  H      -9.902230      4.926429     -0.863747
  H      -8.800821      2.731324     -1.468256
  H      -6.692605      2.060059     -0.236296
  H      -6.705192      1.034552      6.570080
  H      -6.620626      1.961018      5.049509
  H      -6.423293      4.025620      6.859090
  H      -7.417806      2.888805      7.809738
  H      -8.917000      4.326329      6.543592
  H      -8.990992      2.668157      5.876238
  H      -9.999543      5.685014      4.145769
  H     -11.709104      5.220431      2.369658
  H     -10.551249      1.260929      0.342218
  H      -8.675480     -0.392060      0.682414
  H      -6.926228      0.103645      2.410163
  N      -4.482242      2.681613      3.175903
  N      -4.980514      2.897002      2.164881
100
Coordinates from ORCA-job orca E -6483.645677862264
  N      -2.875847      0.412876      4.687447
  Mo     -3.520646      2.305373      4.905986
  N      -4.903863      2.027109      6.251024
  C      -4.451515      1.833978      7.638446
  C      -3.062036      1.208331      7.674322
  N      -2.179408      1.909205      6.708577
  C      -1.077773      1.043625      6.224047
  C      -1.609258     -0.024703      5.243607
  C      -1.635581      3.179237      7.262323
  C      -1.626733      4.200440      6.113852
  N      -2.930595      4.155583      5.468212
  H      -0.841700     -0.178245      4.461270
  H      -1.739831     -0.998714      5.757350
  H      -0.369166      1.700258      5.699073
  H      -0.549456      0.575507      7.074581
  H      -1.399548      5.210710      6.496287
  H      -0.826454      3.930853      5.401217
  H      -2.306127      3.536378      8.055788
  H      -0.632796      3.015179      7.694198
  H      -5.148989      1.165467      8.176716
  H      -4.450379      2.798980      8.184452
  H      -3.133396      0.156544      7.366096
  H      -2.635755      1.244075      8.693727
  C      -3.810651     -0.653630      4.364002
  C      -3.380425     -1.540158      3.174345
  C      -3.247751     -0.777656      1.866064
  O      -4.583607     -0.399860      1.429932
  C      -4.730065      0.048608      0.149430
  C      -5.581333     -0.634980     -0.702207
  C      -5.810613     -0.139095     -2.003426
  N      -5.267758      0.964548     -2.499243
  C      -4.432154      1.660476     -1.672429
  C      -3.860392      2.875977     -2.125495
  C      -3.063523      3.610329     -1.271034
  C      -2.813319      3.115423      0.027902
  N      -3.293304      1.965062      0.476828
  C      -4.114158      1.248619     -0.334251
  C      -3.809371      5.291904      5.724637
  C      -4.888078      5.535323      4.657849
  C      -4.338586      5.961942      3.290178
  O      -5.148061      5.482550      2.204807
  C      -6.387900      5.907705      1.930145
  C      -7.015954      7.067874      2.357289
  C      -8.295655      7.366085      1.831309
  N      -8.950695      6.655141      0.920857
  C      -8.350939      5.492453      0.515837
  C      -8.967344      4.653968     -0.449664
  C      -8.375313      3.449185     -0.776138
  C      -7.185856      3.065157     -0.107756
  N      -6.564544      3.828517      0.769920
  C      -7.107782      5.037989      1.041570
  C      -6.351483      1.982947      6.133669
  C      -7.099412      3.167301      6.797279
  C      -8.346345      3.550669      6.020529
  O      -7.970968      4.055012      4.714056
  C      -8.918690      3.841205      3.750682
  C      -9.941484      4.737448      3.524509
  C     -10.892645      4.454728      2.517263
  N     -10.879179      3.376994      1.749315
  C      -9.861388      2.488931      1.948395
  C      -9.764768      1.341455      1.125033
  C      -8.728105      0.455742      1.321166
  C      -7.764040      0.735369      2.318282
  N      -7.806952      1.799942      3.104526
  C      -8.838987      2.668119      2.935301
  H      -3.955065     -1.299774      5.255302
  H      -4.782240     -0.198256      4.121346
  H      -2.405014     -2.004224      3.392609
  H      -4.120281     -2.347597      3.044540
  H      -2.788573     -1.408940      1.087483
  H      -2.640760      0.130386      1.998330
  H      -6.074409     -1.544754     -0.356569
  H      -6.484437     -0.686113     -2.671645
  H      -4.094423      3.213308     -3.136653
  H      -2.636347      4.565228     -1.582710
  H      -2.221756      3.699750      0.750444
  H      -3.200269      6.213417      5.823338
  H      -4.335342      5.146759      6.691592
  H      -5.573205      6.308737      5.035728
  H      -5.474786      4.613013      4.512489
  H      -3.366456      5.483088      3.072505
  H      -4.222961      7.058366      3.227950
  H      -6.542495      7.751083      3.063034
  H      -8.795786      8.281210      2.168075
  H      -9.912358      4.974238     -0.890936
  H      -8.836701      2.771114     -1.497916
  H      -6.720060      2.082316     -0.280594
  H      -6.717328      1.042677      6.596045
  H      -6.617957      1.954765      5.068893
  H      -6.426174      4.036963      6.859065
  H      -7.421971      2.913012      7.819696
  H      -8.924046      4.331878      6.544646
  H      -8.997330      2.668251      5.892978
  H     -10.001437      5.661518      4.100927
  H     -11.698398      5.170555      2.327440
  H     -10.505407      1.205966      0.334766
  H      -8.622017     -0.434953      0.699620
  H      -6.899424      0.073050      2.445659
  N      -4.476390      2.654722      3.235286
  N      -4.957490      2.866316      2.215370
100
Coordinates from ORCA-job orca E -6483.655798182032
  N      -2.859249      0.395480      4.705712
  Mo     -3.515914      2.288104      4.941125
  N      -4.910067      2.019971      6.275218
  C      -4.464436      1.834925      7.665160
  C      -3.075337      1.209042      7.709180
  N      -2.186720      1.904636      6.744502
  C      -1.081396      1.040266      6.265305
  C      -1.598091     -0.030983      5.281371
  C      -1.649410      3.183907      7.285301
  C      -1.629617      4.192122      6.126550
  N      -2.925483      4.152494      5.466095
  H      -0.816906     -0.183215      4.511688
  H      -1.727192     -1.006094      5.794733
  H      -0.372125      1.700781      5.745975
  H      -0.553755      0.577523      7.119381
  H      -1.398755      5.205044      6.500980
  H      -0.821472      3.912489      5.426461
  H      -2.326263      3.545395      8.071409
  H      -0.650195      3.024084      7.727350
  H      -5.164983      1.170162      8.204665
  H      -4.465736      2.801934      8.207305
  H      -3.141767      0.156465      7.402147
  H      -2.653904      1.247917      8.730657
  C      -3.773033     -0.679476      4.356417
  C      -3.325247     -1.543007      3.159377
  C      -3.206069     -0.766090      1.859948
  O      -4.553325     -0.414332      1.432689
  C      -4.730618      0.044551      0.164313
  C      -5.614717     -0.628683     -0.662372
  C      -5.891951     -0.122506     -1.949756
  N      -5.368844      0.985335     -2.455524
  C      -4.502558      1.672320     -1.652656
  C      -3.955268      2.895190     -2.114208
  C      -3.131712      3.624707     -1.283521
  C      -2.826038      3.114145     -0.002019
  N      -3.277214      1.956076      0.452973
  C      -4.130570      1.247703     -0.332378
  C      -3.800389      5.295609      5.701917
  C      -4.875114      5.531230      4.631179
  C      -4.319864      5.956559      3.268808
  O      -5.124279      5.482719      2.173785
  C      -6.360952      5.914785      1.906664
  C      -6.979782      7.072272      2.354141
  C      -8.258833      7.388843      1.837806
  N      -8.925561      6.699001      0.921105
  C      -8.339207      5.535910      0.496505
  C      -8.971081      4.712503     -0.471932
  C      -8.397114      3.504229     -0.815913
  C      -7.205444      3.099058     -0.165361
  N      -6.571337      3.850501      0.715587
  C      -7.096883      5.062595      1.007053
  C      -6.355658      1.976806      6.139272
  C      -7.105084      3.164757      6.791224
  C      -8.354621      3.537917      6.016747
  O      -7.979880      4.035999      4.707174
  C      -8.920944      3.815319      3.741528
  C      -9.939023      4.713131      3.499711
  C     -10.883905      4.427182      2.486955
  N     -10.867024      3.346027      1.724483
  C      -9.848935      2.459752      1.933910
  C      -9.740200      1.315062      1.107464
  C      -8.700191      0.434389      1.308201
  C      -7.748349      0.713034      2.318848
  N      -7.805702      1.772096      3.109807
  C      -8.836799      2.639083      2.930890
  H      -3.914519     -1.337798      5.239462
  H      -4.751781     -0.237747      4.115398
  H      -2.342832     -1.994728      3.373879
  H      -4.048120     -2.364087      3.019977
  H      -2.738863     -1.381017      1.073583
  H      -2.618872      0.153689      1.996354
  H      -6.097522     -1.539822     -0.306278
  H      -6.590759     -0.665848     -2.595034
  H      -4.230982      3.241597     -3.111712
  H      -2.723270      4.586239     -1.599305
  H      -2.213505      3.697712      0.699463
  H      -3.188773      6.215980      5.798301
  H      -4.334374      5.166654      6.667426
  H      -5.560842      6.305435      5.007411
  H      -5.465927      4.612183      4.489630
  H      -3.349755      5.475561      3.059509
  H      -4.200936      7.052434      3.205978
  H      -6.499215      7.741294      3.068388
  H      -8.747175      8.303468      2.193457
  H      -9.917605      5.045684     -0.900808
  H      -8.877206      2.838355     -1.536287
  H      -6.754365      2.115045     -0.353211
  H      -6.727289      1.038557      6.601477
  H      -6.610108      1.942006      5.071373
  H      -6.433156      4.035573      6.850312
  H      -7.426926      2.919305      7.816439
  H      -8.935077      4.319612      6.536805
  H      -9.003666      2.653749      5.892744
  H      -9.999068      5.643228      4.066090
  H     -11.685491      5.146198      2.290347
  H     -10.470375      1.183650      0.306556
  H      -8.580560     -0.451386      0.682288
  H      -6.882080      0.053330      2.450148
  N      -4.464430      2.622842      3.279607
  N      -4.922006      2.828745      2.249117
100
Coordinates from ORCA-job orca E -6483.663548468502
  N      -2.851892      0.388002      4.728727
  Mo     -3.520680      2.275250      4.985975
  N      -4.919561      2.014859      6.313684
  C      -4.478524      1.836362      7.704741
  C      -3.089199      1.211367      7.751924
  N      -2.197800      1.902923      6.786521
  C      -1.090720      1.039338      6.309876
  C      -1.596891     -0.032608      5.322134
  C      -1.664951      3.189977      7.314396
  C      -1.633562      4.184679      6.145372
  N      -2.922426      4.149505      5.471206
  H      -0.804300     -0.184937      4.563797
  H      -1.726998     -1.008743      5.834113
  H      -0.380437      1.702519      5.795407
  H      -0.563037      0.579207      7.165475
  H      -1.397114      5.199512      6.511741
  H      -0.819323      3.894649      5.456325
  H      -2.346847      3.557107      8.093567
  H      -0.668927      3.034659      7.765472
  H      -5.179834      1.174096      8.246606
  H      -4.481319      2.804787      8.244079
  H      -3.152635      0.158501      7.445163
  H      -2.669577      1.251914      8.774153
  C      -3.746363     -0.691903      4.348406
  C      -3.279023     -1.525204      3.139157
  C      -3.174271     -0.731443      1.848345
  O      -4.530455     -0.412146      1.417143
  C      -4.723191      0.043038      0.151263
  C      -5.625874     -0.633078     -0.653988
  C      -5.928528     -0.137205     -1.939002
  N      -5.415989      0.966899     -2.462748
  C      -4.534200      1.658833     -1.681250
  C      -4.003834      2.882385     -2.160444
  C      -3.169114      3.621168     -1.350669
  C      -2.830140      3.115380     -0.075242
  N      -3.260162      1.955834      0.393805
  C      -4.132548      1.242444     -0.367327
  C      -3.789014      5.301628      5.687072
  C      -4.861117      5.525200      4.612082
  C      -4.300529      5.937497      3.249099
  O      -5.104948      5.465986      2.150608
  C      -6.339451      5.908492      1.893640
  C      -6.947497      7.063683      2.362461
  C      -8.226102      7.400588      1.858750
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  C      -8.332047      5.569695      0.491094
  C      -8.980749      4.765078     -0.481319
  C      -8.424044      3.555031     -0.845874
  C      -7.230282      3.129618     -0.214384
  N      -6.582204      3.864850      0.669973
  C      -7.089795      5.077629      0.984937
  C      -6.363178      1.972086      6.162286
  C      -7.114483      3.163323      6.802527
  C      -8.366062      3.526778      6.028071
  O      -7.992391      4.021023      4.716335
  C      -8.928740      3.795297      3.747898
  C      -9.943119      4.695556      3.496962
  C     -10.883822      4.410140      2.480708
  N     -10.864562      3.328194      1.719381
  C      -9.846003      2.443322      1.932152
  C      -9.728467      1.304727      1.098263
  C      -8.684327      0.428072      1.296613
  C      -7.741492      0.701223      2.317409
  N      -7.810357      1.752093      3.118282
  C      -8.841308      2.619350      2.937207
  H      -3.884825     -1.368755      5.217971
  H      -4.731733     -0.262666      4.110904
  H      -2.289133     -1.961968      3.350524
  H      -3.981929     -2.360869      2.985966
  H      -2.693747     -1.329627      1.057378
  H      -2.609824      0.201071      1.990085
  H      -6.102585     -1.540846     -0.281841
  H      -6.639667     -0.686549     -2.565284
  H      -4.303708      3.221880     -3.153234
  H      -2.775071      4.584872     -1.677145
  H      -2.210362      3.710297      0.609217
  H      -3.172310      6.219407      5.774489
  H      -4.327283      5.194290      6.653361
  H      -5.545531      6.303903      4.981628
  H      -5.457606      4.609099      4.482579
  H      -3.333404      5.448068      3.048064
  H      -4.173079      7.031709      3.178383
  H      -6.458625      7.717529      3.084632
  H      -8.702469      8.314032      2.233139
  H      -9.928364      5.112282     -0.896350
  H      -8.921028      2.902693     -1.566925
  H      -6.790882      2.145123     -0.419513
  H      -6.741082      1.035844      6.623654
  H      -6.606193      1.932334      5.092002
  H      -6.445047      4.036220      6.857425
  H      -7.434223      2.926375      7.830661
  H      -8.948993      4.308891      6.544613
  H      -9.013056      2.640837      5.906992
  H     -10.001867      5.628880      4.058022
  H     -11.682783      5.131180      2.281415
  H     -10.451657      1.179532      0.290228
  H      -8.554256     -0.450175      0.662684
  H      -6.872636      0.044192      2.447784
  N      -4.470751      2.598318      3.329005
  N      -4.908709      2.797280      2.288942
100
Coordinates from ORCA-job orca E -6483.669858094492
  N      -2.836984      0.380046      4.745200
  Mo     -3.523827      2.257639      5.017808
  N      -4.925447      2.004937      6.341117
  C      -4.488909      1.836318      7.733913
  C      -3.097543      1.216342      7.785169
  N      -2.205713      1.904433      6.816997
  C      -1.094394      1.043012      6.345926
  C      -1.588604     -0.033285      5.358436
  C      -1.680864      3.201083      7.329533
  C      -1.637775      4.178838      6.148074
  N      -2.918673      4.142000      5.457789
  H      -0.784819     -0.189280      4.612347
  H      -1.720868     -1.008082      5.873247
  H      -0.383779      1.708090      5.834383
  H      -0.566536      0.588035      7.204397
  H      -1.398983      5.196799      6.504764
  H      -0.816049      3.879545      5.471665
  H      -2.370077      3.574805      8.099206
  H      -0.688434      3.054590      7.791986
  H      -5.188850      1.175570      8.279744
  H      -4.495412      2.807276      8.268703
  H      -3.156211      0.162379      7.481001
  H      -2.679239      1.261519      8.807899
  C      -3.710788     -0.707954      4.340332
  C      -3.226548     -1.512006      3.119627
  C      -3.147460     -0.697455      1.841644
  O      -4.516054     -0.410486      1.423230
  C      -4.731305      0.055241      0.166877
  C      -5.666240     -0.602349     -0.617749
  C      -5.997541     -0.094839     -1.890605
  N      -5.484985      1.006439     -2.421102
  C      -4.573009      1.680985     -1.659116
  C      -4.043171      2.903005     -2.143630
  C      -3.177227      3.625367     -1.352749
  C      -2.804646      3.102368     -0.092976
  N      -3.232491      1.944081      0.378988
  C      -4.138843      1.249491     -0.360922
  C      -3.778323      5.302870      5.654548
  C      -4.849757      5.514099      4.577442
  C      -4.283516      5.915265      3.214814
  O      -5.083442      5.441693      2.112432
  C      -6.316720      5.890977      1.863807
  C      -6.914539      7.043201      2.354177
  C      -8.193184      7.399268      1.865980
  N      -8.884149      6.748148      0.940713
  C      -8.324088      5.588283      0.474753
  C      -8.993923      4.804063     -0.498965
  C      -8.455820      3.593729     -0.887457
  C      -7.256672      3.149656     -0.281483
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  C      -7.078854      5.079032      0.947926
  C      -6.367659      1.960277      6.176685
  C      -7.121786      3.154519      6.806260
  C      -8.376616      3.507763      6.033323
  O      -8.004191      3.999579      4.720362
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  C      -9.945306      4.678513      3.490475
  C     -10.881785      4.397287      2.469596
  N     -10.862733      3.314620      1.708727
  C      -9.847651      2.427038      1.926197
  C      -9.725658      1.292731      1.087102
  C      -8.682403      0.415212      1.286909
  C      -7.749029      0.679705      2.318688
  N      -7.824403      1.724373      3.127199
  C      -8.850599      2.596424      2.940452
  H      -3.842035     -1.402333      5.197130
  H      -4.703959     -0.293663      4.108101
  H      -2.226870     -1.930446      3.322265
  H      -3.908263     -2.363060      2.955250
  H      -2.658332     -1.272111      1.038669
  H      -2.607909      0.247786      1.991417
  H      -6.145210     -1.505667     -0.237561
  H      -6.732248     -0.631721     -2.500341
  H      -4.367594      3.252946     -3.125064
  H      -2.780456      4.587022     -1.681866
  H      -2.154087      3.683522      0.573556
  H      -3.157078      6.218608      5.730389
  H      -4.317704      5.217110      6.622744
  H      -5.534964      6.295590      4.940019
  H      -5.449154      4.598928      4.459522
  H      -3.317412      5.421956      3.025582
  H      -4.150551      7.008251      3.136635
  H      -6.416762      7.682683      3.082935
  H      -8.658591      8.310809      2.258491
  H      -9.944250      5.165613     -0.895237
  H      -8.971880      2.954990     -1.607265
  H      -6.831254      2.164789     -0.508088
  H      -6.750816      1.025956      6.637873
  H      -6.600342      1.915481      5.104247
  H      -6.456143      4.030867      6.854321
  H      -7.436487      2.926145      7.838132
  H      -8.961708      4.289938      6.547471
  H      -9.020980      2.619546      5.915338
  H     -10.000252      5.614231      4.048061
  H     -11.676542      5.122031      2.266726
  H     -10.441986      1.174840      0.271828
  H      -8.546095     -0.457844      0.647166
  H      -6.881925      0.021094      2.452113
  N      -4.476018      2.563307      3.356328
  N      -4.892739      2.752283      2.305211
100
Coordinates from ORCA-job orca E -6483.674938925798
  N      -2.829156      0.392085      4.767234
  Mo     -3.534214      2.255371      5.069126
  N      -4.938723      1.999749      6.385539
  C      -4.509050      1.829317      7.779500
  C      -3.115808      1.213289      7.830923
  N      -2.222650      1.905259      6.865991
  C      -1.107053      1.049329      6.395954
  C      -1.589694     -0.021925      5.399612
  C      -1.704524      3.205781      7.375102
  C      -1.645259      4.175500      6.188982
  N      -2.917202      4.142955      5.480647
  H      -0.774507     -0.177291      4.665766
  H      -1.727894     -0.998909      5.909030
  H      -0.394487      1.719194      5.893778
  H      -0.581669      0.591354      7.254362
  H      -1.403777      5.193419      6.544059
  H      -0.816085      3.871095      5.524000
  H      -2.401887      3.581849      8.136221
  H      -0.717156      3.063063      7.849707
  H      -5.208185      1.165681      8.322904
  H      -4.519646      2.798435      8.317420
  H      -3.170907      0.160812      7.521097
  H      -2.699281      1.254472      8.854519
  C      -3.677655     -0.703677      4.327804
  C      -3.159772     -1.477250      3.101643
  C      -3.103908     -0.657375      1.826163
  O      -4.482337     -0.448449      1.386831
  C      -4.707088     -0.015269      0.120799
  C      -5.607741     -0.732124     -0.653111
  C      -5.945098     -0.278635     -1.943574
  N      -5.473616      0.827094     -2.502063
  C      -4.601931      1.562946     -1.750345
  C      -4.126510      2.795405     -2.264019
  C      -3.305766      3.580426     -1.485981
  C      -2.919665      3.108830     -0.209973
  N      -3.294321      1.944484      0.289917
  C      -4.162002      1.188398     -0.436782
  C      -3.766373      5.313261      5.667212
  C      -4.835963      5.521434      4.589545
  C      -4.262391      5.913578      3.228574
  O      -5.060841      5.446176      2.121582
  C      -6.293102      5.906914      1.884182
  C      -6.880297      7.052057      2.403968
  C      -8.158196      7.430872      1.933188
  N      -8.859967      6.805092      0.999013
  C      -8.311339      5.652300      0.504079
  C      -8.998742      4.897499     -0.479707
  C      -8.476035      3.692315     -0.901763
  C      -7.273242      3.226934     -0.320404
  N      -6.588264      3.915109      0.573543
  C      -7.064834      5.123046      0.954453
  C      -6.378866      1.955601      6.204634
  C      -7.138761      3.148297      6.826954
  C      -8.391579      3.494562      6.048012
  O      -8.013799      3.994155      4.739041
  C      -8.940825      3.771918      3.760822
  C      -9.948288      4.679710      3.505568
  C     -10.880558      4.408226      2.478982
  N     -10.856422      3.334008      1.706440
  C      -9.838319      2.448435      1.915192
  C      -9.708071      1.328244      1.058812
  C      -8.658567      0.455572      1.245381
  C      -7.731336      0.706963      2.285321
  N      -7.817730      1.734984      3.114126
  C      -8.846698      2.606337      2.937098
  H      -3.800956     -1.417082      5.169800
  H      -4.679022     -0.310334      4.094116
  H      -2.147862     -1.861442      3.310605
  H      -3.805841     -2.353357      2.925548
  H      -2.581050     -1.211016      1.029986
  H      -2.612467      0.312788      1.975370
  H      -6.050050     -1.644770     -0.251835
  H      -6.647629     -0.865463     -2.544717
  H      -4.457228      3.101210     -3.257839
  H      -2.952221      4.550957     -1.836894
  H      -2.303130      3.738519      0.443192
  H      -3.137249      6.224063      5.735550
  H      -4.305585      5.244682      6.636928
  H      -5.519043      6.306589      4.947909
  H      -5.440550      4.609781      4.478942
  H      -3.299234      5.412478      3.048434
  H      -4.119054      7.004919      3.147709
  H      -6.374115      7.670655      3.144466
  H      -8.613363      8.336684      2.349529
  H      -9.949955      5.276443     -0.856664
  H      -9.005470      3.074066     -1.629217
  H      -6.857611      2.245745     -0.575173
  H      -6.769362      1.020238      6.657447
  H      -6.597404      1.914302      5.129324
  H      -6.477991      4.028305      6.876418
  H      -7.453960      2.922220      7.859165
  H      -8.983188      4.272472      6.561048
  H      -9.031135      2.603932      5.923501
  H     -10.005533      5.609730      4.072165
  H     -11.677094      5.132492      2.282554
  H     -10.421859      1.219592      0.240259
  H      -8.513575     -0.404128      0.590131
  H      -6.860003      0.052238      2.409814
  N      -4.487892      2.558616      3.402663
  N      -4.882211      2.746026      2.345129
100
Coordinates from ORCA-job orca E -6483.679624745220
  N      -2.825790      0.383940      4.783597
  Mo     -3.546820      2.234384      5.096958
  N      -4.947605      1.992232      6.417910
  C      -4.517723      1.835195      7.812928
  C      -3.123055      1.222437      7.864708
  N      -2.233259      1.906210      6.890068
  C      -1.117036      1.047236      6.426341
  C      -1.595020     -0.029850      5.435489
  C      -1.717732      3.215020      7.379514
  C      -1.644649      4.162708      6.177337
  N      -2.910500      4.126312      5.455664
  H      -0.772092     -0.196284      4.712803
  H      -1.742705     -1.002288      5.951211
  H      -0.402869      1.713912      5.922421
  H      -0.592279      0.594399      7.287956
  H      -1.398813      5.184536      6.517959
  H      -0.811175      3.844688      5.524195
  H      -2.420485      3.604455      8.128935
  H      -0.734390      3.080359      7.865271
  H      -5.213722      1.175262      8.364852
  H      -4.528681      2.808911      8.342580
  H      -3.178307      0.167787      7.562224
  H      -2.702479      1.271017      8.886347
  C      -3.658245     -0.714462      4.319023
  C      -3.126692     -1.451934      3.076694
  C      -3.093784     -0.604857      1.818166
  O      -4.478823     -0.413665      1.388507
  C      -4.716131      0.036932      0.131027
  C      -5.660185     -0.642091     -0.625784
  C      -6.013577     -0.166609     -1.903444
  N      -5.518225      0.927394     -2.465432
  C      -4.603118      1.626184     -1.730483
  C      -4.097809      2.845863     -2.247003
  C      -3.228981      3.594407     -1.485652
  C      -2.824811      3.097247     -0.224799
  N      -3.228740      1.943557      0.276215
  C      -4.143587      1.225708     -0.431438
  C      -3.747093      5.309578      5.621683
  C      -4.820931      5.504705      4.546119
  C      -4.249328      5.870332      3.176841
  O      -5.053037      5.394932      2.076470
  C      -6.284904      5.863679      1.846541
  C      -6.859524      7.009620      2.379356
  C      -8.137983      7.403133      1.924695
  N      -8.853654      6.786888      0.994662
  C      -8.317415      5.634292      0.486790
  C      -9.026115      4.894113     -0.492473
  C      -8.519236      3.689542     -0.933523
  C      -7.309100      3.213536     -0.376942
  N      -6.603333      3.886519      0.512864
  C      -7.067487      5.093286      0.916799
  C      -6.387640      1.948547      6.232742
  C      -7.147135      3.148095      6.841172
  C      -8.402384      3.482914      6.061246
  O      -8.024858      3.975236      4.749413
  C      -8.952069      3.750715      3.771607
  C      -9.954605      4.662663      3.510969
  C     -10.885576      4.392760      2.483123
  N     -10.863294      3.316614      1.712843
  C      -9.848430      2.428363      1.925100
  C      -9.718581      1.307720      1.069294
  C      -8.670906      0.433382      1.258275
  C      -7.748689      0.680305      2.303371
  N      -7.836502      1.706633      3.134329
  C      -8.860332      2.582885      2.951500
  H      -3.775060     -1.448946      5.143557
  H      -4.664680     -0.330098      4.092344
  H      -2.106742     -1.820034      3.275445
  H      -3.754214     -2.338039      2.884315
  H      -2.564463     -1.130809      1.007610
  H      -2.623261      0.372374      1.983844
  H      -6.123832     -1.542082     -0.219781
  H      -6.749833     -0.724128     -2.492002
  H      -4.442784      3.170400     -3.230014
  H      -2.848838      4.554149     -1.838457
  H      -2.162991      3.695708      0.413291
  H      -3.107809      6.214750      5.666403
  H      -4.279476      5.270598      6.596815
  H      -5.498645      6.298819      4.894590
  H      -5.431618      4.595133      4.456288
  H      -3.290220      5.358874      3.005024
  H      -4.095135      6.958890      3.079228
  H      -6.342120      7.618688      3.119817
  H      -8.582261      8.309433      2.351369
  H      -9.980085      5.284255     -0.850397
  H      -9.064007      3.080425     -1.657188
  H      -6.903963      2.232688     -0.650109
  H      -6.783853      1.017660      6.689826
  H      -6.600194      1.900149      5.156536
  H      -6.489019      4.030983      6.876065
  H      -7.455584      2.936071      7.878414
  H      -8.995207      4.263601      6.568758
  H      -9.039692      2.589847      5.943308
  H     -10.007867      5.594533      4.074946
  H     -11.680084      5.118410      2.283530
  H     -10.430942      1.200173      0.249353
  H      -8.524846     -0.425615      0.602249
  H      -6.880689      0.022441      2.432812
  N      -4.507730      2.516814      3.423552
  N      -4.887740      2.687087      2.358923
100
Coordinates from ORCA-job orca E -6483.683576609512
  N      -2.816173      0.381234      4.801807
  Mo     -3.557649      2.216022      5.129593
  N      -4.958405      1.981888      6.450934
  C      -4.532041      1.834017      7.847835
  C      -3.135530      1.225176      7.902325
  N      -2.247512      1.904753      6.922331
  C      -1.127630      1.045688      6.466651
  C      -1.597718     -0.034833      5.477619
  C      -1.738022      3.219759      7.399390
  C      -1.646882      4.149582      6.185798
  N      -2.903605      4.109776      5.445999
  H      -0.764898     -0.212225      4.769012
  H      -1.758989     -1.002958      5.997552
  H      -0.410798      1.711093      5.965141
  H      -0.606882      0.595708      7.332215
  H      -1.400655      5.174416      6.516823
  H      -0.806316      3.821922      5.546769
  H      -2.450544      3.619604      8.133983
  H      -0.761484      3.092284      7.901036
  H      -5.226159      1.175342      8.403635
  H      -4.545790      2.810701      8.372011
  H      -3.189530      0.169127      7.604124
  H      -2.713331      1.278527      8.923055
  C      -3.628913     -0.719027      4.306256
  C      -3.073008     -1.421465      3.055083
  C      -3.062288     -0.550705      1.813642
  O      -4.452891     -0.401887      1.383563
  C      -4.710264      0.050215      0.131800
  C      -5.668476     -0.630613     -0.605831
  C      -6.041384     -0.162472     -1.879818
  N      -5.553823      0.927676     -2.456100
  C      -4.626894      1.629482     -1.739502
  C      -4.130505      2.846032     -2.271675
  C      -3.247020      3.597901     -1.531542
  C      -2.820498      3.107313     -0.275522
  N      -3.218612      1.958571      0.241023
  C      -4.145468      1.236032     -0.445811
  C      -3.729284      5.303946      5.595995
  C      -4.805735      5.492774      4.523337
  C      -4.232126      5.838550      3.150342
  O      -5.038133      5.361301      2.052516
  C      -6.266995      5.841658      1.828483
  C      -6.825839      6.988521      2.376335
  C      -8.103768      7.399873      1.938906
  N      -8.835146      6.796735      1.012735
  C      -8.314229      5.644461      0.489176
  C      -9.045318      4.922939     -0.487237
  C      -8.556470      3.720107     -0.950687
  C      -7.340276      3.229582     -0.421070
  N      -6.611741      3.883808      0.465480
  C      -7.062329      5.088174      0.896261
  C      -6.397697      1.940313      6.256805
  C      -7.157191      3.146715      6.850198
  C      -8.411233      3.472619      6.064501
  O      -8.027976      3.959839      4.752109
  C      -8.953643      3.738752      3.771776
  C      -9.953274      4.654155      3.511747
  C     -10.883911      4.389236      2.482468
  N     -10.863308      3.314852      1.709665
  C      -9.849968      2.424457      1.919748
  C      -9.722383      1.305496      1.061460
  C      -8.674966      0.430235      1.246890
  C      -7.753741      0.671880      2.293845
  N      -7.842053      1.693536      3.130424
  C      -8.862907      2.573238      2.948358
  H      -3.743228     -1.472733      5.113244
  H      -4.638854     -0.344826      4.077945
  H      -2.043928     -1.764964      3.250530
  H      -3.674266     -2.321971      2.845621
  H      -2.512066     -1.042184      0.995640
  H      -2.628541      0.439412      1.998465
  H      -6.125364     -1.528578     -0.187867
  H      -6.786749     -0.722770     -2.454128
  H      -4.492004      3.163756     -3.250992
  H      -2.870298      4.553986     -1.897746
  H      -2.138581      3.703694      0.341954
  H      -3.079968      6.202771      5.621170
  H      -4.254991      5.289184      6.575473
  H      -5.478269      6.294119      4.864892
  H      -5.422004      4.586004      4.446471
  H      -3.277381      5.317553      2.988262
  H      -4.066464      6.924475      3.042003
  H      -6.295425      7.584934      3.117699
  H      -8.534919      8.306735      2.377493
  H     -10.000776      5.327362     -0.824635
  H      -9.116589      3.124085     -1.673240
  H      -6.949336      2.250177     -0.716730
  H      -6.802122      1.013391      6.714752
  H      -6.600630      1.887658      5.178831
  H      -6.500068      4.030962      6.872870
  H      -7.463320      2.948633      7.890826
  H      -9.007212      4.255112      6.565560
  H      -9.046305      2.577771      5.948491
  H     -10.004577      5.584173      4.078929
  H     -11.678016      5.115825      2.284588
  H     -10.437232      1.198905      0.243563
  H      -8.529645     -0.426512      0.587802
  H      -6.887405      0.011982      2.422682
  N      -4.521655      2.482104      3.449473
  N      -4.889106      2.638804      2.376329
100
Coordinates from ORCA-job orca E -6483.687032325627
  N      -2.812641      0.379116      4.817096
  Mo     -3.571190      2.199944      5.157663
  N      -4.971289      1.976319      6.482051
  C      -4.546812      1.836787      7.880212
  C      -3.149902      1.228693      7.936302
  N      -2.263679      1.901786      6.949734
  C      -1.142437      1.039593      6.502396
  C      -1.609117     -0.043681      5.517153
  C      -1.756662      3.221259      7.414888
  C      -1.645766      4.133731      6.190902
  N      -2.894047      4.092173      5.434538
  H      -0.768039     -0.236660      4.822656
  H      -1.788866     -1.005508      6.042747
  H      -0.421560      1.701223      6.002156
  H      -0.627136      0.591414      7.372051
  H      -1.398148      5.161021      6.512698
  H      -0.799557      3.795585      5.565188
  H      -2.478333      3.633472      8.133547
  H      -0.787917      3.098400      7.932851
  H      -5.239933      1.180666      8.440171
  H      -4.560983      2.816509      8.398551
  H      -3.205582      0.171165      7.643245
  H      -2.724597      1.286494      8.955393
  C      -3.608093     -0.720085      4.289873
  C      -3.026558     -1.387590      3.031691
  C      -3.034123     -0.494001      1.807097
  O      -4.425911     -0.387911      1.368132
  C      -4.695806      0.063191      0.120232
  C      -5.661372     -0.621848     -0.604541
  C      -6.043336     -0.164349     -1.878941
  N      -5.558809      0.920282     -2.468322
  C      -4.626453      1.627029     -1.763961
  C      -4.133814      2.838329     -2.310917
  C      -3.242000      3.595260     -1.586611
  C      -2.804581      3.114891     -0.330502
  N      -3.202041      1.973057      0.201552
  C      -4.134697      1.244603     -0.470392
  C      -3.708122      5.296893      5.570967
  C      -4.789397      5.480215      4.503555
  C      -4.218006      5.805867      3.124716
  O      -5.030971      5.326724      2.033014
  C      -6.257281      5.818032      1.816082
  C      -6.802215      6.965867      2.376316
  C      -8.080699      7.390772      1.955509
  N      -8.826578      6.798244      1.034294
  C      -8.318131      5.647263      0.496350
  C      -9.067436      4.940711     -0.477076
  C      -8.591364      3.741200     -0.960342
  C      -7.368623      3.241099     -0.455524
  N      -6.622069      3.880055      0.427751
  C      -7.064117      5.079595      0.882072
  C      -6.410491      1.940152      6.283990
  C      -7.165603      3.155238      6.863733
  C      -8.420150      3.471892      6.075232
  O      -8.033844      3.950257      4.760479
  C      -8.962026      3.731767      3.781894
  C      -9.962064      4.647939      3.526380
  C     -10.895434      4.385268      2.498994
  N     -10.876049      3.313137      1.723050
  C      -9.860971      2.423342      1.927193
  C      -9.734356      1.307308      1.064978
  C      -8.683828      0.434253      1.242905
  C      -7.760932      0.672857      2.289019
  N      -7.850710      1.689022      3.131947
  C      -8.872144      2.568867      2.954553
  H      -3.722537     -1.491772      5.079295
  H      -4.619742     -0.353304      4.057352
  H      -1.989702     -1.706310      3.227409
  H      -3.600842     -2.300948      2.803328
  H      -2.459710     -0.948730      0.984798
  H      -2.637536      0.506989      2.014215
  H      -6.113993     -1.517167     -0.176607
  H      -6.792673     -0.729117     -2.443604
  H      -4.503461      3.146846     -3.290086
  H      -2.866152      4.546644     -1.965584
  H      -2.109274      3.710953      0.271279
  H      -3.048556      6.188633      5.574773
  H      -4.224430      5.305259      6.555568
  H      -5.455387      6.288678      4.840181
  H      -5.411060      4.576400      4.439951
  H      -3.268368      5.274755      2.968523
  H      -4.040917      6.888842      3.005055
  H      -6.259827      7.552063      3.116798
  H      -8.500419      8.297981      2.404118
  H     -10.024854      5.355551     -0.795498
  H      -9.163394      3.155260     -1.681582
  H      -6.988145      2.264864     -0.772433
  H      -6.823016      1.018484      6.745118
  H      -6.607947      1.882987      5.205200
  H      -6.507191      4.038946      6.869706
  H      -7.466821      2.973850      7.908681
  H      -9.018112      4.257129      6.569513
  H      -9.053322      2.575119      5.964323
  H     -10.011883      5.576090      4.096685
  H     -11.691310      5.111023      2.305429
  H     -10.453449      1.200089      0.251013
  H      -8.538501     -0.419044      0.579518
  H      -6.892774      0.014287      2.413074
  N      -4.538199      2.451875      3.473410
  N      -4.896623      2.593039      2.398462
100
Coordinates from ORCA-job orca E -6483.690070965582
  N      -2.803325      0.377129      4.833716
  Mo     -3.582526      2.182625      5.184590
  N      -4.983569      1.968279      6.510996
  C      -4.562422      1.837031      7.910907
  C      -3.164779      1.230307      7.970604
  N      -2.279613      1.897564      6.978539
  C      -1.155230      1.033463      6.541487
  C      -1.617139     -0.052944      5.560071
  C      -1.776945      3.221349      7.433555
  C      -1.644419      4.116903      6.200406
  N      -2.882810      4.071743      5.425937
  H      -0.767432     -0.263048      4.881381
  H      -1.817694     -1.007323      6.091828
  H      -0.430346      1.691922      6.043294
  H      -0.646585      0.587454      7.416072
  H      -1.397747      5.146837      6.513820
  H      -0.791475      3.769587      5.589415
  H      -2.510065      3.645480      8.133522
  H      -0.817781      3.103669      7.970484
  H      -5.255179      1.182842      8.473496
  H      -4.578375      2.819528      8.423743
  H      -3.221260      0.171186      7.683029
  H      -2.737583      1.293087      8.988508
  C      -3.579700     -0.721030      4.273991
  C      -2.971683     -1.353349      3.010266
  C      -3.001150     -0.438186      1.802201
  O      -4.393057     -0.376988      1.356949
  C      -4.682089      0.073204      0.114561
  C      -5.657978     -0.616933     -0.592275
  C      -6.057987     -0.168978     -1.863732
  N      -5.583006      0.912148     -2.467358
  C      -4.642773      1.624821     -1.780127
  C      -4.160490      2.832802     -2.343024
  C      -3.257831      3.595855     -1.639123
  C      -2.801264      3.125437     -0.386291
  N      -3.192144      1.989055      0.162309
  C      -4.131505      1.252535     -0.490643
  C      -3.687689      5.285196      5.548707
  C      -4.773132      5.464129      4.485884
  C      -4.203369      5.772339      3.102068
  O      -5.024163      5.295341      2.015752
  C      -6.245838      5.801385      1.804561
  C      -6.774101      6.952429      2.374644
  C      -8.052332      7.392026      1.970255
  N      -8.814540      6.809448      1.056511
  C      -8.321333      5.658107      0.505987
  C      -9.089672      4.965987     -0.463051
  C      -8.627240      3.769381     -0.965137
  C      -7.398812      3.259303     -0.485771
  N      -6.634286      3.883171      0.393389
  C      -7.066088      5.078238      0.870251
  C      -6.422353      1.937667      6.307610
  C      -7.171354      3.164204      6.869842
  C      -8.425391      3.473824      6.077027
  O      -8.034617      3.939122      4.758648
  C      -8.964609      3.722186      3.780953
  C      -9.964913      4.638895      3.528214
  C     -10.899364      4.378070      2.501497
  N     -10.880511      3.307690      1.723286
  C      -9.864952      2.417775      1.924036
  C      -9.739962      1.302891      1.060171
  C      -8.687928      0.430634      1.233683
  C      -7.764356      0.666900      2.279571
  N      -7.854819      1.679681      3.126409
  C      -8.875343      2.560846      2.950949
  H      -3.694677     -1.509453      5.046172
  H      -4.592617     -0.362124      4.035165
  H      -1.927054     -1.644558      3.206707
  H      -3.516959     -2.279556      2.763710
  H      -2.403574     -0.852594      0.975379
  H      -2.643267      0.572048      2.032378
  H      -6.101904     -1.510923     -0.152760
  H      -6.813847     -0.738706     -2.414505
  H      -4.545326      3.132896     -3.318922
  H      -2.888145      4.544047     -2.031811
  H      -2.091532      3.722545      0.196887
  H      -3.019312      6.170306      5.532637
  H      -4.195340      5.314089      6.537394
  H      -5.432695      6.279014      4.818598
  H      -5.399989      4.563363      4.432643
  H      -3.259482      5.230157      2.950167
  H      -4.013991      6.852270      2.973695
  H      -6.218392      7.529020      3.112460
  H      -8.458557      8.301168      2.427163
  H     -10.048165      5.391798     -0.763020
  H      -9.210831      3.194093     -1.685547
  H      -7.029267      2.286789     -0.825117
  H      -6.844475      1.022889      6.773635
  H      -6.613492      1.873671      5.228081
  H      -6.509082      4.045086      6.856387
  H      -7.468816      3.002659      7.918957
  H      -9.023674      4.264189      6.562659
  H      -9.058836      2.576405      5.972749
  H     -10.014307      5.565571      4.100902
  H     -11.696241      5.103351      2.310469
  H     -10.462887      1.194100      0.249840
  H      -8.543408     -0.421101      0.568144
  H      -6.895970      0.008255      2.401650
  N      -4.551736      2.420493      3.496465
  N      -4.907648      2.547255      2.415534
100
Coordinates from ORCA-job orca E -6483.692758368211
  N      -2.793603      0.375369      4.845936
  Mo     -3.592024      2.167956      5.203699
  N      -4.995300      1.963512      6.532226
  C      -4.577560      1.839375      7.933789
  C      -3.179926      1.233080      7.997849
  N      -2.294850      1.893738      7.001017
  C      -1.167912      1.026626      6.575388
  C      -1.627105     -0.063330      5.599723
  C      -1.795823      3.221432      7.446624
  C      -1.640299      4.100494      6.205343
  N      -2.868537      4.052231      5.413080
  H      -0.769481     -0.294341      4.938109
  H      -1.851597     -1.008110      6.139246
  H      -0.438523      1.680780      6.078473
  H      -0.666595      0.583283      7.455464
  H      -1.394616      5.132823      6.511072
  H      -0.780784      3.744015      5.609463
  H      -2.540868      3.657689      8.126386
  H      -0.847405      3.108188      8.003500
  H      -5.270814      1.187148      8.498032
  H      -4.595085      2.824145      8.442021
  H      -3.237574      0.172400      7.715895
  H      -2.751445      1.300777      9.014817
  C      -3.550990     -0.722120      4.256060
  C      -2.917317     -1.322357      2.989406
  C      -2.969227     -0.390277      1.795061
  O      -4.359296     -0.372924      1.342855
  C      -4.665538      0.079461      0.107206
  C      -5.651819     -0.611239     -0.585510
  C      -6.066820     -0.167145     -1.852909
  N      -5.597573      0.911285     -2.466509
  C      -4.648405      1.624739     -1.792685
  C      -4.171181      2.829597     -2.366488
  C      -3.256730      3.593237     -1.678654
  C      -2.785878      3.127488     -0.429403
  N      -3.175065      1.996267      0.131164
  C      -4.121616      1.256982     -0.507790
  C      -3.666474      5.272507      5.524594
  C      -4.757311      5.446293      4.467205
  C      -4.191291      5.741600      3.078761
  O      -5.020382      5.266796      1.998101
  C      -6.238149      5.784971      1.793478
  C      -6.753164      6.937532      2.373101
  C      -8.032416      7.387613      1.984663
  N      -8.808827      6.813301      1.077868
  C      -8.327062      5.663471      0.514258
  C      -9.110634      4.982888     -0.450806
  C      -8.657295      3.790732     -0.970665
  C      -7.422150      3.274716     -0.515704
  N      -6.643668      3.886672      0.360060
  C      -7.069521      5.075456      0.858210
  C      -6.434251      1.940622      6.326697
  C      -7.174787      3.178487      6.874552
  C      -8.431198      3.479442      6.082266
  O      -8.039739      3.929808      4.759123
  C      -8.974994      3.715381      3.786153
  C      -9.977679      4.631092      3.539694
  C     -10.915596      4.370995      2.515748
  N     -10.897090      3.303174      1.733889
  C      -9.878842      2.414771      1.928291
  C      -9.754073      1.302676      1.060769
  C      -8.698765      0.433030      1.227554
  C      -7.773627      0.667148      2.272732
  N      -7.865305      1.675583      3.124462
  C      -8.886864      2.556242      2.953025
  H      -3.666919     -1.524744      5.012816
  H      -4.564661     -0.371079      4.009233
  H      -1.865740     -1.585020      3.188375
  H      -3.433566     -2.260759      2.727413
  H      -2.350251     -0.765290      0.965434
  H      -2.649247      0.627524      2.045794
  H      -6.089874     -1.504270     -0.138188
  H      -6.829885     -0.738007     -2.392532
  H      -4.568153      3.125974     -3.338679
  H      -2.889361      4.538235     -2.081146
  H      -2.061896      3.721858      0.138550
  H      -2.991524      6.152187      5.489958
  H      -4.164989      5.318773      6.517121
  H      -5.412020      6.265488      4.798261
  H      -5.387534      4.547370      4.422387
  H      -3.252494      5.190694      2.928594
  H      -3.992246      6.819052      2.943805
  H      -6.186366      7.506466      3.108273
  H      -8.427676      8.297346      2.450015
  H     -10.071376      5.415511     -0.733378
  H      -9.250515      3.223741     -1.689783
  H      -7.060200      2.307433     -0.876767
  H      -6.864897      1.033053      6.798852
  H      -6.622699      1.870078      5.247017
  H      -6.508317      4.055719      6.838983
  H      -7.464824      3.037453      7.928567
  H      -9.029520      4.274337      6.560312
  H      -9.063930      2.580428      5.987334
  H     -10.026591      5.556193      4.115015
  H     -11.714887      5.095041      2.329859
  H     -10.480951      1.192579      0.254175
  H      -8.554070     -0.415873      0.558422
  H      -6.903441      0.010027      2.390518
  N      -4.561922      2.393106      3.513163
  N      -4.916642      2.504544      2.433190
100
Coordinates from ORCA-job orca E -6483.695172361508
  N      -2.778420      0.373875      4.859798
  Mo     -3.598317      2.153567      5.221836
  N      -5.005595      1.957091      6.550544
  C      -4.593130      1.839862      7.954242
  C      -3.195078      1.235274      8.025047
  N      -2.308848      1.890163      7.025155
  C      -1.177993      1.021368      6.612270
  C      -1.633332     -0.072723      5.642253
  C      -1.815257      3.221876      7.462796
  C      -1.636095      4.084938      6.214484
  N      -2.853349      4.032458      5.404391
  H      -0.767663     -0.325545      4.999459
  H      -1.882930     -1.006753      6.189555
  H      -0.444590      1.671953      6.116934
  H      -0.684222      0.581611      7.498323
  H      -1.392564      5.119725      6.513104
  H      -0.769586      3.720114      5.634547
  H      -2.573428      3.669062      8.120680
  H      -0.878758      3.113854      8.040664
  H      -5.287516      1.188771      8.518431
  H      -4.614042      2.826440      8.458681
  H      -3.252309      0.172972      7.748998
  H      -2.767332      1.308609      9.041855
  C      -3.514293     -0.723534      4.239844
  C      -2.854897     -1.291769      2.971705
  C      -2.933833     -0.346730      1.788777
  O      -4.320722     -0.377766      1.330509
  C      -4.648027      0.074262      0.101422
  C      -5.641454     -0.623004     -0.575221
  C      -6.075891     -0.185643     -1.837803
  N      -5.619690      0.892240     -2.462582
  C      -4.664789      1.612213     -1.804425
  C      -4.199950      2.815962     -2.390613
  C      -3.277670      3.585708     -1.720388
  C      -2.789097      3.128540     -0.474874
  N      -3.169215      2.000819      0.098624
  C      -4.119151      1.252957     -0.524859
  C      -3.646851      5.257764      5.505833
  C      -4.742686      5.427555      4.453699
  C      -4.179881      5.714340      3.062174
  O      -5.017510      5.245962      1.985639
  C      -6.230187      5.778489      1.787694
  C      -6.730497      6.932607      2.377317
  C      -8.010164      7.394415      2.005237
  N      -8.801490      6.829467      1.105863
  C      -8.332797      5.681155      0.528564
  C      -9.131941      5.013348     -0.432576
  C      -8.688693      3.826129     -0.971428
  C      -7.447637      3.303112     -0.541818
  N      -6.655400      3.902162      0.330809
  C      -7.073532      5.084194      0.851483
  C      -6.444248      1.941509      6.340701
  C      -7.175825      3.191525      6.872261
  C      -8.434188      3.486332      6.080281
  O      -8.042212      3.920586      4.751927
  C      -8.981597      3.708079      3.782488
  C      -9.987376      4.622212      3.542674
  C     -10.927233      4.363832      2.520125
  N     -10.907957      3.299572      1.733509
  C      -9.887533      2.412421      1.922002
  C      -9.763501      1.303026      1.050966
  C      -8.706299      0.434638      1.212333
  C      -7.780282      0.665706      2.257403
  N      -7.872082      1.670542      3.113355
  C      -8.893748      2.551777      2.945281
  H      -3.630287     -1.539715      4.981438
  H      -4.528779     -0.381866      3.983774
  H      -1.796462     -1.522138      3.173546
  H      -3.339628     -2.243094      2.697061
  H      -2.294633     -0.681699      0.957615
  H      -2.655338      0.678527      2.057310
  H      -6.067935     -1.517168     -0.119063
  H      -6.843840     -0.762035     -2.364441
  H      -4.611827      3.105915     -3.358524
  H      -2.918756      4.529368     -2.133461
  H      -2.055577      3.725830      0.077288
  H      -2.967180      6.133121      5.455546
  H      -4.137275      5.318156      6.501396
  H      -5.393318      6.249887      4.784529
  H      -5.375817      4.530545      4.414652
  H      -3.246703      5.154525      2.911596
  H      -3.970840      6.789541      2.924311
  H      -6.152384      7.493205      3.109903
  H      -8.393287      8.304671      2.479625
  H     -10.094349      5.453091     -0.697897
  H      -9.291731      3.269272     -1.690290
  H      -7.093130      2.342025     -0.925607
  H      -6.884216      1.042027      6.819626
  H      -6.629070      1.862908      5.260937
  H      -6.504214      4.063732      6.814718
  H      -7.459126      3.071270      7.930551
  H      -9.030891      4.286834      6.550849
  H      -9.068005      2.586988      5.995100
  H     -10.037428      5.544911      4.121739
  H     -11.728883      5.086624      2.339533
  H     -10.493980      1.192212      0.247736
  H      -8.562084     -0.412062      0.540311
  H      -6.910092      0.008090      2.372572
  N      -4.568567      2.366507      3.529103
  N      -4.927512      2.465162      2.446956
100
Coordinates from ORCA-job orca E -6483.697337764673
  N      -2.761644      0.369088      4.874217
  Mo     -3.601638      2.138340      5.235878
  N      -5.015059      1.951746      6.563087
  C      -4.609422      1.842271      7.969371
  C      -3.211462      1.238954      8.049683
  N      -2.321988      1.886168      7.047577
  C      -1.187889      1.014116      6.649408
  C      -1.640335     -0.085169      5.686885
  C      -1.832983      3.221989      7.476390
  C      -1.629222      4.067831      6.220862
  N      -2.835368      4.011099      5.393580
  H      -0.767053     -0.362909      5.065051
  H      -1.917683     -1.006101      6.242988
  H      -0.449916      1.659636      6.154516
  H      -0.702131      0.579367      7.542304
  H      -1.386805      5.105094      6.511400
  H      -0.756259      3.693338      5.657566
  H      -2.603951      3.680650      8.111151
  H      -0.909105      3.119352      8.075380
  H      -5.306090      1.193052      8.532995
  H      -4.634113      2.830912      8.469551
  H      -3.268225      0.174681      7.781079
  H      -2.786225      1.319272      9.066966
  C      -3.475002     -0.728147      4.225612
  C      -2.789922     -1.263357      2.956713
  C      -2.894858     -0.306425      1.784944
  O      -4.277352     -0.381610      1.321082
  C      -4.627395      0.072732      0.100244
  C      -5.631905     -0.627819     -0.557261
  C      -6.091334     -0.193086     -1.811306
  N      -5.649741      0.884964     -2.446607
  C      -4.684377      1.607920     -1.807502
  C      -4.233079      2.811249     -2.405405
  C      -3.299336      3.584348     -1.755466
  C      -2.788238      3.132527     -0.517028
  N      -3.157538      2.007278      0.068188
  C      -4.114422      1.253129     -0.537132
  C      -3.625601      5.240546      5.485220
  C      -4.726534      5.405145      4.438004
  C      -4.167679      5.685215      3.043497
  O      -5.014002      5.223164      1.971068
  C      -6.222083      5.768535      1.780312
  C      -6.709376      6.922829      2.380657
  C      -7.989836      7.394832      2.024760
  N      -8.794631      6.839258      1.131721
  C      -8.337141      5.693787      0.539839
  C      -9.150033      5.038273     -0.418034
  C      -8.715512      3.856901     -0.976141
  C      -7.468571      3.328050     -0.571339
  N      -6.664426      3.914948      0.299093
  C      -7.075959      5.089390      0.842308
  C      -6.453551      1.945219      6.349209
  C      -7.175224      3.207197      6.865562
  C      -8.437095      3.494811      6.076565
  O      -8.047132      3.911756      4.742444
  C      -8.992381      3.701556      3.778699
  C     -10.003068      4.612620      3.547929
  C     -10.945976      4.355130      2.527799
  N     -10.925004      3.295251      1.735117
  C      -9.900668      2.410855      1.915827
  C      -9.775798      1.305373      1.039850
  C      -8.715535      0.439588      1.194891
  C      -7.788776      0.667770      2.240097
  N      -7.881283      1.668451      3.100719
  C      -8.904424      2.548828      2.936923
  H      -3.591016     -1.557735      4.951734
  H      -4.490069     -0.395903      3.959725
  H      -1.725848     -1.461620      3.162490
  H      -3.243311     -2.226226      2.669365
  H      -2.238547     -0.603000      0.952830
  H      -2.656061      0.724127      2.070467
  H      -6.046647     -1.523050     -0.092314
  H      -6.868037     -0.772100     -2.322111
  H      -4.664071      3.097705     -3.366065
  H      -2.949749      4.527223     -2.178340
  H      -2.043296      3.731611      0.017623
  H      -2.942435      6.112297      5.420168
  H      -4.108264      5.314226      6.483519
  H      -5.374274      6.229703      4.768817
  H      -5.361664      4.509337      4.404473
  H      -3.239747      5.117449      2.891101
  H      -3.949744      6.758429      2.903591
  H      -6.121390      7.475424      3.111397
  H      -8.362063      8.304543      2.508923
  H     -10.114482      5.483294     -0.666779
  H      -9.327916      3.310005     -1.694796
  H      -7.119893      2.374101     -0.977565
  H      -6.902796      1.054407      6.835640
  H      -6.636035      1.858210      5.269613
  H      -6.498992      4.074161      6.785597
  H      -7.449899      3.107680      7.928209
  H      -9.031865      4.300700      6.540272
  H      -9.071568      2.594780      6.003028
  H     -10.054877      5.532523      4.131341
  H     -11.751307      5.075664      2.354206
  H     -10.509526      1.194025      0.239635
  H      -8.570591     -0.404137      0.519189
  H      -6.918230      0.010207      2.352305
  N      -4.570235      2.338246      3.540795
  N      -4.934707      2.422374      2.460353
100
Coordinates from ORCA-job orca E -6483.699261384130
  N      -2.744373      0.363707      4.887331
  Mo     -3.603063      2.124212      5.246224
  N      -5.022378      1.947062      6.571562
  C      -4.623512      1.845769      7.980300
  C      -3.225636      1.244031      8.070858
  N      -2.332631      1.883308      7.066935
  C      -1.196026      1.007825      6.682987
  C      -1.647364     -0.097374      5.729317
  C      -1.847929      3.222932      7.487120
  C      -1.622224      4.052301      6.224972
  N      -2.818663      3.991199      5.383502
  H      -0.767937     -0.401442      5.128862
  H      -1.953099     -1.003550      6.294550
  H      -0.454311      1.647731      6.186696
  H      -0.716932      0.579210      7.582356
  H      -1.380127      5.091835      6.507204
  H      -0.744212      3.668300      5.676716
  H      -2.630389      3.691782      8.099931
  H      -0.935986      3.126114      8.105132
  H      -5.322570      1.198525      8.543326
  H      -4.652193      2.836491      8.476106
  H      -3.281510      0.177628      7.810648
  H      -2.803694      1.332333      9.088772
  C      -3.435396     -0.732880      4.212141
  C      -2.726267     -1.237571      2.943746
  C      -2.856592     -0.273338      1.780385
  O      -4.233450     -0.391574      1.311496
  C      -4.604712      0.064710      0.098825
  C      -5.615730     -0.641637     -0.543016
  C      -6.097035     -0.209887     -1.789282
  N      -5.670300      0.869370     -2.432770
  C      -4.697735      1.596613     -1.809875
  C      -4.258724      2.799344     -2.418167
  C      -3.316422      3.576243     -1.785626
  C      -2.786624      3.130242     -0.552902
  N      -3.145733      2.007224      0.042543
  C      -4.107667      1.247195     -0.547302
  C      -3.607237      5.223229      5.467852
  C      -4.713724      5.382507      4.426253
  C      -4.159874      5.659416      3.029327
  O      -5.015050      5.205889      1.960335
  C      -6.218479      5.764203      1.777154
  C      -6.693095      6.917999      2.388497
  C      -7.974046      7.399951      2.048245
  N      -8.791335      6.854228      1.160817
  C      -8.344637      5.712245      0.554201
  C      -9.170080      5.069313     -0.401120
  C      -8.743872      3.894463     -0.978725
  C      -7.491712      3.360265     -0.597875
  N      -6.677084      3.934668      0.271371
  C      -7.082079      5.100754      0.836997
  C      -6.460548      1.949943      6.353886
  C      -7.171241      3.223840      6.855446
  C      -8.437779      3.505942      6.071741
  O      -8.052910      3.904756      4.730945
  C      -9.004918      3.695477      3.773942
  C     -10.021698      4.602505      3.553808
  C     -10.967739      4.346122      2.536379
  N     -10.944606      3.291558      1.736653
  C      -9.916144      2.410275      1.908605
  C      -9.790656      1.309349      1.026959
  C      -8.727798      0.445598      1.175480
  C      -7.800258      0.670125      2.220741
  N      -7.892475      1.666882      3.085835
  C      -8.916978      2.546676      2.927037
  H      -3.551568     -1.574873      4.923426
  H      -4.450709     -0.409451      3.936438
  H      -1.657753     -1.404295      3.153750
  H      -3.148923     -2.211183      2.646266
  H      -2.185682     -0.535941      0.948874
  H      -2.655636      0.761715      2.078871
  H      -6.018008     -1.538969     -0.071306
  H      -6.879515     -0.792676     -2.286813
  H      -4.705500      3.081834     -3.372741
  H      -2.975244      4.518309     -2.217019
  H      -2.033567      3.732079     -0.033156
  H      -2.922328      6.092596      5.389875
  H      -4.082168      5.307568      6.468874
  H      -5.359916      6.207716      4.758218
  H      -5.349367      4.487047      4.397266
  H      -3.237229      5.084652      2.872584
  H      -3.933960      6.731017      2.889853
  H      -6.096076      7.462409      3.117879
  H      -8.335892      8.308453      2.542401
  H     -10.136388      5.518740     -0.634122
  H      -9.365250      3.357840     -1.697399
  H      -7.147552      2.414046     -1.025344
  H      -6.919106      1.068445      6.848522
  H      -6.641452      1.853877      5.274775
  H      -6.490566      4.084975      6.753238
  H      -7.435957      3.144323      7.922214
  H      -9.028248      4.318103      6.529860
  H      -9.074421      2.606338      6.011668
  H     -10.075764      5.519063      4.142210
  H     -11.777271      5.063813      2.370729
  H     -10.527194      1.198676      0.229259
  H      -8.582167     -0.394696      0.495695
  H      -6.929717      0.012105      2.329862
  N      -4.571610      2.311500      3.549812
  N      -4.946619      2.383119      2.471087
100
Coordinates from ORCA-job orca E -6483.700964168343
  N      -2.726403      0.355356      4.901087
  Mo     -3.601832      2.109016      5.254322
  N      -5.028216      1.942861      6.576163
  C      -4.637214      1.850915      7.987671
  C      -3.239877      1.250184      8.090469
  N      -2.341837      1.879982      7.085248
  C      -1.203731      0.999842      6.716021
  C      -1.655427     -0.112046      5.772949
  C      -1.860491      3.223285      7.496112
  C      -1.613948      4.035848      6.227330
  N      -2.801360      3.970597      5.372951
  H      -0.771045     -0.444722      5.195380
  H      -1.991183     -1.001429      6.347686
  H      -0.458429      1.632936      6.216549
  H      -0.730532      0.578593      7.621959
  H      -1.370768      5.077529      6.500397
  H      -0.731901      3.641572      5.693494
  H      -2.653338      3.702021      8.087558
  H      -0.960165      3.132723      8.131983
  H      -5.339456      1.206528      8.550156
  H      -4.669819      2.844208      8.478134
  H      -3.295078      0.181401      7.840038
  H      -2.822537      1.347620      9.109407
  C      -3.394722     -0.740318      4.200900
  C      -2.661732     -1.214905      2.934103
  C      -2.814300     -0.245001      1.778077
  O      -4.185523     -0.399639      1.305206
  C      -4.579633      0.061068      0.102269
  C      -5.600716     -0.648467     -0.520665
  C      -6.109243     -0.216644     -1.755483
  N      -5.699631      0.864897     -2.406314
  C      -4.716316      1.593992     -1.802909
  C      -4.292242      2.797255     -2.420947
  C      -3.338564      3.576401     -1.808871
  C      -2.784737      3.133740     -0.585487
  N      -3.130825      2.011609      0.019379
  C      -4.100101      1.246522     -0.552179
  C      -3.589011      5.204494      5.450296
  C      -4.700592      5.357295      4.413491
  C      -4.151554      5.632147      3.014454
  O      -5.015107      5.187075      1.948594
  C      -6.213926      5.757765      1.772677
  C      -6.676196      6.910751      2.394872
  C      -7.957393      7.402370      2.069654
  N      -8.786595      6.866199      1.187606
  C      -8.350311      5.727795      0.566679
  C      -9.187798      5.096915     -0.385872
  C      -8.769794      3.928771     -0.982697
  C      -7.512753      3.389753     -0.625300
  N      -6.688067      3.952029      0.242902
  C      -7.086586      5.109751      0.830246
  C      -6.466025      1.956615      6.354044
  C      -7.165053      3.242711      6.840070
  C      -8.437260      3.518502      6.063170
  O      -8.059306      3.896674      4.714895
  C      -9.019015      3.688242      3.765890
  C     -10.042470      4.590596      3.557173
  C     -10.991786      4.335082      2.542521
  N     -10.966077      3.286156      1.735252
  C      -9.933193      2.408317      1.898251
  C      -9.806729      1.311883      1.010997
  C      -8.741375      0.450179      1.153488
  C      -7.813519      0.671048      2.199315
  N      -7.905369      1.664279      3.068355
  C      -8.931179      2.543376      2.914057
  H      -3.510964     -1.594317      4.897480
  H      -4.410110     -0.425622      3.915421
  H      -1.590081     -1.351574      3.149593
  H      -3.054389     -2.197952      2.626544
  H      -2.132113     -0.478257      0.947268
  H      -2.645718      0.792434      2.087555
  H      -5.989704     -1.548079     -0.042158
  H      -6.900532     -0.801107     -2.236997
  H      -4.759061      3.077918     -3.366473
  H      -3.007458      4.518395     -2.248287
  H      -2.021662      3.737494     -0.082838
  H      -2.903153      6.072044      5.360230
  H      -4.056816      5.298969      6.453738
  H      -5.346917      6.182156      4.746045
  H      -5.335331      4.461050      4.388642
  H      -3.233764      5.051092      2.853001
  H      -3.918324      6.702359      2.876034
  H      -6.070600      7.447035      3.123150
  H      -8.309306      8.309485      2.573545
  H     -10.155932      5.550140     -0.603600
  H      -9.399989      3.402435     -1.701326
  H      -7.172619      2.451443     -1.073182
  H      -6.934608      1.085302      6.857314
  H      -6.645346      1.850806      5.275538
  H      -6.480432      4.097662      6.714744
  H      -7.418537      3.184101      7.910900
  H      -9.022326      4.337914      6.515244
  H      -9.076547      2.619735      6.019222
  H     -10.099114      5.503530      4.150987
  H     -11.806068      5.049383      2.385234
  H     -10.545855      1.201837      0.215570
  H      -8.594769     -0.386840      0.469778
  H      -6.943491      0.012185      2.306320
  N      -4.569846      2.283129      3.556703
  N      -4.957127      2.342051      2.481833
100
Coordinates from ORCA-job orca E -6483.702470189448
  N      -2.708292      0.347429      4.912851
  Mo     -3.599768      2.094787      5.259769
  N      -5.032687      1.937721      6.577538
  C      -4.649145      1.854901      7.991625
  C      -3.251988      1.255974      8.106537
  N      -2.349253      1.877473      7.100591
  C      -1.209452      0.994180      6.743978
  C      -1.661785     -0.124401      5.811804
  C      -1.871565      3.224125      7.503166
  C      -1.608410      4.022212      6.228957
  N      -2.788521      3.952803      5.364620
  H      -0.774062     -0.483856      5.255808
  H      -2.024884     -0.997259      6.395197
  H      -0.462745      1.621705      6.239746
  H      -0.739400      0.580909      7.655205
  H      -1.363941      5.065743      6.493514
  H      -0.723555      3.619244      5.706765
  H      -2.673282      3.710305      8.076340
  H      -0.981258      3.140211      8.153948
  H      -5.354170      1.212960      8.553549
  H      -4.685947      2.850637      8.476839
  H      -3.305700      0.184915      7.865868
  H      -2.839738      1.362823      9.126540
  C      -3.352300     -0.748387      4.189740
  C      -2.595452     -1.192333      2.925821
  C      -2.773566     -0.220783      1.775010
  O      -4.137735     -0.416344      1.299135
  C      -4.554913      0.048014      0.106362
  C      -5.581646     -0.667588     -0.500819
  C      -6.115278     -0.236170     -1.724609
  N      -5.723763      0.849105     -2.380523
  C      -4.733113      1.581853     -1.793901
  C      -4.323662      2.785958     -2.420160
  C      -3.361534      3.568320     -1.825831
  C      -2.786482      3.129389     -0.610893
  N      -3.119348      2.007468      0.001774
  C      -4.093896      1.237282     -0.553952
  C      -3.576706      5.187066      5.437505
  C      -4.692246      5.333562      4.404612
  C      -4.146516      5.609122      3.004754
  O      -5.017131      5.174205      1.940595
  C      -6.211137      5.757201      1.771461
  C      -6.661813      6.908594      2.404869
  C      -7.942653      7.409919      2.093304
  N      -8.782219      6.884043      1.215020
  C      -8.355526      5.749904      0.579718
  C      -9.203510      5.131684     -0.371517
  C      -8.793055      3.970790     -0.987402
  C      -7.532024      3.427186     -0.651804
  N      -6.698717      3.976561      0.216873
  C      -7.091423      5.125230      0.825595
  C      -6.470007      1.962578      6.350946
  C      -7.156543      3.260280      6.822848
  C      -8.435141      3.531757      6.054659
  O      -8.065833      3.888245      4.698548
  C      -9.033722      3.681060      3.758060
  C     -10.063487      4.579194      3.561702
  C     -11.015877      4.326160      2.549385
  N     -10.987907      3.283994      1.733333
  C      -9.951464      2.408721      1.886885
  C      -9.824540      1.317823      0.992787
  C      -8.758058      0.456528      1.129260
  C      -7.830371      0.671447      2.176489
  N      -7.920867      1.660826      3.049958
  C      -8.946850      2.540596      2.900495
  H      -3.465208     -1.613766      4.872464
  H      -4.368616     -0.445340      3.895227
  H      -1.521206     -1.294762      3.147134
  H      -2.954137     -2.185716      2.609948
  H      -2.081352     -0.425598      0.945198
  H      -2.639590      0.819485      2.092229
  H      -5.955815     -1.570825     -0.017416
  H      -6.912316     -0.823911     -2.192503
  H      -4.807808      3.064328     -3.357605
  H      -3.040379      4.510615     -2.271906
  H      -2.016403      3.736066     -0.122740
  H      -2.891189      6.053927      5.337939
  H      -4.038457      5.288821      6.443010
  H      -5.340733      6.156406      4.737791
  H      -5.324213      4.435446      4.381742
  H      -3.233342      5.022448      2.838227
  H      -3.906319      6.678220      2.869587
  H      -6.048651      7.436024      3.133161
  H      -8.285511      8.315059      2.606887
  H     -10.173075      5.588485     -0.574895
  H      -9.431243      3.454802     -1.706460
  H      -7.195302      2.497028     -1.118913
  H      -6.948712      1.101355      6.862027
  H      -6.647973      1.847965      5.273121
  H      -6.468135      4.108481      6.674910
  H      -7.397652      3.221439      7.897397
  H      -9.012290      4.359634      6.501390
  H      -9.078825      2.635371      6.028304
  H     -10.122208      5.487910      4.161737
  H     -11.834343      5.037571      2.400812
  H     -10.565318      1.210728      0.198487
  H      -8.610956     -0.376443      0.440724
  H      -6.961586      0.010670      2.281265
  N      -4.568682      2.256671      3.561705
  N      -4.970396      2.306242      2.491163
100
Coordinates from ORCA-job orca E -6483.703804284289
  N      -2.690203      0.336477      4.926872
  Mo     -3.596600      2.078131      5.266540
  N      -5.037025      1.931065      6.578673
  C      -4.661703      1.858457      7.995523
  C      -3.265020      1.261080      8.123927
  N      -2.356590      1.873338      7.117676
  C      -1.215435      0.986639      6.773518
  C      -1.668126     -0.138651      5.852175
  C      -1.881778      3.223342      7.511379
  C      -1.603638      4.007022      6.231624
  N      -2.777171      3.933616      5.358240
  H      -0.777743     -0.523330      5.317641
  H      -2.057000     -0.995371      6.443004
  H      -0.468128      1.608786      6.263600
  H      -0.747351      0.582065      7.689678
  H      -1.356781      5.052268      6.487019
  H      -0.716773      3.595102      5.720153
  H      -2.690969      3.716528      8.067980
  H      -1.000584      3.146276      8.175398
  H      -5.369957      1.219697      8.557154
  H      -4.702542      2.857135      8.474390
  H      -3.317220      0.187644      7.893972
  H      -2.858846      1.378198      9.145197
  C      -3.307383     -0.759488      4.180189
  C      -2.526301     -1.168542      2.919172
  C      -2.729729     -0.194763      1.774350
  O      -4.086330     -0.428336      1.295448
  C      -4.529026      0.040744      0.114306
  C      -5.564567     -0.679614     -0.472825
  C      -6.128490     -0.247822     -1.682290
  N      -5.757853      0.841380     -2.343967
  C      -4.757219      1.576972     -1.778471
  C      -4.365725      2.782388     -2.413792
  C      -3.393413      3.568202     -1.841273
  C      -2.791903      3.132772     -0.638008
  N      -3.107863      2.010310     -0.017180
  C      -4.089220      1.234356     -0.552971
  C      -3.565842      5.168228      5.424872
  C      -4.683675      5.307642      4.393651
  C      -4.140197      5.583241      2.993129
  O      -5.017807      5.158208      1.930654
  C      -6.206698      5.753802      1.767571
  C      -6.644928      6.904591      2.410688
  C      -7.924856      7.416084      2.112095
  N      -8.775190      6.899804      1.238518
  C      -8.358939      5.768977      0.590345
  C      -9.217665      5.163019     -0.358924
  C      -8.815255      4.009207     -0.993301
  C      -7.550824      3.460841     -0.678981
  N      -6.708917      3.997290      0.190047
  C      -7.095004      5.137376      0.819053
  C      -6.473720      1.967893      6.346692
  C      -7.146877      3.277760      6.803155
  C      -8.431459      3.545781      6.043396
  O      -8.070229      3.876926      4.679193
  C      -9.046176      3.672677      3.747092
  C     -10.080998      4.567753      3.562592
  C     -11.035880      4.318711      2.551617
  N     -11.006464      3.283433      1.726643
  C      -9.967906      2.409228      1.871721
  C      -9.841921      1.323010      0.971649
  C      -8.776030      0.460308      1.103381
  C      -7.848838      0.668242      2.152539
  N      -7.936746      1.654479      3.029717
  C      -8.961289      2.536542      2.883898
  H      -3.414368     -1.637078      4.847872
  H      -4.325156     -0.470127      3.877374
  H      -1.450727     -1.234968      3.147569
  H      -2.848332     -2.171186      2.592892
  H      -2.029375     -0.371517      0.945130
  H      -2.628727      0.846688      2.099486
  H      -5.922571     -1.586146      0.016665
  H      -6.933565     -0.838103     -2.132998
  H      -4.871302      3.058836     -3.340473
  H      -3.084732      4.511192     -2.294684
  H      -2.013692      3.742722     -0.167111
  H      -2.880495      6.034312      5.316696
  H      -4.023333      5.277741      6.431525
  H      -5.335618      6.128067      4.725844
  H      -5.311951      4.406981      4.372267
  H      -3.231733      4.990618      2.822258
  H      -3.892493      6.651051      2.860868
  H      -6.023710      7.423519      3.138180
  H      -8.258087      8.320075      2.634043
  H     -10.188159      5.623929     -0.548313
  H      -9.461191      3.503935     -1.713052
  H      -7.217742      2.538938     -1.165024
  H      -6.963470      1.117488      6.865402
  H      -6.649780      1.844125      5.269586
  H      -6.454162      4.117999      6.632092
  H      -7.375562      3.259838      7.880970
  H      -8.998791      4.384205      6.482952
  H      -9.081329      2.653443      6.036648
  H     -10.141354      5.471914      4.169362
  H     -11.857616      5.028129      2.411311
  H     -10.584340      1.219326      0.178390
  H      -8.629710     -0.369520      0.410832
  H      -6.983010      0.003669      2.256429
  N      -4.565401      2.227255      3.567837
  N      -4.981404      2.267964      2.502444
100
Coordinates from ORCA-job orca E -6483.704968461998
  N      -2.676876      0.323802      4.938962
  Mo     -3.595452      2.061022      5.271055
  N      -5.041288      1.924244      6.579324
  C      -4.671632      1.862676      7.998205
  C      -3.275358      1.266856      8.138276
  N      -2.362724      1.869464      7.130362
  C      -1.221287      0.979199      6.796411
  C      -1.675792     -0.152903      5.886505
  C      -1.889266      3.222552      7.514221
  C      -1.601936      3.993235      6.228787
  N      -2.771944      3.915595      5.350869
  H      -0.784301     -0.559633      5.370374
  H      -2.086168     -0.994650      6.484328
  H      -0.474993      1.596060      6.278722
  H      -0.752622      0.583892      7.716277
  H      -1.352068      5.040003      6.474757
  H      -0.714914      3.573369      5.724276
  H      -2.702933      3.721748      8.058927
  H      -1.014078      3.152025      8.186856
  H      -5.382245      1.227764      8.561293
  H      -4.715226      2.864693      8.469787
  H      -3.326293      0.191030      7.919832
  H      -2.874038      1.394943      9.160076
  C      -3.267420     -0.772187      4.170334
  C      -2.464650     -1.146100      2.912065
  C      -2.691808     -0.171086      1.772639
  O      -4.039967     -0.438697      1.289430
  C      -4.503253      0.038058      0.119934
  C      -5.546129     -0.683056     -0.453838
  C      -6.131692     -0.247341     -1.651090
  N      -5.773860      0.844867     -2.314979
  C      -4.763838      1.578719     -1.764530
  C      -4.379859      2.783061     -2.406350
  C      -3.396738      3.566875     -1.850047
  C      -2.778297      3.131527     -0.655533
  N      -3.086852      2.010098     -0.028985
  C      -4.076355      1.234597     -0.550217
  C      -3.561296      5.150028      5.411770
  C      -4.680850      5.281603      4.381641
  C      -4.139502      5.556033      2.980384
  O      -5.024010      5.139801      1.920055
  C      -6.207335      5.748133      1.761327
  C      -6.632802      6.899767      2.411336
  C      -7.910924      7.421678      2.123355
  N      -8.771189      6.914238      1.254486
  C      -8.365747      5.785336      0.596224
  C      -9.234550      5.190509     -0.350685
  C      -8.840952      4.041893     -0.999824
  C      -7.574499      3.488277     -0.703675
  N      -6.724522      4.012842      0.165159
  C      -7.103278      5.145995      0.810852
  C      -6.477524      1.973590      6.344569
  C      -7.134959      3.295891      6.787133
  C      -8.425969      3.563402      6.037811
  O      -8.074543      3.865822      4.664929
  C      -9.059880      3.664692      3.742848
  C     -10.098726      4.557737      3.570234
  C     -11.057446      4.312703      2.562042
  N     -11.028963      3.283346      1.729513
  C      -9.989562      2.408914      1.866227
  C      -9.867062      1.326150      0.961464
  C      -8.803344      0.460178      1.088887
  C      -7.875029      0.661261      2.138333
  N      -7.957714      1.645921      3.017656
  C      -8.979640      2.531579      2.875513
  H      -3.366439     -1.661523      4.823148
  H      -4.286965     -0.496930      3.860926
  H      -1.389090     -1.177016      3.147764
  H      -2.750138     -2.156414      2.575587
  H      -1.984377     -0.322218      0.944598
  H      -2.621296      0.870909      2.104555
  H      -5.893773     -1.592160      0.038242
  H      -6.943898     -0.836722     -2.089954
  H      -4.899249      3.060313     -3.325086
  H      -3.092589      4.508642     -2.308916
  H      -1.991768      3.740146     -0.197218
  H      -2.876548      6.015619      5.295716
  H      -4.015444      5.266465      6.419122
  H      -5.337100      6.099262      4.711752
  H      -5.304374      4.377881      4.361963
  H      -3.236010      4.957184      2.805840
  H      -3.884076      6.622240      2.849924
  H      -6.003747      7.410990      3.137411
  H      -8.234418      8.325702      2.651248
  H     -10.205162      5.655968     -0.527725
  H      -9.494651      3.545637     -1.718773
  H      -7.246219      2.572380     -1.204403
  H      -6.977772      1.134350      6.871314
  H      -6.653825      1.841219      5.268573
  H      -6.437141      4.126544      6.592443
  H      -7.349653      3.298506      7.867890
  H      -8.979796      4.414719      6.469624
  H      -9.084685      2.677674      6.053195
  H     -10.158696      5.458232      4.182425
  H     -11.881240      5.021221      2.429608
  H     -10.611479      1.226539      0.169598
  H      -8.660086     -0.367714      0.393470
  H      -7.012789     -0.007949      2.240880
  N      -4.566316      2.197084      3.572940
  N      -4.998744      2.230018      2.513437
100
Coordinates from ORCA-job orca E -6483.705977192558
  N      -2.661506      0.310434      4.953355
  Mo     -3.592014      2.042923      5.278109
  N      -5.045021      1.916249      6.580292
  C      -4.682483      1.866067      8.001573
  C      -3.286748      1.272110      8.154827
  N      -2.368683      1.864892      7.146238
  C      -1.227033      0.970798      6.823205
  C      -1.682557     -0.167687      5.923710
  C      -1.896234      3.220955      7.520463
  C      -1.600423      3.979196      6.229713
  N      -2.766855      3.897672      5.347012
  H      -0.789614     -0.595201      5.427081
  H      -2.114427     -0.994824      6.526844
  H      -0.481310      1.582267      6.298245
  H      -0.758320      0.584798      7.746988
  H      -1.347373      5.027302      6.466687
  H      -0.713175      3.551744      5.732042
  H      -2.713475      3.725750      8.054729
  H      -1.026348      3.156567      8.200624
  H      -5.395891      1.235069      8.565644
  H      -4.729315      2.871543      8.465502
  H      -3.335963      0.193944      7.948054
  H      -2.891521      1.411348      9.177525
  C      -3.221985     -0.785549      4.161486
  C      -2.396104     -1.123784      2.908016
  C      -2.646217     -0.150107      1.772135
  O      -3.984828     -0.454184      1.284766
  C      -4.475483      0.028658      0.129339
  C      -5.527066     -0.696611     -0.423886
  C      -6.144416     -0.258842     -1.603855
  N      -5.809535      0.838732     -2.271036
  C      -4.790296      1.575283     -1.742149
  C      -4.426830      2.782599     -2.390303
  C      -3.433979      3.569638     -1.856532
  C      -2.786840      3.135801     -0.676941
  N      -3.075952      2.011996     -0.045024
  C      -4.071902      1.230966     -0.545541
  C      -3.556651      5.132072      5.401028
  C      -4.676502      5.256202      4.370397
  C      -4.136357      5.529681      2.968717
  O      -5.028005      5.123464      1.910261
  C      -6.205555      5.744630      1.756387
  C      -6.618763      6.895988      2.414754
  C      -7.894889      7.428548      2.137556
  N      -8.764723      6.930839      1.272559
  C      -8.369596      5.804943      0.602874
  C      -9.247521      5.222821     -0.343462
  C      -8.861603      4.081420     -1.009887
  C      -7.593562      3.522127     -0.731618
  N      -6.736780      4.033169      0.138939
  C      -7.108630      5.158021      0.802904
  C      -6.480442      1.977639      6.340268
  C      -7.123809      3.311531      6.768148
  C      -8.420070      3.578644      6.027253
  O      -8.076331      3.850872      4.646539
  C      -9.069152      3.655675      3.732141
  C     -10.111907      4.546752      3.571649
  C     -11.071933      4.308574      2.563046
  N     -11.042565      3.287457      1.720227
  C     -10.002597      2.412474      1.848662
  C      -9.882201      1.334706      0.937494
  C      -8.820774      0.465401      1.060622
  C      -7.893307      0.657497      2.112524
  N      -7.972594      1.638463      2.996067
  C      -8.991536      2.528041      2.857557
  H      -3.311871     -1.686211      4.799553
  H      -4.243135     -0.526342      3.844082
  H      -1.322264     -1.117502      3.153572
  H      -2.642128     -2.141321      2.562170
  H      -1.932005     -0.276942      0.946086
  H      -2.606534      0.892087      2.108606
  H      -5.857549     -1.609751      0.072583
  H      -6.964209     -0.850590     -2.025170
  H      -4.968891      3.059364     -3.296042
  H      -3.144064      4.513097     -2.321179
  H      -1.992499      3.747196     -0.236001
  H      -2.872096      5.996992      5.278526
  H      -4.009284      5.255245      6.408266
  H      -5.337805      6.070694      4.697935
  H      -5.294841      4.349192      4.351502
  H      -3.238345      4.923748      2.790509
  H      -3.872155      6.594043      2.840424
  H      -5.982180      7.398400      3.140376
  H      -8.209019      8.331728      2.672586
  H     -10.217908      5.693387     -0.508061
  H      -9.521556      3.596445     -1.730811
  H      -7.269139      2.614007     -1.249272
  H      -6.991624      1.149077      6.873349
  H      -6.654973      1.837227      5.265017
  H      -6.421178      4.132473      6.551379
  H      -7.325951      3.334136      7.851051
  H      -8.960337      4.443395      6.449398
  H      -9.088088      2.700539      6.064481
  H     -10.173686      5.441397      4.192251
  H     -11.897754      5.016316      2.438878
  H     -10.627862      1.239968      0.146176
  H      -8.679694     -0.359618      0.361244
  H      -7.035494     -0.017060      2.214442
  N      -4.563297      2.166140      3.580476
  N      -5.010026      2.193318      2.527070
100
Coordinates from ORCA-job orca E -6483.706845838855
  N      -2.655287      0.294501      4.963480
  Mo     -3.592338      2.025325      5.279018
  N      -5.048031      1.910848      6.580251
  C      -4.687268      1.874357      8.002444
  C      -3.292050      1.281702      8.164955
  N      -2.371589      1.862431      7.151873
  C      -1.232361      0.962431      6.837508
  C      -1.692974     -0.183077      5.950982
  C      -1.896850      3.220989      7.513567
  C      -1.600308      3.967141      6.215994
  N      -2.768202      3.880901      5.335753
  H      -0.800989     -0.629637      5.469638
  H      -2.142246     -0.995509      6.561223
  H      -0.487765      1.566466      6.302394
  H      -0.761619      0.586289      7.764242
  H      -1.343313      5.016533      6.442744
  H      -0.715515      3.532496      5.720226
  H      -2.713439      3.731846      8.043104
  H      -1.027604      3.161825      8.194934
  H      -5.401833      1.248960      8.571285
  H      -4.734668      2.884202      8.456663
  H      -3.340963      0.201062      7.971860
  H      -2.899434      1.433451      9.186801
  C      -3.191447     -0.801179      4.154454
  C      -2.347964     -1.110265      2.905312
  C      -2.610596     -0.136050      1.772569
  O      -3.941922     -0.458812      1.279181
  C      -4.447160      0.037654      0.136365
  C      -5.509508     -0.678894     -0.408087
  C      -6.140333     -0.230011     -1.576330
  N      -5.806943      0.868883     -2.242151
  C      -4.775095      1.594834     -1.723750
  C      -4.407033      2.799007     -2.374814
  C      -3.399392      3.574991     -1.853010
  C      -2.742988      3.133692     -0.681624
  N      -3.035930      2.012048     -0.047437
  C      -4.044698      1.240942     -0.537230
  C      -3.558284      5.114870      5.383670
  C      -4.680143      5.229480      4.354235
  C      -4.143278      5.498764      2.950888
  O      -5.042779      5.099252      1.896445
  C      -6.214076      5.733183      1.745438
  C      -6.613614      6.887571      2.406808
  C      -7.886900      7.430877      2.137925
  N      -8.766290      6.940689      1.278544
  C      -8.383080      5.814446      0.602745
  C      -9.270556      5.242244     -0.340531
  C      -8.894731      4.103588     -1.017110
  C      -7.627014      3.537069     -0.752348
  N      -6.762499      4.037424      0.117033
  C      -7.125194      5.158515      0.792184
  C      -6.483335      1.982371      6.340828
  C      -7.111782      3.327275      6.756547
  C      -8.414055      3.595949      6.026566
  O      -8.081122      3.835627      4.637727
  C      -9.084001      3.646138      3.734190
  C     -10.129046      4.536947      3.586012
  C     -11.093894      4.304363      2.580879
  N     -11.068585      3.288678      1.731311
  C     -10.029728      2.411315      1.851203
  C      -9.916619      1.335375      0.936931
  C      -8.859183      0.460653      1.055585
  C      -7.928460      0.645723      2.105675
  N      -7.999309      1.626353      2.990162
  C      -9.013987      2.521208      2.855747
  H      -3.273659     -1.711012      4.780100
  H      -4.213604     -0.553980      3.831292
  H      -1.276824     -1.076787      3.160329
  H      -2.564239     -2.131606      2.551241
  H      -1.890921     -0.247658      0.949225
  H      -2.589007      0.905595      2.112899
  H      -5.838891     -1.592856      0.087437
  H      -6.969814     -0.813675     -1.989689
  H      -4.956953      3.082615     -3.273604
  H      -3.105065      4.515531     -2.320606
  H      -1.937338      3.736186     -0.249561
  H      -2.874572      5.979244      5.253193
  H      -4.008548      5.244778      6.391076
  H      -5.346136      6.041207      4.678544
  H      -5.292925      4.318686      4.338824
  H      -3.251011      4.885571      2.769720
  H      -3.870896      6.560876      2.821353
  H      -5.968843      7.383650      3.129410
  H      -8.190636      8.335807      2.675826
  H     -10.239545      5.718882     -0.495202
  H      -9.562005      3.626705     -1.736585
  H      -7.309805      2.631847     -1.279450
  H      -7.002235      1.164246      6.882395
  H      -6.660461      1.833521      5.267202
  H      -6.404710      4.138124      6.518070
  H      -7.299953      3.368083      7.841294
  H      -8.937980      4.475301      6.438826
  H      -9.092533      2.727346      6.087786
  H     -10.188614      5.428015      4.211864
  H     -11.920036      5.013002      2.464675
  H     -10.665551      1.244924      0.148325
  H      -8.724490     -0.364108      0.354755
  H      -7.075604     -0.034980      2.205746
  N      -4.568841      2.134229      3.583887
  N      -5.034068      2.154812      2.537725
100
Coordinates from ORCA-job orca E -6483.707595990109
  N      -2.640691      0.280776      4.977504
  Mo     -3.587543      2.007143      5.285420
  N      -5.050232      1.902172      6.580733
  C      -4.695386      1.878491      8.004863
  C      -3.300549      1.288614      8.179958
  N      -2.375184      1.859160      7.165531
  C      -1.236485      0.954624      6.861954
  C      -1.698157     -0.196717      5.984753
  C      -1.900008      3.220315      7.516887
  C      -1.599689      3.954990      6.213656
  N      -2.766320      3.864278      5.331814
  H      -0.805297     -0.660664      5.521776
  H      -2.166514     -0.995489      6.598717
  H      -0.491509      1.552560      6.320283
  H      -0.766498      0.587289      7.792618
  H      -1.339912      5.005615      6.431655
  H      -0.715419      3.513849      5.722623
  H      -2.717275      3.736324      8.040491
  H      -1.032693      3.166211      8.201202
  H      -5.412016      1.257490      8.576041
  H      -4.745647      2.892233      8.450113
  H      -3.347413      0.205741      7.999287
  H      -2.913460      1.452071      9.202125
  C      -3.146199     -0.814375      4.147899
  C      -2.281144     -1.090104      2.905801
  C      -2.561846     -0.118117      1.775333
  O      -3.882340     -0.473639      1.276453
  C      -4.416530      0.028614      0.149751
  C      -5.486255     -0.693746     -0.372897
  C      -6.149792     -0.244225     -1.522189
  N      -5.842405      0.861023     -2.190179
  C      -4.803418      1.592082     -1.694101
  C      -4.460400      2.801198     -2.349541
  C      -3.444379      3.582052     -1.851823
  C      -2.755557      3.141491     -0.699006
  N      -3.025176      2.015826     -0.061187
  C      -4.039972      1.238260     -0.528062
  C      -3.557034      5.097790      5.372084
  C      -4.678687      5.203807      4.341496
  C      -4.142253      5.470838      2.937723
  O      -5.048516      5.082024      1.884909
  C      -6.213397      5.728681      1.737907
  C      -6.601777      6.882331      2.407318
  C      -7.872344      7.436273      2.147352
  N      -8.759495      6.956371      1.289979
  C      -8.385523      5.833551      0.603257
  C      -9.279897      5.275125     -0.341872
  C      -8.910756      4.144123     -1.034926
  C      -7.643155      3.570704     -0.784273
  N      -6.774054      4.056305      0.089040
  C      -7.130125      5.169541      0.780794
  C      -6.484762      1.981357      6.336238
  C      -7.104128      3.333827      6.741695
  C      -8.410039      3.603216      6.018188
  O      -8.082824      3.814124      4.623777
  C      -9.091962      3.637051      3.726018
  C     -10.137699      4.529429      3.590484
  C     -11.102882      4.309411      2.582772
  N     -11.079147      3.303916      1.720882
  C     -10.043005      2.422146      1.832187
  C      -9.934827      1.352311      0.910010
  C      -8.883112      0.470184      1.024337
  C      -7.953710      0.641312      2.078048
  N      -8.018772      1.616991      2.968289
  C      -9.027010      2.519548      2.837698
  H      -3.218016     -1.733776      4.760502
  H      -4.169290     -0.583542      3.815949
  H      -1.214360     -1.022943      3.172762
  H      -2.459808     -2.116014      2.544046
  H      -1.835793     -0.209525      0.955166
  H      -2.566706      0.922901      2.118616
  H      -5.796556     -1.612450      0.126256
  H      -6.985411     -0.832060     -1.917045
  H      -5.035202      3.084377     -3.232832
  H      -3.167941      4.525728     -2.324147
  H      -1.942593      3.747683     -0.285730
  H      -2.873852      5.961700      5.235922
  H      -4.007293      5.233975      6.378696
  H      -5.350148      6.012228      4.662519
  H      -5.285807      4.289350      4.327601
  H      -3.256398      4.849150      2.753632
  H      -3.859847      6.530523      2.809470
  H      -5.950601      7.369218      3.130443
  H      -8.167560      8.339926      2.692263
  H     -10.247613      5.757769     -0.486076
  H      -9.582379      3.679522     -1.758435
  H      -7.329420      2.673484     -1.327530
  H      -7.011442      1.170526      6.881225
  H      -6.659567      1.827127      5.262993
  H      -6.394245      4.137582      6.488205
  H      -7.282936      3.388132      7.827418
  H      -8.921058      4.494783      6.420273
  H      -9.097117      2.742977      6.098111
  H     -10.197539      5.413141      4.226777
  H     -11.928070      5.020632      2.475040
  H     -10.684257      1.270624      0.120847
  H      -8.753186     -0.351330      0.318639
  H      -7.108107     -0.048264      2.177478
  N      -4.563805      2.102451      3.590789
  N      -5.041391      2.119126      2.550484
100
Coordinates from ORCA-job orca E -6483.708240329634
  N      -2.635788      0.264200      4.986671
  Mo     -3.587541      1.989555      5.284149
  N      -5.050448      1.896694      6.581271
  C      -4.693963      1.889404      8.005292
  C      -3.298970      1.302004      8.187288
  N      -2.373358      1.859670      7.165807
  C      -1.237476      0.949194      6.870156
  C      -1.704343     -0.209383      6.006323
  C      -1.894392      3.223157      7.502452
  C      -1.599205      3.945348      6.191046
  N      -2.770620      3.848324      5.316538
  H      -0.813277     -0.688276      5.555412
  H      -2.185321     -0.994728      6.627714
  H      -0.493482      1.539256      6.318428
  H      -0.765355      0.591717      7.803528
  H      -1.336163      4.997474      6.397694
  H      -0.718551      3.497674      5.699418
  H      -2.708039      3.745366      8.025568
  H      -1.023828      3.173752      8.182920
  H      -5.410145      1.274971      8.584130
  H      -4.743870      2.908266      8.438727
  H      -3.345366      0.216711      8.021748
  H      -2.912142      1.479175      9.207243
  C      -3.119483     -0.832130      4.146118
  C      -2.238831     -1.085361      2.910073
  C      -2.524446     -0.112718      1.781566
  O      -3.838640     -0.478496      1.276396
  C      -4.386467      0.040541      0.164436
  C      -5.470622     -0.667698     -0.347880
  C      -6.147848     -0.202247     -1.482487
  N      -5.839868      0.905293     -2.146594
  C      -4.785752      1.621659     -1.661468
  C      -4.437624      2.829786     -2.315708
  C      -3.403891      3.595044     -1.830469
  C      -2.703516      3.140337     -0.690305
  N      -2.977903      2.014969     -0.053736
  C      -4.008548      1.251789     -0.509418
  C      -3.561628      5.081269      5.350885
  C      -4.686897      5.176834      4.323396
  C      -4.154493      5.436286      2.917115
  O      -5.069530      5.054397      1.869465
  C      -6.226747      5.715038      1.724456
  C      -6.599789      6.873651      2.394012
  C      -7.865889      7.440230      2.139822
  N      -8.762385      6.967986      1.287994
  C      -8.401974      5.842538      0.598403
  C      -9.305083      5.294761     -0.344606
  C      -8.947239      4.164732     -1.044954
  C      -7.682828      3.580485     -0.802833
  N      -6.806865      4.054498      0.070255
  C      -7.151754      5.167010      0.768913
  C      -6.485273      1.979435      6.338382
  C      -7.097242      3.338558      6.733642
  C      -8.406644      3.608152      6.016090
  O      -8.086767      3.789501      4.616107
  C      -9.103365      3.624828      3.725420
  C     -10.147117      4.521541      3.601638
  C     -11.115874      4.313466      2.594892
  N     -11.099657      3.314657      1.725094
  C     -10.068850      2.425721      1.828213
  C      -9.972610      1.357716      0.902582
  C      -8.929083      0.465466      1.012272
  C      -7.996028      0.624852      2.064481
  N      -8.048713      1.599625      2.956523
  C      -9.048839      2.511728      2.830622
  H      -3.183394     -1.757415      4.750485
  H      -4.143022     -0.613051      3.807856
  H      -1.176186     -0.998079      3.187666
  H      -2.393999     -2.112839      2.542127
  H      -1.793503     -0.194897      0.964790
  H      -2.539740      0.927255      2.127999
  H      -5.782158     -1.587396      0.148601
  H      -6.995475     -0.778511     -1.868636
  H      -5.022007      3.124819     -3.188745
  H      -3.122545      4.537136     -2.303018
  H      -1.876096      3.733500     -0.287097
  H      -2.879650      5.944506      5.205226
  H      -4.008407      5.224680      6.358027
  H      -5.361506      5.983862      4.640935
  H      -5.289387      4.259260      4.316123
  H      -3.275925      4.805180      2.730651
  H      -3.862131      6.492837      2.785360
  H      -5.940058      7.354575      3.113323
  H      -8.149387      8.347146      2.685497
  H     -10.269289      5.786226     -0.482410
  H      -9.624769      3.709920     -1.769144
  H      -7.377786      2.684603     -1.353278
  H      -7.015204      1.175662      6.890592
  H      -6.662152      1.817246      5.266770
  H      -6.385554      4.136322      6.466822
  H      -7.267969      3.404837      7.819943
  H      -8.904483      4.511982      6.407033
  H      -9.102009      2.756740      6.115592
  H     -10.203132      5.400108      4.245357
  H     -11.937940      5.029447      2.495112
  H     -10.725938      1.283439      0.116461
  H      -8.809674     -0.356327      0.305004
  H      -7.159601     -0.075573      2.162586
  N      -4.572421      2.068620      3.593982
  N      -5.068777      2.079363      2.562069
100
Coordinates from ORCA-job orca E -6483.708772119807
  N      -2.627847      0.249830      4.996837
  Mo     -3.584811      1.973168      5.284638
  N      -5.051407      1.890930      6.579868
  C      -4.696534      1.897952      8.004286
  C      -3.302294      1.312002      8.195218
  N      -2.374089      1.858409      7.170098
  C      -1.239881      0.942563      6.884158
  C      -1.708767     -0.221303      6.029207
  C      -1.892350      3.223870      7.495255
  C      -1.598509      3.935143      6.177206
  N      -2.771774      3.832740      5.305701
  H      -0.818306     -0.712565      5.590768
  H      -2.202297     -0.995545      6.654652
  H      -0.494545      1.525897      6.326999
  H      -0.769197      0.592604      7.821072
  H      -1.333152      4.988483      6.374602
  H      -0.719649      3.481652      5.687708
  H      -2.703715      3.751520      8.016459
  H      -1.020164      3.178110      8.173843
  H      -5.413801      1.289939      8.588578
  H      -4.746362      2.921368      8.426811
  H      -3.348229      0.224821      8.042360
  H      -2.917809      1.500556      9.213993
  C      -3.087731     -0.845897      4.142459
  C      -2.189297     -1.074547      2.914402
  C      -2.481449     -0.100230      1.788703
  O      -3.785647     -0.484116      1.272936
  C      -4.351801      0.046429      0.175762
  C      -5.441968     -0.660401     -0.325773
  C      -6.138023     -0.187733     -1.445574
  N      -5.842737      0.925436     -2.106024
  C      -4.781990      1.639572     -1.632680
  C      -4.443886      2.850950     -2.285843
  C      -3.400567      3.612153     -1.815028
  C      -2.681258      3.150559     -0.689576
  N      -2.946909      2.022680     -0.053497
  C      -3.985738      1.262577     -0.495739
  C      -3.563637      5.064954      5.332027
  C      -4.690684      5.149346      4.305108
  C      -4.160020      5.402371      2.897288
  O      -5.081709      5.028297      1.852481
  C      -6.231728      5.701792      1.708828
  C      -6.592511      6.862620      2.381337
  C      -7.854272      7.440819      2.131931
  N      -8.757621      6.977631      1.282321
  C      -8.407908      5.852076      0.587433
  C      -9.317473      5.315710     -0.355985
  C      -8.968556      4.188200     -1.064776
  C      -7.706915      3.594604     -0.830604
  N      -6.826396      4.056305      0.044432
  C      -7.162497      5.166224      0.751721
  C      -6.486099      1.977296      6.336707
  C      -7.093439      3.339872      6.728452
  C      -8.405676      3.609644      6.016459
  O      -8.092277      3.765487      4.612599
  C      -9.116757      3.616868      3.729660
  C     -10.156609      4.519938      3.618059
  C     -11.129403      4.325852      2.612350
  N     -11.122276      3.334251      1.734095
  C     -10.098150      2.436599      1.828550
  C     -10.014158      1.371791      0.898028
  C      -8.980167      0.467956      1.003012
  C      -8.044201      0.613001      2.054762
  N      -8.084140      1.585668      2.949654
  C      -9.074589      2.508718      2.828225
  H      -3.144183     -1.777396      4.737814
  H      -4.110649     -0.638848      3.795041
  H      -1.131937     -0.966385      3.204766
  H      -2.318480     -2.102840      2.538877
  H      -1.743185     -0.167713      0.977194
  H      -2.513612      0.937784      2.140240
  H      -5.744089     -1.584383      0.168533
  H      -6.990710     -0.762626     -1.822419
  H      -5.042729      3.151387     -3.147123
  H      -3.125967      4.556018     -2.287982
  H      -1.845219      3.739819     -0.298627
  H      -2.883024      5.927823      5.178494
  H      -4.009168      5.215615      6.338670
  H      -5.369437      5.954510      4.618278
  H      -5.287980      4.228273      4.303722
  H      -3.288266      4.762343      2.709731
  H      -3.857778      6.455899      2.763579
  H      -5.926571      7.336220      3.099781
  H      -8.128362      8.348822      2.680575
  H     -10.278762      5.814552     -0.487524
  H      -9.650801      3.742760     -1.790343
  H      -7.407753      2.701535     -1.389418
  H      -7.018686      1.177059      6.891456
  H      -6.663467      1.812388      5.265695
  H      -6.381209      4.134824      6.454928
  H      -7.258591      3.411844      7.815218
  H      -8.892941      4.523172      6.397928
  H      -9.107103      2.765343      6.132071
  H     -10.207071      5.393256      4.269316
  H     -11.946666      5.048390      2.520573
  H     -10.769876      1.307821      0.113331
  H      -8.871698     -0.352947      0.292939
  H      -7.217051     -0.098596      2.150627
  N      -4.570376      2.037607      3.594944
  N      -5.077761      2.043642      2.568114
100
Coordinates from ORCA-job orca E -6483.709206135768
  N      -2.622348      0.233403      5.007865
  Mo     -3.584325      1.955383      5.284728
  N      -5.049365      1.886482      6.583436
  C      -4.690902      1.912194      8.006892
  C      -3.296657      1.327850      8.203096
  N      -2.369131      1.860415      7.169531
  C      -1.237334      0.938999      6.891937
  C      -1.710272     -0.231849      6.049425
  C      -1.882634      3.228032      7.478547
  C      -1.595754      3.925229      6.151416
  N      -2.774767      3.815859      5.288980
  H      -0.821731     -0.734240      5.619989
  H      -2.211981     -0.995000      6.681977
  H      -0.492132      1.514761      6.326624
  H      -0.765710      0.598273      7.831752
  H      -1.327382      4.980159      6.336039
  H      -0.720929      3.464692      5.661278
  H      -2.689086      3.762659      8.000253
  H      -1.005737      3.186587      8.151244
  H      -5.407474      1.312873      8.601035
  H      -4.738502      2.941389      8.415371
  H      -3.343140      0.238618      8.065552
  H      -2.910564      1.529966      9.218688
  C      -3.059670     -0.864069      4.144001
  C      -2.143869     -1.072798      2.924925
  C      -2.441380     -0.100012      1.799460
  O      -3.735203     -0.501737      1.273895
  C      -4.320901      0.045801      0.195853
  C      -5.423020     -0.651320     -0.293065
  C      -6.140295     -0.161537     -1.391741
  N      -5.854359      0.959150     -2.043779
  C      -4.781088      1.662872     -1.583540
  C      -4.449365      2.879643     -2.229714
  C      -3.390387      3.628338     -1.773854
  C      -2.650100      3.149596     -0.669342
  N      -2.910611      2.017178     -0.039035
  C      -3.963295      1.268353     -0.467844
  C      -3.565890      5.048461      5.309778
  C      -4.699382      5.122937      4.289563
  C      -4.175556      5.364699      2.877648
  O      -5.109179      5.000377      1.840111
  C      -6.249544      5.690611      1.699172
  C      -6.592499      6.856922      2.371569
  C      -7.847756      7.451016      2.126281
  N      -8.760363      6.998453      1.280705
  C      -8.426575      5.869319      0.583720
  C      -9.344180      5.346459     -0.359627
  C      -9.008331      4.218976     -1.074787
  C      -7.752900      3.610205     -0.845455
  N      -6.866578      4.057590      0.031272
  C      -7.189091      5.168360      0.743496
  C      -6.484171      1.972791      6.340343
  C      -7.089833      3.339540      6.720107
  C      -8.402241      3.606695      6.006595
  O      -8.091308      3.732563      4.599058
  C      -9.119532      3.600955      3.718351
  C     -10.155032      4.510686      3.618291
  C     -11.129236      4.333796      2.610782
  N     -11.129997      3.351788      1.721962
  C     -10.112844      2.445327      1.807046
  C     -10.041006      1.385831      0.869342
  C      -9.015972      0.471155      0.966604
  C      -8.076898      0.600029      2.017674
  N      -8.105075      1.567527      2.918558
  C      -9.086907      2.500895      2.805539
  H      -3.108303     -1.799460      4.733772
  H      -4.081792     -0.670009      3.787145
  H      -1.092200     -0.944754      3.227889
  H      -2.248542     -2.102185      2.544810
  H      -1.695943     -0.154385      0.993529
  H      -2.490284      0.936313      2.154533
  H      -5.718789     -1.580245      0.195836
  H      -7.003126     -0.728182     -1.757893
  H      -5.064830      3.193957     -3.074164
  H      -3.119546      4.575366     -2.242726
  H      -1.800768      3.728315     -0.291242
  H      -2.886204      5.909693      5.143750
  H      -4.004544      5.208065      6.318044
  H      -5.378183      5.929157      4.599751
  H      -5.293846      4.200641      4.299632
  H      -3.314016      4.712044      2.686269
  H      -3.860046      6.413709      2.738969
  H      -5.917665      7.322834      3.086779
  H      -8.108144      8.362809      2.675387
  H     -10.299759      5.857161     -0.487666
  H      -9.695452      3.786273     -1.803513
  H      -7.462823      2.717730     -1.410412
  H      -7.018351      1.177997      6.901441
  H      -6.661181      1.799257      5.270842
  H      -6.376563      4.131535      6.440681
  H      -7.254668      3.420432      7.806322
  H      -8.879662      4.531446      6.373052
  H      -9.110727      2.770810      6.139385
  H     -10.202483      5.376324      4.280023
  H     -11.941506      5.063044      2.527649
  H     -10.800372      1.332632      0.087345
  H      -8.918636     -0.347187      0.251829
  H      -7.259532     -0.123097      2.109738
  N      -4.581121      2.002784      3.601639
  N      -5.106636      2.003467      2.583994
100
Coordinates from ORCA-job orca E -6483.709584108061
  N      -2.619953      0.218298      5.016045
  Mo     -3.583734      1.940572      5.280768
  N      -5.050077      1.885323      6.580308
  C      -4.690445      1.925860      8.002946
  C      -3.298136      1.339630      8.205374
  N      -2.369008      1.859805      7.167244
  C      -1.239495      0.932653      6.899418
  C      -1.714444     -0.242917      6.065131
  C      -1.878103      3.228779      7.464318
  C      -1.594074      3.915018      6.130374
  N      -2.775955      3.800283      5.272759
  H      -0.827088     -0.753260      5.642990
  H      -2.222618     -0.998054      6.702067
  H      -0.491748      1.501490      6.330480
  H      -0.770680      0.598327      7.842849
  H      -1.323441      4.970986      6.305385
  H      -0.721660      3.448662      5.641502
  H      -2.680965      3.769442      7.985241
  H      -0.998426      3.189887      8.133334
  H      -5.408435      1.335758      8.604547
  H      -4.734348      2.959988      8.398957
  H      -3.346992      0.249138      8.079115
  H      -2.912000      1.551182      9.218985
  C      -3.037699     -0.879410      4.143050
  C      -2.104887     -1.072975      2.934057
  C      -2.399985     -0.098450      1.809023
  O      -3.681354     -0.514196      1.265361
  C      -4.280448      0.048829      0.202346
  C      -5.386897     -0.643683     -0.283539
  C      -6.116729     -0.140846     -1.367740
  N      -5.839128      0.988125     -2.008830
  C      -4.760772      1.686370     -1.552934
  C      -4.434634      2.909186     -2.190233
  C      -3.366669      3.649501     -1.741913
  C      -2.612866      3.157228     -0.652762
  N      -2.869272      2.020044     -0.029271
  C      -3.929734      1.278402     -0.451807
  C      -3.567492      5.032514      5.286048
  C      -4.705928      5.094647      4.269957
  C      -4.187958      5.327664      2.854845
  O      -5.130216      4.968999      1.823064
  C      -6.262702      5.672477      1.683282
  C      -6.592013      6.842116      2.356626
  C      -7.841375      7.449467      2.113597
  N      -8.760195      7.006988      1.269504
  C      -8.438834      5.875890      0.569983
  C      -9.361963      5.364722     -0.374375
  C      -9.036752      4.236963     -1.093926
  C      -7.787009      3.615445     -0.867315
  N      -6.896743      4.050982      0.011127
  C      -7.208441      5.162259      0.727111
  C      -6.485023      1.975307      6.340066
  C      -7.086349      3.344748      6.718592
  C      -8.401371      3.612005      6.010241
  O      -8.098827      3.711524      4.599443
  C      -9.135710      3.595138      3.728074
  C     -10.169357      4.508658      3.642929
  C     -11.149998      4.343218      2.639647
  N     -11.160304      3.368438      1.742884
  C     -10.146784      2.456789      1.815539
  C     -10.086057      1.401700      0.871960
  C      -9.065514      0.480902      0.958971
  C      -8.120320      0.598989      2.005701
  N      -8.137687      1.562207      2.911022
  C      -9.114417      2.501565      2.807581
  H      -3.083298     -1.817818      4.728193
  H      -4.057257     -0.693712      3.774950
  H      -1.058944     -0.933117      3.251127
  H      -2.191570     -2.101830      2.548172
  H      -1.643495     -0.139643      1.012774
  H      -2.465406      0.935306      2.169008
  H      -5.676694     -1.578652      0.197209
  H      -6.983379     -0.703373     -1.730913
  H      -5.060596      3.234229     -3.022688
  H      -3.099098      4.600152     -2.205170
  H      -1.755474      3.728565     -0.282131
  H      -2.889631      5.892901      5.109096
  H      -4.001812      5.200645      6.294774
  H      -5.387287      5.900040      4.576426
  H      -5.295375      4.169173      4.290311
  H      -3.333333      4.666818      2.661351
  H      -3.863929      6.373471      2.711867
  H      -5.911092      7.300683      3.070769
  H      -8.091369      8.363294      2.664010
  H     -10.312736      5.884806     -0.500054
  H      -9.728038      3.813928     -1.824278
  H      -7.504024      2.722363     -1.435211
  H      -7.020077      1.183375      6.904395
  H      -6.664786      1.799744      5.271571
  H      -6.372423      4.134949      6.436105
  H      -7.247826      3.428679      7.805039
  H      -8.868520      4.546024      6.365989
  H      -9.115252      2.783749      6.160589
  H     -10.211799      5.368425      4.312468
  H     -11.959585      5.076529      2.567335
  H     -10.850432      1.356054      0.094528
  H      -8.977559     -0.334503      0.239657
  H      -7.307541     -0.129699      2.090544
  N      -4.581645      1.973004      3.598145
  N      -5.115997      1.968581      2.584919
100
Coordinates from ORCA-job orca E -6483.709937894339
  N      -2.615086      0.202550      5.028302
  Mo     -3.582170      1.924149      5.281336
  N      -5.048984      1.884777      6.582317
  C      -4.687326      1.942291      8.003818
  C      -3.297021      1.353599      8.212011
  N      -2.366536      1.859999      7.168219
  C      -1.239148      0.927025      6.910801
  C      -1.715656     -0.253789      6.084955
  C      -1.871097      3.230741      7.451053
  C      -1.589181      3.903117      6.109277
  N      -2.773756      3.782274      5.256245
  H      -0.829253     -0.771414      5.669927
  H      -2.229242     -1.001466      6.726377
  H      -0.488626      1.488761      6.338413
  H      -0.773393      0.599718      7.858182
  H      -1.315729      4.960260      6.272554
  H      -0.719313      3.429519      5.622849
  H      -2.670550      3.778614      7.969659
  H      -0.989048      3.195426      8.117043
  H      -5.406660      1.362867      8.614180
  H      -4.726612      2.981822      8.385761
  H      -3.349206      0.261949      8.097297
  H      -2.909879      1.574700      9.223222
  C      -3.011617     -0.895681      4.146100
  C      -2.063003     -1.070983      2.946542
  C      -2.361208     -0.096074      1.822226
  O      -3.627119     -0.532976      1.259841
  C      -4.245571      0.045493      0.216235
  C      -5.357017     -0.644194     -0.262601
  C      -6.104325     -0.129075     -1.328854
  N      -5.839590      1.009070     -1.959079
  C      -4.755615      1.703558     -1.511354
  C      -4.439891      2.933761     -2.139616
  C      -3.362473      3.667318     -1.702948
  C      -2.589059      3.161402     -0.634019
  N      -2.836759      2.018357     -0.017620
  C      -3.906295      1.282957     -0.428907
  C      -3.564373      5.015232      5.260742
  C      -4.710415      5.065535      4.252162
  C      -4.203086      5.288006      2.831864
  O      -5.158819      4.937707      1.809640
  C      -6.281977      5.656835      1.673987
  C      -6.594640      6.829739      2.349591
  C      -7.837832      7.451944      2.111776
  N      -8.765032      7.021488      1.270593
  C      -8.458845      5.888621      0.567064
  C      -9.389229      5.391413     -0.377717
  C      -9.076974      4.264086     -1.103769
  C      -7.833737      3.627757     -0.882092
  N      -6.938050      4.049236     -0.002347
  C      -7.236363      5.160667      0.718891
  C      -6.484058      1.976325      6.343121
  C      -7.081467      3.350528      6.711301
  C      -8.396770      3.616862      6.002779
  O      -8.099652      3.680676      4.589079
  C      -9.141940      3.582003      3.723019
  C     -10.172437      4.500649      3.652574
  C     -11.156168      4.351882      2.649651
  N     -11.174390      3.388163      1.741179
  C     -10.165696      2.470124      1.800830
  C     -10.114666      1.423422      0.847154
  C      -9.099244      0.495840      0.921733
  C      -8.150223      0.597951      1.966642
  N      -8.158886      1.552417      2.881039
  C      -9.129664      2.498897      2.789610
  H      -3.052197     -1.837374      4.726301
  H      -4.028951     -0.719892      3.767519
  H      -1.023000     -0.916242      3.276127
  H      -2.128818     -2.099307      2.555181
  H      -1.593741     -0.118595      1.035875
  H      -2.450160      0.934229      2.187363
  H      -5.637550     -1.585850      0.210550
  H      -6.975254     -0.689018     -1.685833
  H      -5.080707      3.269403     -2.956375
  H      -3.102108      4.622880     -2.160243
  H      -1.723329      3.727014     -0.273805
  H      -2.887568      5.873330      5.069356
  H      -3.991142      5.194606      6.270748
  H      -5.392056      5.871553      4.556224
  H      -5.296116      4.138184      4.285959
  H      -3.357802      4.616976      2.632310
  H      -3.868689      6.329813      2.683393
  H      -5.905764      7.279620      3.061632
  H      -8.075068      8.367728      2.664646
  H     -10.334540      5.922345     -0.499567
  H      -9.773514      3.853265     -1.836134
  H      -7.559135      2.734624     -1.454318
  H      -7.020762      1.190228      6.914104
  H      -6.664918      1.792939      5.276293
  H      -6.365059      4.136646      6.423985
  H      -7.242883      3.442930      7.797109
  H      -8.851248      4.563581      6.340668
  H      -9.119103      2.800099      6.174347
  H     -10.211230      5.352077      4.332900
  H     -11.961827      5.090594      2.588471
  H     -10.882649      1.388992      0.072707
  H      -9.019072     -0.313125      0.194213
  H      -7.342170     -0.136914      2.042466
  N      -4.583017      1.939521      3.601118
  N      -5.126728      1.929153      2.592865
100
Coordinates from ORCA-job orca E -6483.710320051555
  N      -2.611467      0.187067      5.039594
  Mo     -3.581979      1.907870      5.280861
  N      -5.046047      1.884351      6.586456
  C      -4.679096      1.958869      8.005842
  C      -3.290254      1.367658      8.216226
  N      -2.360959      1.861526      7.165297
  C      -1.234963      0.924473      6.916650
  C      -1.711958     -0.262084      6.099295
  C      -1.861883      3.234271      7.433100
  C      -1.585220      3.893126      6.083408
  N      -2.773812      3.764465      5.237324
  H      -0.826065     -0.782362      5.686749
  H      -2.224807     -1.005592      6.746093
  H      -0.482694      1.480324      6.340799
  H      -0.771181      0.604308      7.867384
  H      -1.310313      4.951695      6.234469
  H      -0.718168      3.413618      5.597771
  H      -2.657486      3.788605      7.950690
  H      -0.976241      3.203354      8.094385
  H      -5.398289      1.390493      8.626636
  H      -4.712633      3.003667      8.373473
  H      -3.346290      0.275187      8.111182
  H      -2.899790      1.596769      9.224399
  C      -2.991313     -0.913574      4.153066
  C      -2.030906     -1.076336      2.960929
  C      -2.327689     -0.101569      1.835827
  O      -3.579044     -0.554021      1.253790
  C      -4.212068      0.043736      0.229788
  C      -5.331011     -0.636524     -0.245192
  C      -6.091364     -0.102670     -1.292872
  N      -5.833909      1.045778     -1.907151
  C      -4.742543      1.730818     -1.463364
  C      -4.432673      2.970543     -2.075679
  C      -3.343710      3.691520     -1.646654
  C      -2.553442      3.164155     -0.600682
  N      -2.797156      2.013299      0.002796
  C      -3.877924      1.289786     -0.401166
  C      -3.564254      4.997660      5.234376
  C      -4.719987      5.034779      4.236160
  C      -4.225234      5.246760      2.810294
  O      -5.193845      4.902865      1.798461
  C      -6.307160      5.637018      1.663224
  C      -6.605064      6.814408      2.337706
  C      -7.840478      7.451806      2.098762
  N      -8.772132      7.033175      1.256517
  C      -8.479056      5.897152      0.552436
  C      -9.411985      5.414128     -0.397225
  C      -9.110771      4.285454     -1.126011
  C      -7.877187      3.632021     -0.900484
  N      -6.980184      4.039305     -0.015274
  C      -7.266561      5.153393      0.706749
  C      -6.481687      1.976913      6.351114
  C      -7.072956      3.357454      6.706206
  C      -8.388142      3.624506      5.997250
  O      -8.098620      3.644661      4.580931
  C      -9.146939      3.565596      3.721181
  C     -10.174765      4.488976      3.670422
  C     -11.165148      4.357964      2.671707
  N     -11.194678      3.406544      1.750773
  C     -10.190091      2.482880      1.791899
  C     -10.152588      1.446003      0.826760
  C      -9.141575      0.512242      0.882751
  C      -8.183342      0.598085      1.920568
  N      -8.179727      1.542464      2.845343
  C      -9.145991      2.495007      2.772583
  H      -3.027328     -1.856733      4.731102
  H      -4.006989     -0.746118      3.766569
  H      -0.995438     -0.912857      3.300441
  H      -2.083161     -2.103925      2.565633
  H      -1.549113     -0.109611      1.060338
  H      -2.436798      0.925714      2.204126
  H      -5.607593     -1.584755      0.217001
  H      -6.968078     -0.655347     -1.647118
  H      -5.086412      3.322885     -2.874891
  H      -3.086668      4.653211     -2.092916
  H      -1.677277      3.718849     -0.248379
  H      -2.889702      5.853558      5.026142
  H      -3.980886      5.188579      6.246461
  H      -5.401931      5.841122      4.538496
  H      -5.301066      4.105299      4.284829
  H      -3.388248      4.567274      2.604171
  H      -3.882755      6.285045      2.655504
  H      -5.910896      7.256549      3.049427
  H      -8.066749      8.370509      2.651417
  H     -10.349961      5.957317     -0.521791
  H      -9.809155      3.886965     -1.863441
  H      -7.609572      2.736967     -1.473014
  H      -7.019283      1.198419      6.931575
  H      -6.665686      1.783414      5.286808
  H      -6.352464      4.137229      6.412410
  H      -7.234208      3.460829      7.791077
  H      -8.825265      4.586830      6.312894
  H      -9.122100      2.824121      6.194882
  H     -10.207745      5.330697      4.362941
  H     -11.967524      5.101398      2.625979
  H     -10.927732      1.423325      0.059076
  H      -9.072369     -0.289371      0.145986
  H      -7.379175     -0.142352      1.982692
  N      -4.588397      1.903841      3.604002
  N      -5.141305      1.885743      2.600863
100
Coordinates from ORCA-job orca E -6483.710793170877
  N      -2.605020      0.173178      5.053843
  Mo     -3.581100      1.891756      5.283729
  N      -5.041593      1.883245      6.594709
  C      -4.668546      1.974292      8.011627
  C      -3.280890      1.380566      8.222386
  N      -2.353786      1.863762      7.164684
  C      -1.227579      0.924588      6.924688
  C      -1.702256     -0.267860      6.114079
  C      -1.853254      3.239176      7.417775
  C      -1.581521      3.884883      6.060712
  N      -2.773251      3.746494      5.220571
  H      -0.815455     -0.786151      5.701137
  H      -2.209613     -1.011157      6.765369
  H      -0.473378      1.476180      6.347311
  H      -0.766494      0.611338      7.878979
  H      -1.307143      4.945221      6.199637
  H      -0.716152      3.400990      5.576472
  H      -2.646429      3.798904      7.933215
  H      -0.964802      3.214045      8.075417
  H      -5.386822      1.416646      8.643016
  H      -4.696422      3.023971      8.365391
  H      -3.341086      0.287647      8.123839
  H      -2.886361      1.615276      9.227732
  C      -2.970090     -0.930189      4.164142
  C      -2.000990     -1.083082      2.977747
  C      -2.295066     -0.108987      1.850963
  O      -3.531108     -0.577451      1.247898
  C      -4.178461      0.037601      0.242753
  C      -5.302829     -0.635813     -0.229081
  C      -6.075330     -0.085979     -1.259620
  N      -5.826503      1.072372     -1.858357
  C      -4.729953      1.750750     -1.417578
  C      -4.427933      3.000322     -2.013769
  C      -3.329434      3.711254     -1.592268
  C      -2.521715      3.164254     -0.569964
  N      -2.759487      2.005326      0.020383
  C      -3.850563      1.291966     -0.375051
  C      -3.565134      4.979147      5.209548
  C      -4.732050      5.001574      4.223547
  C      -4.253337      5.205977      2.791663
  O      -5.235450      4.866249      1.792146
  C      -6.340739      5.612233      1.657723
  C      -6.628291      6.791879      2.332725
  C      -7.856665      7.442040      2.090563
  N      -8.789152      7.035443      1.243387
  C      -8.505208      5.897939      0.537822
  C      -9.436082      5.429302     -0.421011
  C      -9.141861      4.300569     -1.152888
  C      -7.918973      3.630528     -0.918531
  N      -7.024717      4.023682     -0.024240
  C      -7.302396      5.139995      0.697670
  C      -6.478093      1.976261      6.364560
  C      -7.060014      3.365676      6.701271
  C      -8.373557      3.636491      5.990230
  O      -8.093096      3.602263      4.572709
  C      -9.146754      3.550052      3.718990
  C     -10.171121      4.479032      3.695371
  C     -11.169541      4.373171      2.701999
  N     -11.213154      3.440042      1.763272
  C     -10.213113      2.510416      1.778029
  C     -10.192427      1.489240      0.795697
  C      -9.185700      0.549562      0.823623
  C      -8.214404      0.613364      1.850705
  N      -8.196247      1.541201      2.791926
  C      -9.158538      2.499298      2.747613
  H      -3.002458     -1.874093      4.741047
  H      -3.984267     -0.769404      3.770990
  H      -0.968670     -0.915122      3.324593
  H      -2.044598     -2.109778      2.578969
  H      -1.504856     -0.103005      1.087556
  H      -2.425842      0.915306      2.220484
  H      -5.574656     -1.590404      0.222711
  H      -6.955748     -0.633998     -1.612185
  H      -5.094663      3.367513     -2.795256
  H      -3.077369      4.679546     -2.027059
  H      -1.636390      3.709789     -0.225875
  H      -2.894212      5.833196      4.982817
  H      -3.970087      5.182099      6.223978
  H      -5.415107      5.807035      4.525760
  H      -5.307015      4.069168      4.287103
  H      -3.422468      4.521955      2.575999
  H      -3.907452      6.242313      2.631058
  H      -5.931770      7.226615      3.046720
  H      -8.075524      8.361906      2.644315
  H     -10.366643      5.983723     -0.551778
  H      -9.838563      3.915113     -1.898851
  H      -7.654417      2.733480     -1.489384
  H      -7.016495      1.208179      6.957814
  H      -6.666490      1.769102      5.303769
  H      -6.332203      4.134935      6.398923
  H      -7.221830      3.484742      7.784490
  H      -8.786450      4.618130      6.277298
  H      -9.124175      2.860142      6.218970
  H     -10.196409      5.306141      4.405426
  H     -11.968101      5.121798      2.678083
  H     -10.977285      1.482691      0.037679
  H      -9.129699     -0.239984      0.072790
  H      -7.412964     -0.131658      1.891296
  N      -4.590141      1.865034      3.608962
  N      -5.146274      1.836277      2.608150
100
Coordinates from ORCA-job orca E -6483.711399260827
  N      -2.589916      0.168284      5.073588
  Mo     -3.578428      1.879990      5.294243
  N      -5.030007      1.879399      6.615382
  C      -4.647079      1.984620      8.029061
  C      -3.257505      1.392268      8.232706
  N      -2.337844      1.872202      7.167165
  C      -1.206516      0.938155      6.931808
  C      -1.672942     -0.261313      6.125548
  C      -1.842378      3.252115      7.407095
  C      -1.579280      3.887981      6.044495
  N      -2.774043      3.734122      5.211358
  H      -0.782523     -0.765621      5.703124
  H      -2.160907     -1.014046      6.780598
  H      -0.453220      1.491021      6.354682
  H      -0.745803      0.632036      7.888507
  H      -1.311698      4.951319      6.172358
  H      -0.713444      3.405692      5.559619
  H      -2.635914      3.812907      7.920749
  H      -0.951269      3.236572      8.061356
  H      -5.360099      1.433400      8.671612
  H      -4.672168      3.037812      8.372463
  H      -3.320127      0.299484      8.133006
  H      -2.855859      1.627733      9.235111
  C      -2.949314     -0.941109      4.187722
  C      -1.982831     -1.096290      3.000174
  C      -2.273399     -0.129931      1.865589
  O      -3.498003     -0.614134      1.246836
  C      -4.153963      0.014522      0.254706
  C      -5.279757     -0.654222     -0.219533
  C      -6.057969     -0.091567     -1.239295
  N      -5.815749      1.075627     -1.822557
  C      -4.718270      1.750212     -1.378339
  C      -4.424199      3.010650     -1.955824
  C      -3.321179      3.714972     -1.534765
  C      -2.499813      3.149905     -0.533282
  N      -2.731293      1.981547      0.040718
  C      -3.829553      1.276282     -0.350594
  C      -3.571822      4.963901      5.194833
  C      -4.751314      4.969550      4.223675
  C      -4.292100      5.172054      2.785929
  O      -5.285516      4.829589      1.800300
  C      -6.388753      5.577429      1.664048
  C      -6.682233      6.753476      2.342633
  C      -7.905582      7.408557      2.086529
  N      -8.824379      7.013705      1.219215
  C      -8.534054      5.879470      0.510804
  C      -9.444876      5.426418     -0.474190
  C      -9.142204      4.301303     -1.208842
  C      -7.934668      3.615252     -0.945136
  N      -7.058243      3.994290     -0.027431
  C      -7.340253      5.112098      0.690450
  C      -6.468277      1.966289      6.393025
  C      -7.037494      3.368327      6.699166
  C      -8.348102      3.648589      5.985160
  O      -8.083944      3.545373      4.568020
  C      -9.142546      3.534902      3.721256
  C     -10.166117      4.466036      3.749868
  C     -11.180588      4.400409      2.770457
  N     -11.245531      3.502225      1.799902
  C     -10.246138      2.572118      1.761224
  C     -10.250904      1.584209      0.745418
  C      -9.242478      0.646429      0.712404
  C      -8.242308      0.677846      1.712674
  N      -8.203922      1.569851      2.687751
  C      -9.169484      2.525334      2.705612
  H      -2.978532     -1.882349      4.768834
  H      -3.964153     -0.783643      3.794661
  H      -0.948789     -0.932806      3.343952
  H      -2.031912     -2.123840      2.603829
  H      -1.473686     -0.119532      1.112653
  H      -2.423168      0.894808      2.226013
  H      -5.549078     -1.614169      0.222240
  H      -6.938367     -0.637567     -1.595567
  H      -5.100394      3.390658     -2.722715
  H      -3.074534      4.691185     -1.954833
  H      -1.608965      3.688546     -0.191736
  H      -2.908125      5.818252      4.948536
  H      -3.962543      5.176688      6.212685
  H      -5.437150      5.772099      4.527730
  H      -5.317946      4.033148      4.300369
  H      -3.461132      4.492587      2.556586
  H      -3.953617      6.210296      2.621042
  H      -5.994795      7.182683      3.068689
  H      -8.130501      8.324913      2.643685
  H     -10.367004      5.989616     -0.625524
  H      -9.822814      3.931350     -1.977260
  H      -7.661193      2.715886     -1.507597
  H      -7.005181      1.213235      7.005846
  H      -6.662314      1.737059      5.337933
  H      -6.297837      4.118931      6.381508
  H      -7.198873      3.513348      7.779297
  H      -8.722615      4.655075      6.235893
  H      -9.124497      2.911109      6.253279
  H     -10.179409      5.264113      4.492249
  H     -11.977864      5.150622      2.789546
  H     -11.056822      1.601175      0.010044
  H      -9.205223     -0.116487     -0.066636
  H      -7.435277     -0.062872      1.704777
  N      -4.588190      1.823234      3.620270
  N      -5.134931      1.775461      2.615775
100
Coordinates from ORCA-job orca E -6483.711915358965
  N      -2.578559      0.159779      5.091627
  Mo     -3.576007      1.866996      5.301481
  N      -5.022204      1.876629      6.629451
  C      -4.632356      1.996942      8.040107
  C      -3.242586      1.404436      8.241742
  N      -2.326938      1.876918      7.169748
  C      -1.193251      0.944106      6.941390
  C      -1.655090     -0.261206      6.140829
  C      -1.833204      3.259907      7.396676
  C      -1.576005      3.885104      6.028224
  N      -2.773212      3.719768      5.200725
  H      -0.762812     -0.759339      5.714952
  H      -2.133040     -1.017103      6.799542
  H      -0.439500      1.495182      6.363287
  H      -0.734033      0.645136      7.901027
  H      -1.311954      4.950462      6.145486
  H      -0.710486      3.401678      5.543917
  H      -2.625908      3.823747      7.908272
  H      -0.939911      3.251395      8.048044
  H      -5.342419      1.453650      8.692450
  H      -4.654360      3.053907      8.371861
  H      -3.308067      0.311393      8.146007
  H      -2.836367      1.644073      9.241318
  C      -2.927310     -0.953394      4.205249
  C      -1.955135     -1.103612      3.022319
  C      -2.241933     -0.140240      1.884176
  O      -3.450672     -0.641684      1.245364
  C      -4.119503     -0.005558      0.265994
  C      -5.243434     -0.678151     -0.207054
  C      -6.031976     -0.111852     -1.217020
  N      -5.803570      1.062984     -1.789841
  C      -4.708076      1.741480     -1.346907
  C      -4.427682      3.009660     -1.914282
  C      -3.323858      3.715788     -1.498564
  C      -2.487519      3.144636     -0.513105
  N      -2.707038      1.969855      0.052356
  C      -3.807174      1.263240     -0.331827
  C      -3.575301      4.947078      5.178306
  C      -4.765297      4.937439      4.219881
  C      -4.324767      5.138400      2.776506
  O      -5.330089      4.795246      1.804077
  C      -6.429885      5.548007      1.669451
  C      -6.721924      6.722077      2.351908
  C      -7.940702      7.384119      2.090517
  N      -8.853614      7.000728      1.212118
  C      -8.563731      5.869126      0.499160
  C      -9.462873      5.431823     -0.503339
  C      -9.157903      4.310740     -1.243606
  C      -7.963060      3.609296     -0.963585
  N      -7.097332      3.973712     -0.029781
  C      -7.378203      5.091664      0.688208
  C      -6.461979      1.960199      6.413990
  C      -7.022673      3.371292      6.694439
  C      -8.332129      3.654863      5.979321
  O      -8.084650      3.493744      4.565099
  C      -9.144980      3.523872      3.723349
  C     -10.166276      4.456437      3.792233
  C     -11.188158      4.427945      2.819273
  N     -11.267118      3.561509      1.821341
  C     -10.270308      2.630750      1.742722
  C     -10.292552      1.671378      0.700229
  C      -9.284081      0.736290      0.621423
  C      -8.264686      0.741828      1.602408
  N      -8.213796      1.602177      2.604920
  C      -9.181087      2.553003      2.670305
  H      -2.954067     -1.893944      4.787465
  H      -3.941042     -0.801107      3.807287
  H      -0.922717     -0.938770      3.370337
  H      -2.000091     -2.131039      2.624782
  H      -1.431211     -0.118898      1.143567
  H      -2.413141      0.882191      2.240855
  H      -5.503624     -1.643606      0.228127
  H      -6.910073     -0.661909     -1.573017
  H      -5.114503      3.393434     -2.669674
  H      -3.087060      4.697652     -1.911132
  H      -1.594476      3.683478     -0.177571
  H      -2.917735      5.801228      4.915369
  H      -3.954733      5.168986      6.198426
  H      -5.454316      5.736277      4.526499
  H      -5.323255      3.996660      4.307775
  H      -3.495590      4.461022      2.534809
  H      -3.990653      6.177581      2.607662
  H      -6.037382      7.145213      3.084205
  H      -8.165782      8.297897      2.651861
  H     -10.377375      6.004237     -0.666151
  H      -9.828044      3.956703     -2.028599
  H      -7.687025      2.708470     -1.522739
  H      -6.996924      1.219767      7.043227
  H      -6.660964      1.712016      5.364365
  H      -6.275324      4.107856      6.363567
  H      -7.182644      3.538254      7.771633
  H      -8.677837      4.678661      6.198921
  H      -9.125506      2.948500      6.279423
  H     -10.172918      5.227528      4.562357
  H     -11.982534      5.179812      2.870895
  H     -11.112266      1.707484     -0.019000
  H      -9.259475     -0.003644     -0.180037
  H      -7.453526      0.006870      1.557504
  N      -4.584987      1.783682      3.628339
  N      -5.124419      1.720445      2.620768
100
Coordinates from ORCA-job orca E -6483.712434397225
  N      -2.571028      0.152966      5.102667
  Mo     -3.575591      1.856529      5.306045
  N      -5.017397      1.873068      6.639514
  C      -4.621741      2.003667      8.047582
  C      -3.231567      1.412341      8.247792
  N      -2.319491      1.879754      7.170549
  C      -1.184295      0.948115      6.946458
  C      -1.643880     -0.261406      6.151225
  C      -1.827760      3.264986      7.387341
  C      -1.575325      3.881239      6.013820
  N      -2.774229      3.708797      5.190163
  H      -0.750651     -0.757142      5.724510
  H      -2.117496     -1.017318      6.813071
  H      -0.431605      1.497744      6.365563
  H      -0.724643      0.655003      7.907678
  H      -1.312504      4.947751      6.122706
  H      -0.710418      3.395667      5.530533
  H      -2.619503      3.831083      7.897989
  H      -0.932491      3.262013      8.036041
  H      -5.329202      1.465375      8.706874
  H      -4.641969      3.063057      8.371744
  H      -3.297574      0.318867      8.157265
  H      -2.822210      1.656740      9.244894
  C      -2.909337     -0.963137      4.215099
  C      -1.928387     -1.105273      3.038669
  C      -2.213360     -0.143129      1.899401
  O      -3.402842     -0.662235      1.238868
  C      -4.082799     -0.021713      0.270481
  C      -5.199234     -0.702871     -0.208207
  C      -5.996403     -0.135570     -1.210784
  N      -5.784467      1.048887     -1.770078
  C      -4.695453      1.735023     -1.322841
  C      -4.430170      3.011415     -1.878624
  C      -3.330794      3.723811     -1.461796
  C      -2.484163      3.150858     -0.486249
  N      -2.690721      1.969196      0.069696
  C      -3.785754      1.255938     -0.316123
  C      -3.577546      4.934958      5.160637
  C      -4.772202      4.914532      4.208603
  C      -4.342174      5.111504      2.761671
  O      -5.355407      4.767107      1.798048
  C      -6.450096      5.527276      1.663091
  C      -6.736548      6.701156      2.348135
  C      -7.950433      7.371599      2.085041
  N      -8.861618      6.998434      1.200604
  C      -8.576111      5.868033      0.483961
  C      -9.470648      5.443260     -0.528054
  C      -9.169453      4.322680     -1.270801
  C      -7.985082      3.607222     -0.982034
  N      -7.124075      3.960042     -0.039162
  C      -7.398800      5.079891      0.678056
  C      -6.458487      1.955222      6.429524
  C      -7.015803      3.370838      6.693375
  C      -8.327798      3.653808      5.982383
  O      -8.101259      3.443499      4.571634
  C      -9.162142      3.511103      3.734565
  C     -10.177015      4.449088      3.828963
  C     -11.200514      4.452494      2.857250
  N     -11.290556      3.609013      1.840491
  C     -10.300873      2.672802      1.737704
  C     -10.336212      1.733941      0.677233
  C      -9.332076      0.796891      0.570159
  C      -8.301007      0.782674      1.538690
  N      -8.240810      1.620683      2.559301
  C      -9.206749      2.569145      2.655887
  H      -2.931911     -1.903887      4.797171
  H      -3.922153     -0.818548      3.812315
  H      -0.899522     -0.933440      3.393870
  H      -1.962561     -2.132651      2.639771
  H      -1.391668     -0.107172      1.171401
  H      -2.406173      0.875574      2.255457
  H      -5.447234     -1.675873      0.217118
  H      -6.868498     -0.692535     -1.570766
  H      -5.124113      3.395725     -2.627209
  H      -3.105008      4.711583     -1.866299
  H      -1.593325      3.693561     -0.151303
  H      -2.922528      5.787560      4.886576
  H      -3.951787      5.165348      6.180775
  H      -5.464323      5.710691      4.515242
  H      -5.324065      3.970850      4.302922
  H      -3.515500      4.432713      2.515266
  H      -4.008403      6.150051      2.587874
  H      -6.051755      7.117987      3.083804
  H      -8.172275      8.284072      2.649789
  H     -10.378640      6.024464     -0.696175
  H      -9.835360      3.979376     -2.064090
  H      -7.715062      2.702606     -1.538151
  H      -6.990511      1.223156      7.070709
  H      -6.661715      1.693014      5.383939
  H      -6.266394      4.099538      6.350549
  H      -7.170502      3.552661      7.768956
  H      -8.651424      4.689845      6.176201
  H      -9.131273      2.971876      6.310648
  H     -10.177789      5.201024      4.617544
  H     -11.987938      5.210129      2.927985
  H     -11.162293      1.787506     -0.033760
  H      -9.317258      0.072972     -0.246058
  H      -7.488084      0.051825      1.468914
  N      -4.587057      1.752848      3.635820
  N      -5.123471      1.677000      2.626700
100
Coordinates from ORCA-job orca E -6483.713027725938
  N      -2.561995      0.152693      5.107166
  Mo     -3.572901      1.852788      5.308713
  N      -5.012534      1.869044      6.645192
  C      -4.614128      2.004842      8.051606
  C      -3.223108      1.416850      8.252288
  N      -2.313185      1.882454      7.172374
  C      -1.177261      0.951798      6.950048
  C      -1.637944     -0.259314      6.159684
  C      -1.825081      3.269090      7.383989
  C      -1.574910      3.880990      6.007963
  N      -2.773815      3.706663      5.184679
  H      -0.745128     -0.759747      5.737687
  H      -2.117628     -1.009778      6.823333
  H      -0.426737      1.499901      6.364867
  H      -0.715831      0.662313      7.911482
  H      -1.312164      4.947838      6.113771
  H      -0.709851      3.394448      5.525890
  H      -2.617382      3.835171      7.893869
  H      -0.929438      3.270617      8.032288
  H      -5.319688      1.467072      8.713524
  H      -4.635432      3.065014      8.373691
  H      -3.286399      0.322766      8.168092
  H      -2.813339      1.666532      9.247789
  C      -2.892814     -0.966306      4.219724
  C      -1.900700     -1.106239      3.052538
  C      -2.185031     -0.146976      1.911781
  O      -3.356826     -0.683008      1.236035
  C      -4.049220     -0.045326      0.275612
  C      -5.159971     -0.737886     -0.200846
  C      -5.971098     -0.176100     -1.194903
  N      -5.776563      1.013531     -1.750341
  C      -4.691317      1.709195     -1.308301
  C      -4.441523      2.988196     -1.864362
  C      -3.347406      3.711484     -1.452607
  C      -2.491644      3.147037     -0.480230
  N      -2.683964      1.963106      0.076164
  C      -3.770942      1.237822     -0.307729
  C      -3.578433      4.930997      5.152528
  C      -4.772285      4.905120      4.200098
  C      -4.346112      5.110227      2.752917
  O      -5.361192      4.763161      1.791321
  C      -6.454599      5.526771      1.658828
  C      -6.739657      6.695536      2.353163
  C      -7.952568      7.369704      2.095892
  N      -8.862937      7.006071      1.206777
  C      -8.577692      5.882604      0.479527
  C      -9.471405      5.469039     -0.538120
  C      -9.171932      4.353272     -1.288505
  C      -7.990895      3.631050     -1.002714
  N      -7.131872      3.973660     -0.054492
  C      -7.403408      5.089448      0.669673
  C      -6.454321      1.950899      6.438495
  C      -7.010547      3.369871      6.683428
  C      -8.329399      3.646002      5.982792
  O      -8.131699      3.381591      4.577783
  C      -9.191316      3.488372      3.745787
  C     -10.201999      4.428807      3.860646
  C     -11.222461      4.460645      2.885625
  N     -11.316212      3.639038      1.850870
  C     -10.331546      2.699569      1.729970
  C     -10.371876      1.780414      0.652952
  C      -9.370463      0.842816      0.525972
  C      -8.332791      0.813983      1.486874
  N      -8.269301      1.632786      2.522816
  C      -9.237716      2.574679      2.643681
  H      -2.913452     -1.906143      4.803460
  H      -3.904142     -0.829611      3.811297
  H      -0.876599     -0.923723      3.416054
  H      -1.921215     -2.135231      2.656972
  H      -1.354781     -0.098683      1.193750
  H      -2.393912      0.868808      2.266984
  H      -5.393631     -1.715759      0.221282
  H      -6.839811     -0.741006     -1.550267
  H      -5.142603      3.365808     -2.609712
  H      -3.133685      4.701443     -1.858030
  H      -1.604877      3.697906     -0.149020
  H      -2.924726      5.784126      4.877006
  H      -3.954329      5.163230      6.171669
  H      -5.472265      5.692702      4.510867
  H      -5.315902      3.955507      4.286802
  H      -3.517540      4.434408      2.505078
  H      -4.016235      6.150141      2.580378
  H      -6.054652      7.105412      3.092437
  H      -8.174232      8.276520      2.669616
  H     -10.377740      6.054021     -0.701615
  H      -9.836975      4.016664     -2.085284
  H      -7.729552      2.727753     -1.564699
  H      -6.983025      1.228724      7.093493
  H      -6.661138      1.670521      5.398297
  H      -6.264091      4.092467      6.321210
  H      -7.152629      3.569117      7.757601
  H      -8.633017      4.692934      6.147461
  H      -9.138559      2.987789      6.343770
  H     -10.203084      5.162393      4.666029
  H     -12.004402      5.222433      2.969989
  H     -11.198907      1.850392     -0.055767
  H      -9.359870      0.133230     -0.302746
  H      -7.515534      0.091205      1.396231
  N      -4.587134      1.737595      3.640978
  N      -5.119748      1.652642      2.629321
100
Coordinates from ORCA-job orca E -6483.713528197806
  N      -2.556801      0.149681      5.106786
  Mo     -3.574671      1.845784      5.313005
  N      -5.009445      1.858946      6.655331
  C      -4.605800      2.000926      8.059250
  C      -3.212356      1.419122      8.257348
  N      -2.308221      1.884101      7.172029
  C      -1.171279      0.955362      6.947280
  C      -1.633829     -0.258453      6.162780
  C      -1.824943      3.273506      7.375624
  C      -1.581018      3.880075      5.995626
  N      -2.781752      3.703050      5.175262
  H      -0.741903     -0.763651      5.744878
  H      -2.118597     -1.002868      6.829537
  H      -0.425486      1.502872      6.355350
  H      -0.704349      0.669886      7.907270
  H      -1.317982      4.947479      6.096884
  H      -0.716649      3.392086      5.513725
  H      -2.617158      3.838939      7.886442
  H      -0.926958      3.281570      8.020842
  H      -5.307278      1.462815      8.725449
  H      -4.629233      3.061929      8.379052
  H      -3.270186      0.324213      8.180638
  H      -2.800131      1.675720      9.250135
  C      -2.882071     -0.972162      4.221079
  C      -1.882689     -1.110393      3.059180
  C      -2.166673     -0.152774      1.917068
  O      -3.327805     -0.695967      1.231719
  C      -4.027018     -0.053144      0.280566
  C      -5.137610     -0.744498     -0.198532
  C      -5.957552     -0.174471     -1.180532
  N      -5.769713      1.022166     -1.724395
  C      -4.682534      1.715111     -1.282140
  C      -4.436765      2.998922     -1.828558
  C      -3.341607      3.720416     -1.415863
  C      -2.481631      3.149653     -0.450874
  N      -2.669964      1.960744      0.096681
  C      -3.755957      1.236412     -0.290693
  C      -3.587062      4.926121      5.136888
  C      -4.778184      4.895571      4.181183
  C      -4.351612      5.104493      2.734360
  O      -5.366292      4.753085      1.772837
  C      -6.457992      5.520015      1.638965
  C      -6.740762      6.687664      2.336447
  C      -7.951927      7.365631      2.081396
  N      -8.863223      7.006387      1.191302
  C      -8.580429      5.884289      0.461160
  C      -9.476834      5.475195     -0.556342
  C      -9.181006      4.360037     -1.308557
  C      -8.001032      3.634086     -1.025975
  N      -7.140366      3.972956     -0.078369
  C      -7.407814      5.087732      0.648728
  C      -6.452060      1.942973      6.453750
  C      -7.002347      3.366610      6.681941
  C      -8.327230      3.640945      5.992107
  O      -8.157367      3.321571      4.595739
  C      -9.210059      3.465275      3.763276
  C     -10.213183      4.412127      3.890610
  C     -11.225070      4.474188      2.907365
  N     -11.321048      3.673092      1.856919
  C     -10.346269      2.724345      1.725857
  C     -10.393813      1.820244      0.636615
  C      -9.403573      0.872164      0.500858
  C      -8.368058      0.820548      1.463055
  N      -8.297877      1.625581      2.509551
  C      -9.258354      2.573993      2.641723
  H      -2.899796     -1.911174      4.806695
  H      -3.893087     -0.842667      3.810071
  H      -0.862320     -0.919311      3.428971
  H      -1.892666     -2.140652      2.666941
  H      -1.331238     -0.096564      1.205135
  H      -2.382872      0.861294      2.273467
  H      -5.365742     -1.727743      0.214320
  H      -6.828267     -0.736932     -1.534725
  H      -5.141432      3.381758     -2.567890
  H      -3.131464      4.713909     -1.814519
  H      -1.594857      3.699566     -0.117995
  H      -2.933082      5.778598      4.859938
  H      -3.966772      5.162887      6.153694
  H      -5.485325      5.676437      4.492907
  H      -5.315061      3.941802      4.261232
  H      -3.521225      4.429600      2.489533
  H      -4.024054      6.144726      2.560622
  H      -6.054618      7.094151      3.076585
  H      -8.171616      8.270853      2.658472
  H     -10.381920      6.063332     -0.715553
  H      -9.847422      4.024689     -2.104862
  H      -7.749419      2.731212     -1.592941
  H      -6.978548      1.232148      7.123046
  H      -6.664826      1.645326      5.419650
  H      -6.257469      4.081498      6.301449
  H      -7.130671      3.581666      7.754800
  H      -8.607250      4.698943      6.124252
  H      -9.143549      3.010745      6.385899
  H     -10.217058      5.128960      4.710851
  H     -11.998920      5.243182      3.000413
  H     -11.217482      1.909920     -0.073924
  H      -9.400369      0.171639     -0.335705
  H      -7.557679      0.091727      1.363274
  N      -4.598100      1.720217      3.652464
  N      -5.132890      1.624675      2.642809
100
Coordinates from ORCA-job orca E -6483.713917974270
  N      -2.555602      0.149024      5.107244
  Mo     -3.575830      1.843559      5.318611
  N      -5.006820      1.851853      6.665380
  C      -4.600067      1.998701      8.067661
  C      -3.204659      1.421236      8.264036
  N      -2.304916      1.884323      7.174232
  C      -1.168681      0.955442      6.946319
  C      -1.636367     -0.259214      6.167230
  C      -1.823780      3.275377      7.371671
  C      -1.584875      3.880281      5.990029
  N      -2.787643      3.703532      5.173023
  H      -0.746985     -0.772195      5.753967
  H      -2.128896     -0.995876      6.836678
  H      -0.426209      1.501151      6.348623
  H      -0.697040      0.671328      7.904323
  H      -1.320806      4.947646      6.090373
  H      -0.721802      3.391794      5.506399
  H      -2.615647      3.840215      7.883581
  H      -0.923792      3.287944      8.014121
  H      -5.298856      1.460328      8.736569
  H      -4.625297      3.060188      8.386160
  H      -3.258545      0.325758      8.193804
  H      -2.790179      1.683551      9.254445
  C      -2.878061     -0.972641      4.221221
  C      -1.870749     -1.114471      3.066439
  C      -2.150315     -0.156947      1.923110
  O      -3.304616     -0.703705      1.231310
  C      -4.008614     -0.062047      0.282360
  C      -5.116171     -0.757395     -0.197513
  C      -5.941481     -0.188398     -1.175432
  N      -5.759118      1.009828     -1.718025
  C      -4.673742      1.706006     -1.276645
  C      -4.432484      2.990732     -1.822891
  C      -3.340493      3.716690     -1.409170
  C      -2.479252      3.149543     -0.443340
  N      -2.662036      1.958988      0.102712
  C      -3.744506      1.230161     -0.286067
  C      -3.592968      4.925790      5.132120
  C      -4.780488      4.894521      4.171397
  C      -4.351093      5.113261      2.726547
  O      -5.363605      4.759295      1.763041
  C      -6.455565      5.527122      1.629847
  C      -6.737584      6.692670      2.331478
  C      -7.947633      7.373242      2.079342
  N      -8.859857      7.017456      1.188836
  C      -8.578639      5.897402      0.455401
  C      -9.478522      5.492499     -0.561110
  C      -9.184648      4.380315     -1.317775
  C      -8.002548      3.654334     -1.042028
  N      -7.139626      3.989250     -0.096577
  C      -7.405464      5.099677      0.637922
  C      -6.449522      1.939273      6.466501
  C      -6.988579      3.370629      6.669947
  C      -8.322271      3.642797      5.995347
  O      -8.188522      3.258453      4.612382
  C      -9.232417      3.432956      3.777922
  C     -10.233426      4.380423      3.917564
  C     -11.237743      4.465545      2.927796
  N     -11.332035      3.684328      1.862935
  C     -10.362405      2.731193      1.721769
  C     -10.413424      1.841890      0.620773
  C      -9.430615      0.887316      0.476542
  C      -8.398029      0.816685      1.440189
  N      -8.323617      1.608831      2.496697
  C      -9.279321      2.561038      2.639162
  H      -2.900848     -1.910883      4.808173
  H      -3.886333     -0.842760      3.803789
  H      -0.853497     -0.920893      3.443353
  H      -1.876106     -2.145633      2.677055
  H      -1.310293     -0.095933      1.216861
  H      -2.369784      0.855945      2.281205
  H      -5.338836     -1.742925      0.213027
  H      -6.811296     -0.752959     -1.528209
  H      -5.138034      3.371071     -2.562446
  H      -3.134820      4.711176     -1.807615
  H      -1.596304      3.703934     -0.107973
  H      -2.937908      5.778157      4.857452
  H      -3.977381      5.163862      6.146853
  H      -5.494785      5.667627      4.486076
  H      -5.311013      3.936351      4.240514
  H      -3.517092      4.442221      2.482805
  H      -4.027966      6.155010      2.555582
  H      -6.050753      7.096177      3.072494
  H      -8.165880      8.276703      2.659599
  H     -10.383461      6.082426     -0.713881
  H      -9.852357      4.045959     -2.113461
  H      -7.756346      2.755976     -1.618212
  H      -6.976681      1.245344      7.152879
  H      -6.668055      1.620203      5.440298
  H      -6.245212      4.072085      6.262755
  H      -7.097144      3.608918      7.740003
  H      -8.574226      4.712098      6.084888
  H      -9.144995      3.050095      6.431928
  H     -10.245877      5.079338      4.752808
  H     -12.008616      5.236242      3.030620
  H     -11.234047      1.947357     -0.090931
  H      -9.432281      0.195451     -0.367231
  H      -7.594694      0.081219      1.333552
  N      -4.606793      1.712493      3.662982
  N      -5.140706      1.608508      2.653883
100
Coordinates from ORCA-job orca E -6483.714183322655
  N      -2.557763      0.140051      5.109677
  Mo     -3.580922      1.833089      5.321778
  N      -5.007288      1.844346      6.674419
  C      -4.595441      2.000580      8.074225
  C      -3.198463      1.426007      8.267995
  N      -2.304212      1.883753      7.171645
  C      -1.167850      0.955052      6.943312
  C      -1.637240     -0.263438      6.170900
  C      -1.823865      3.277102      7.358334
  C      -1.590491      3.874204      5.972086
  N      -2.796132      3.692438      5.160339
  H      -0.748965     -0.779057      5.758809
  H      -2.128952     -0.996287      6.845034
  H      -0.428152      1.499003      6.340617
  H      -0.692347      0.675107      7.900626
  H      -1.325813      4.942087      6.065433
  H      -0.729172      3.382737      5.488266
  H      -2.614557      3.843996      7.869778
  H      -0.920999      3.295078      7.996566
  H      -5.290944      1.466062      8.749525
  H      -4.620396      3.064126      8.385716
  H      -3.250932      0.330082      8.203767
  H      -2.779848      1.694417      9.255040
  C      -2.872333     -0.982206      4.222707
  C      -1.858877     -1.118724      3.072304
  C      -2.133545     -0.157683      1.930228
  O      -3.282689     -0.703130      1.229551
  C      -3.991863     -0.050762      0.291391
  C      -5.103444     -0.738696     -0.188880
  C      -5.933320     -0.156674     -1.155391
  N      -5.752242      1.047250     -1.685338
  C      -4.663486      1.736787     -1.242383
  C      -4.424191      3.028336     -1.773552
  C      -3.327468      3.746738     -1.359013
  C      -2.459347      3.165557     -0.407840
  N      -2.640347      1.968681      0.124890
  C      -3.728335      1.247251     -0.263826
  C      -3.598857      4.915669      5.106898
  C      -4.785690      4.877656      4.145036
  C      -4.355666      5.086027      2.699056
  O      -5.373288      4.735928      1.739796
  C      -6.456662      5.515409      1.604091
  C      -6.723587      6.688143      2.299799
  C      -7.926450      7.381031      2.047330
  N      -8.846367      7.029271      1.163189
  C      -8.580276      5.901561      0.435927
  C      -9.489850      5.500012     -0.573346
  C      -9.210225      4.382060     -1.326564
  C      -8.031942      3.647772     -1.054719
  N      -7.160792      3.978338     -0.115704
  C      -7.413812      5.093256      0.617034
  C      -6.450819      1.933992      6.479798
  C      -6.981911      3.370609      6.668914
  C      -8.321191      3.641887      6.003534
  O      -8.211710      3.211211      4.632834
  C      -9.247368      3.405423      3.794574
  C     -10.243379      4.357753      3.939181
  C     -11.238885      4.463011      2.942284
  N     -11.331055      3.697633      1.866401
  C     -10.368579      2.737275      1.721377
  C     -10.420041      1.861145      0.609815
  C      -9.446703      0.897208      0.463135
  C      -8.424399      0.803281      1.435282
  N      -8.348557      1.583821      2.500295
  C      -9.293924      2.546194      2.644756
  H      -2.896426     -1.921121      4.808515
  H      -3.878344     -0.853269      3.799477
  H      -0.844025     -0.925307      3.455670
  H      -1.861189     -2.148467      2.679219
  H      -1.289396     -0.090710      1.229702
  H      -2.357875      0.852788      2.292543
  H      -5.325878     -1.728051      0.212458
  H      -6.806382     -0.715523     -1.509439
  H      -5.134720      3.419658     -2.502441
  H      -3.122969      4.745813     -1.746541
  H      -1.572288      3.713994     -0.072962
  H      -2.941488      5.763517      4.823947
  H      -3.983183      5.165272      6.118850
  H      -5.500475      5.652786      4.453605
  H      -5.315040      3.919609      4.221146
  H      -3.526997      4.407793      2.456568
  H      -4.025497      6.124579      2.522450
  H      -6.030014      7.088202      3.036455
  H      -8.131993      8.290869      2.622241
  H     -10.389747      6.098246     -0.723645
  H      -9.885060      4.049905     -2.117145
  H      -7.794884      2.746902     -1.630885
  H      -6.978304      1.250520      7.176230
  H      -6.674658      1.604345      5.458272
  H      -6.238526      4.062599      6.247161
  H      -7.079980      3.622736      7.736837
  H      -8.553958      4.717747      6.059550
  H      -9.147357      3.078645      6.471426
  H     -10.261404      5.044126      4.784491
  H     -12.004621      5.238308      3.050151
  H     -11.233786      1.983288     -0.106916
  H      -9.449613      0.214638     -0.388180
  H      -7.631854      0.056102      1.329083
  N      -4.621353      1.688749      3.672867
  N      -5.162023      1.575312      2.668502
100
Coordinates from ORCA-job orca E -6483.714347861094
  N      -2.558800      0.145759      5.108990
  Mo     -3.584518      1.837026      5.330579
  N      -5.004076      1.834633      6.690216
  C      -4.588535      1.989965      8.089019
  C      -3.186928      1.423776      8.275559
  N      -2.301122      1.886080      7.174294
  C      -1.162801      0.962440      6.936588
  C      -1.635231     -0.256989      6.168048
  C      -1.826801      3.281772      7.359271
  C      -1.599176      3.882074      5.973887
  N      -2.806245      3.698418      5.164489
  H      -0.748627     -0.774540      5.754849
  H      -2.125745     -0.987606      6.845377
  H      -0.430282      1.509464      6.328066
  H      -0.678268      0.682876      7.889515
  H      -1.337137      4.950353      6.069832
  H      -0.737401      3.394606      5.486665
  H      -2.620010      3.844141      7.871865
  H      -0.922742      3.305048      7.995754
  H      -5.278446      1.449296      8.765024
  H      -4.619017      3.052316      8.404486
  H      -3.233207      0.327596      8.211633
  H      -2.764477      1.694858      9.260136
  C      -2.877950     -0.976805      4.224945
  C      -1.864826     -1.123156      3.075724
  C      -2.133695     -0.161203      1.932944
  O      -3.288083     -0.699611      1.235520
  C      -3.986582     -0.048892      0.287465
  C      -5.092846     -0.736736     -0.203625
  C      -5.910368     -0.155865     -1.181529
  N      -5.721247      1.046013     -1.712626
  C      -4.637982      1.736211     -1.257634
  C      -4.392495      3.027331     -1.787167
  C      -3.303747      3.748028     -1.355942
  C      -2.448945      3.169190     -0.391527
  N      -2.634297      1.971532      0.137770
  C      -3.715688      1.248426     -0.266069
  C      -3.608462      4.921057      5.103611
  C      -4.787018      4.881394      4.131011
  C      -4.346511      5.092074      2.688406
  O      -5.358472      4.738923      1.724054
  C      -6.443425      5.516409      1.585083
  C      -6.710378      6.692118      2.275947
  C      -7.913865      7.383192      2.022842
  N      -8.836391      7.025119      1.144020
  C      -8.570970      5.894098      0.421998
  C      -9.485207      5.486061     -0.580726
  C      -9.205049      4.367821     -1.333000
  C      -8.020414      3.641100     -1.066792
  N      -7.145924      3.976447     -0.133668
  C      -7.400926      5.090027      0.600573
  C      -6.448088      1.921949      6.497353
  C      -6.972584      3.363776      6.665829
  C      -8.323253      3.632499      6.020437
  O      -8.249936      3.158096      4.662995
  C      -9.276198      3.379579      3.822908
  C     -10.268689      4.334097      3.980113
  C     -11.259488      4.460959      2.980620
  N     -11.351855      3.714813      1.891893
  C     -10.393876      2.751003      1.735214
  C     -10.448530      1.891591      0.611140
  C      -9.480576      0.923910      0.452325
  C      -8.461441      0.809794      1.424936
  N      -8.382752      1.574224      2.501687
  C      -9.323250      2.539322      2.658261
  H      -2.910459     -1.913841      4.813325
  H      -3.881710     -0.841104      3.798379
  H      -0.848510     -0.937481      3.458850
  H      -1.876153     -2.153354      2.683995
  H      -1.289995     -0.100135      1.231357
  H      -2.350624      0.851062      2.295200
  H      -5.320858     -1.724948      0.197249
  H      -6.779837     -0.714460     -1.544809
  H      -5.092459      3.416854     -2.526984
  H      -3.095457      4.747289     -1.740927
  H      -1.568898      3.719972     -0.042559
  H      -2.948691      5.768267      4.824305
  H      -4.001048      5.173122      6.111713
  H      -5.506772      5.653744      4.434771
  H      -5.314144      3.921300      4.199851
  H      -3.513917      4.417088      2.450778
  H      -4.019108      6.131676      2.513158
  H      -6.016153      7.095819      3.009972
  H      -8.118224      8.296246      2.592954
  H     -10.387304      6.081807     -0.727457
  H      -9.881959      4.030184     -2.119366
  H      -7.781486      2.742708     -1.645902
  H      -6.975700      1.251586      7.206037
  H      -6.675088      1.576124      5.482202
  H      -6.234021      4.043202      6.217292
  H      -7.048728      3.635326      7.730765
  H      -8.536566      4.713597      6.041417
  H      -9.148725      3.102319      6.526422
  H     -10.292929      5.002057      4.839615
  H     -12.023085      5.236735      3.100655
  H     -11.260120      2.029305     -0.105089
  H      -9.485069      0.254546     -0.409365
  H      -7.674902      0.057706      1.309617
  N      -4.633524      1.686785      3.686565
  N      -5.171424      1.560063      2.682543
100
Coordinates from ORCA-job orca E -6483.714466132631
  N      -2.563655      0.132805      5.116175
  Mo     -3.586644      1.826674      5.327903
  N      -5.008325      1.838616      6.686693
  C      -4.593027      2.003859      8.084470
  C      -3.194694      1.430980      8.275936
  N      -2.305803      1.882026      7.172724
  C      -1.169833      0.953309      6.943711
  C      -1.643379     -0.267750      6.178777
  C      -1.825646      3.276914      7.350488
  C      -1.595134      3.868482      5.961913
  N      -2.802653      3.681766      5.153821
  H      -0.757455     -0.788954      5.768766
  H      -2.135300     -0.995198      6.858581
  H      -0.432931      1.495240      6.336005
  H      -0.690213      0.676367      7.899879
  H      -1.331333      4.936750      6.051609
  H      -0.734425      3.376370      5.477488
  H      -2.617118      3.845283      7.859039
  H      -0.921497      3.299556      7.986653
  H      -5.285987      1.473306      8.765237
  H      -4.617529      3.069424      8.389014
  H      -3.247786      0.334794      8.216823
  H      -2.771416      1.705130      9.259218
  C      -2.864479     -0.987511      4.223099
  C      -1.838098     -1.114063      3.083461
  C      -2.108440     -0.146264      1.945858
  O      -3.245876     -0.697771      1.230762
  C      -3.964244     -0.043301      0.300020
  C      -5.070491     -0.738045     -0.181353
  C      -5.904619     -0.157510     -1.145303
  N      -5.733205      1.049625     -1.669683
  C      -4.651488      1.747141     -1.222997
  C      -4.425196      3.044735     -1.745279
  C      -3.334686      3.769986     -1.326562
  C      -2.458638      3.189543     -0.382391
  N      -2.627269      1.987351      0.142078
  C      -3.711067      1.259779     -0.248217
  C      -3.598515      4.907978      5.081161
  C      -4.781585      4.862019      4.114440
  C      -4.344757      5.055149      2.668941
  O      -5.369461      4.722279      1.711363
  C      -6.435978      5.524545      1.572968
  C      -6.670789      6.711726      2.255834
  C      -7.861567      7.426255      2.007624
  N      -8.800862      7.079414      1.142254
  C      -8.564560      5.939088      0.424677
  C      -9.496179      5.542394     -0.566352
  C      -9.242290      4.418021     -1.318978
  C      -8.065304      3.675073     -1.065727
  N      -7.177015      3.996453     -0.140044
  C      -7.407984      5.114468      0.595788
  C      -6.451797      1.928489      6.492095
  C      -6.975242      3.371854      6.653247
  C      -8.329493      3.630781      6.010882
  O      -8.265854      3.129801      4.662728
  C      -9.289477      3.349814      3.818507
  C     -10.281526      4.306354      3.968722
  C     -11.266790      4.432449      2.963755
  N     -11.353214      3.686311      1.874392
  C     -10.396204      2.720480      1.724939
  C     -10.442317      1.862604      0.599100
  C      -9.476680      0.890999      0.449511
  C      -8.468802      0.771004      1.432923
  N      -8.396712      1.535597      2.509884
  C      -9.333222      2.506076      2.656601
  H      -2.895227     -1.928506      4.804824
  H      -3.863924     -0.856491      3.785299
  H      -0.827402     -0.921122      3.477557
  H      -1.834867     -2.140546      2.681752
  H      -1.258268     -0.064946      1.254533
  H      -2.347786      0.858466      2.315079
  H      -5.285086     -1.730512      0.216121
  H      -6.772429     -0.722239     -1.503213
  H      -5.140724      3.435054     -2.469522
  H      -3.140209      4.773987     -1.706483
  H      -1.575617      3.743421     -0.045882
  H      -2.935904      5.748423      4.788642
  H      -3.984534      5.173183      6.088313
  H      -5.495412      5.642354      4.411211
  H      -5.312228      3.905244      4.200292
  H      -3.527970      4.362595      2.427162
  H      -3.996132      6.087287      2.489500
  H      -5.961901      7.106046      2.980889
  H      -8.040849      8.348465      2.571396
  H     -10.390550      6.151478     -0.705513
  H      -9.935021      4.088844     -2.094998
  H      -7.839168      2.774002     -1.645863
  H      -6.982437      1.261435      7.201593
  H      -6.678088      1.582161      5.477031
  H      -6.237857      4.048800      6.198677
  H      -7.050073      3.650563      7.716480
  H      -8.542507      4.712091      6.011171
  H      -9.151020      3.112533      6.535353
  H     -10.311522      4.974086      4.828305
  H     -12.030340      5.208935      3.079605
  H     -11.245013      2.005092     -0.126133
  H      -9.474166      0.224142     -0.414083
  H      -7.686479      0.013112      1.326616
  N      -4.640171      1.666064      3.687025
  N      -5.190883      1.540016      2.689608
100
Coordinates from ORCA-job orca E -6483.714582215909
  N      -2.561816      0.138899      5.117791
  Mo     -3.587921      1.831395      5.330935
  N      -5.008078      1.835333      6.691292
  C      -4.593529      1.996945      8.089410
  C      -3.193105      1.428127      8.278051
  N      -2.306881      1.885358      7.175126
  C      -1.167232      0.962154      6.943384
  C      -1.636848     -0.259365      6.176826
  C      -1.832898      3.281916      7.356828
  C      -1.600361      3.876315      5.969795
  N      -2.804647      3.684875      5.156871
  H      -0.749239     -0.775672      5.764016
  H      -2.123056     -0.990959      6.856460
  H      -0.433498      1.508508      6.335846
  H      -0.685250      0.685701      7.898547
  H      -1.342064      4.945657      6.061646
  H      -0.735611      3.389258      5.487413
  H      -2.628793      3.846332      7.862896
  H      -0.931251      3.307104      7.996496
  H      -5.284243      1.461002      8.768196
  H      -4.622132      3.061299      8.397947
  H      -3.243376      0.332004      8.215287
  H      -2.769677      1.700939      9.261540
  C      -2.864303     -0.983373      4.227234
  C      -1.841261     -1.110872      3.084694
  C      -2.113161     -0.140925      1.949572
  O      -3.255803     -0.688317      1.238684
  C      -3.969691     -0.032337      0.305711
  C      -5.075766     -0.725524     -0.178912
  C      -5.906658     -0.143477     -1.144842
  N      -5.732932      1.064167     -1.667215
  C      -4.652659      1.761104     -1.215796
  C      -4.426242      3.060150     -1.734262
  C      -3.339047      3.786275     -1.308823
  C      -2.466619      3.205197     -0.361714
  N      -2.635591      2.001425      0.159155
  C      -3.715645      1.272484     -0.238381
  C      -3.597017      4.912494      5.067687
  C      -4.770815      4.863264      4.090046
  C      -4.321063      5.036989      2.646162
  O      -5.345011      4.708425      1.686089
  C      -6.401635      5.522346      1.540823
  C      -6.615861      6.722151      2.208190
  C      -7.801365      7.446122      1.962257
  N      -8.755124      7.095487      1.114575
  C      -8.538470      5.942891      0.410384
  C      -9.487632      5.539297     -0.560817
  C      -9.253899      4.402493     -1.301365
  C      -8.078189      3.655315     -1.057097
  N      -7.174220      3.981681     -0.147507
  C      -7.387038      5.110469      0.577481
  C      -6.451678      1.917236      6.494955
  C      -6.986969      3.355718      6.658714
  C      -8.348632      3.598025      6.026767
  O      -8.286903      3.103632      4.676402
  C      -9.311504      3.328592      3.834227
  C     -10.304070      4.283602      3.991251
  C     -11.289405      4.416439      2.987123
  N     -11.373614      3.679274      1.891070
  C     -10.414357      2.717058      1.733840
  C     -10.454472      1.872496      0.597864
  C      -9.484781      0.906470      0.438705
  C      -8.477484      0.779655      1.422012
  N      -8.411156      1.531763      2.508202
  C      -9.352506      2.495797      2.665016
  H      -2.893320     -1.923405      4.810497
  H      -3.864719     -0.853210      3.791509
  H      -0.828334     -0.921698      3.474686
  H      -1.843177     -2.136654      2.680932
  H      -1.266079     -0.062173      1.254113
  H      -2.348718      0.864108      2.319866
  H      -5.292270     -1.718172      0.216974
  H      -6.773410     -0.707660     -1.506191
  H      -5.139514      3.450952     -2.460547
  H      -3.144678      4.791822     -1.684704
  H      -1.586490      3.760003     -0.019219
  H      -2.929253      5.748912      4.775360
  H      -3.991798      5.185729      6.069248
  H      -5.481175      5.652570      4.371245
  H      -5.309286      3.911376      4.182159
  H      -3.511202      4.332858      2.415163
  H      -3.958441      6.063310      2.460309
  H      -5.895600      7.118234      2.921117
  H      -7.964216      8.378739      2.513791
  H     -10.379909      6.152516     -0.695407
  H      -9.961963      4.067772     -2.061003
  H      -7.864547      2.745882     -1.628847
  H      -6.978986      1.244572      7.201618
  H      -6.674287      1.572944      5.478204
  H      -6.259482      4.038882      6.196936
  H      -7.056335      3.634809      7.722245
  H      -8.577999      4.676023      6.032267
  H      -9.158924      3.066861      6.555892
  H     -10.334969      4.943494      4.856877
  H     -12.054255      5.190657      3.109119
  H     -11.255547      2.021352     -0.127983
  H      -9.476883      0.250698     -0.433278
  H      -7.690271      0.028152      1.307338
  N      -4.643408      1.664638      3.691707
  N      -5.194321      1.531261      2.695242
100
Coordinates from ORCA-job orca E -6483.714700251780
  N      -2.556930      0.146584      5.118729
  Mo     -3.587465      1.837335      5.332220
  N      -5.006932      1.830162      6.693377
  C      -4.594256      1.989179      8.091884
  C      -3.191717      1.425328      8.279508
  N      -2.307581      1.889464      7.177612
  C      -1.163531      0.972716      6.943584
  C      -1.629046     -0.249264      6.175730
  C      -1.841402      3.287836      7.364377
  C      -1.608325      3.888151      5.980306
  N      -2.809164      3.691514      5.162872
  H      -0.739900     -0.762236      5.762036
  H      -2.112424     -0.983148      6.855021
  H      -0.433315      1.523689      6.335915
  H      -0.679349      0.696961      7.897815
  H      -1.358146      4.958888      6.077150
  H      -0.738435      3.409390      5.498744
  H      -2.642271      3.846578      7.868861
  H      -0.942245      3.316107      8.007449
  H      -5.283358      1.447878      8.768069
  H      -4.627379      3.052302      8.404399
  H      -3.237840      0.329209      8.214432
  H      -2.769325      1.697873      9.263458
  C      -2.860168     -0.977716      4.230845
  C      -1.840096     -1.108012      3.085900
  C      -2.113540     -0.136993      1.952132
  O      -3.260389     -0.681077      1.245371
  C      -3.968479     -0.025321      0.307953
  C      -5.074529     -0.716054     -0.180398
  C      -5.899618     -0.133382     -1.150955
  N      -5.719314      1.072521     -1.675348
  C      -4.638585      1.766712     -1.220611
  C      -4.404935      3.063249     -1.741822
  C      -3.319043      3.787919     -1.310635
  C      -2.456659      3.208565     -0.353458
  N      -2.631751      2.006381      0.169170
  C      -3.708625      1.277844     -0.236676
  C      -3.600714      4.918855      5.060482
  C      -4.764990      4.864639      4.072128
  C      -4.300604      5.025421      2.631493
  O      -5.322480      4.703169      1.666905
  C      -6.371180      5.526995      1.518125
  C      -6.567799      6.735856      2.174560
  C      -7.749398      7.467771      1.933340
  N      -8.716426      7.115018      1.101728
  C      -8.516229      5.954100      0.406429
  C      -9.480920      5.546364     -0.547513
  C      -9.261555      4.403635     -1.283465
  C      -8.084750      3.654725     -1.051566
  N      -7.168363      3.982808     -0.154953
  C      -7.367613      5.116336      0.565833
  C      -6.450158      1.906249      6.494823
  C      -6.989878      3.343766      6.650177
  C      -8.361528      3.573871      6.035690
  O      -8.318658      3.065654      4.690185
  C      -9.341542      3.302502      3.849834
  C     -10.332297      4.258356      4.014189
  C     -11.316434      4.401804      3.010362
  N     -11.402242      3.673038      1.908793
  C     -10.445402      2.709679      1.744709
  C     -10.488888      1.872165      0.603861
  C      -9.520597      0.906197      0.436574
  C      -8.511285      0.772242      1.416901
  N      -8.442544      1.516879      2.508224
  C      -9.383510      2.479870      2.673552
  H      -2.887243     -1.916354      4.816506
  H      -3.861587     -0.849477      3.797033
  H      -0.825331     -0.921500      3.472161
  H      -1.846313     -2.133747      2.682167
  H      -1.268805     -0.060911      1.253337
  H      -2.344686      0.868904      2.322988
  H      -5.295829     -1.707216      0.216545
  H      -6.767189     -0.695111     -1.514014
  H      -5.111808      3.453344     -2.474611
  H      -3.119357      4.791881     -1.687873
  H      -1.579124      3.762996     -0.004320
  H      -2.930437      5.753888      4.770215
  H      -4.005323      5.196547      6.056835
  H      -5.476260      5.658076      4.339711
  H      -5.306970      3.914796      4.165721
  H      -3.496945      4.311309      2.410513
  H      -3.924629      6.046450      2.443208
  H      -5.837431      7.131858      2.877287
  H      -7.898023      8.407876      2.476054
  H     -10.372267      6.162388     -0.675296
  H      -9.981282      4.066881     -2.031117
  H      -7.880447      2.743187     -1.622931
  H      -6.976411      1.235862      7.204588
  H      -6.670934      1.555859      5.479857
  H      -6.272141      4.024723      6.169792
  H      -7.044510      3.633214      7.711752
  H      -8.595258      4.650887      6.033012
  H      -9.161969      3.045672      6.582600
  H     -10.363910      4.909511      4.886259
  H     -12.080165      5.176077      3.138560
  H     -11.291402      2.026401     -0.119260
  H      -9.514929      0.255939     -0.439584
  H      -7.724186      0.021967      1.295054
  N      -4.647112      1.662565      3.696247
  N      -5.201254      1.520603      2.702581
100
Coordinates from ORCA-job orca E -6483.714806174954
  N      -2.550884      0.154818      5.122522
  Mo     -3.587734      1.842216      5.338585
  N      -5.006937      1.823438      6.699613
  C      -4.596204      1.979508      8.098627
  C      -3.191787      1.419696      8.285051
  N      -2.308893      1.892045      7.185242
  C      -1.160151      0.982051      6.948933
  C      -1.619815     -0.239649      6.176964
  C      -1.850061      3.291910      7.378705
  C      -1.617543      3.899837      5.998305
  N      -2.814651      3.697695      5.176160
  H      -0.728273     -0.746573      5.761009
  H      -2.099175     -0.978520      6.853815
  H      -0.432667      1.538623      6.342982
  H      -0.674904      0.706151      7.902537
  H      -1.377170      4.972184      6.101113
  H      -0.741836      3.431179      5.517189
  H      -2.654847      3.844660      7.883500
  H      -0.952811      3.321907      8.024394
  H      -5.284062      1.433269      8.772168
  H      -4.633065      3.041281      8.415288
  H      -3.233978      0.323695      8.216292
  H      -2.770603      1.690383      9.270084
  C      -2.851205     -0.969530      4.233419
  C      -1.834298     -1.092943      3.084784
  C      -2.116823     -0.123944      1.951306
  O      -3.260793     -0.675995      1.245734
  C      -3.969351     -0.027017      0.304262
  C      -5.068696     -0.725925     -0.187931
  C      -5.893233     -0.151332     -1.163696
  N      -5.717083      1.053734     -1.691950
  C      -4.641954      1.755107     -1.234770
  C      -4.411280      3.049762     -1.761836
  C      -3.332275      3.782743     -1.327178
  C      -2.474637      3.213999     -0.359436
  N      -2.646359      2.013321      0.167901
  C      -3.715244      1.276011     -0.242919
  C      -3.605789      4.924666      5.062031
  C      -4.761905      4.864591      4.065272
  C      -4.283057      5.011891      2.627459
  O      -5.301940      4.700952      1.655553
  C      -6.339798      5.537510      1.499683
  C      -6.517074      6.757183      2.141760
  C      -7.691664      7.500250      1.899906
  N      -8.670090      7.147416      1.081632
  C      -8.487840      5.976312      0.398486
  C      -9.466214      5.565740     -0.540104
  C      -9.263435      4.413922     -1.266869
  C      -8.088837      3.659743     -1.042501
  N      -7.161667      3.988700     -0.157176
  C      -7.345489      5.129308      0.556137
  C      -6.449553      1.894853      6.497267
  C      -6.993808      3.330616      6.646771
  C      -8.373375      3.548724      6.046486
  O      -8.341074      3.035754      4.702204
  C      -9.362663      3.280292      3.862618
  C     -10.353124      4.235490      4.032928
  C     -11.335754      4.387503      3.029063
  N     -11.421280      3.666744      1.922180
  C     -10.465571      2.703556      1.752056
  C     -10.509017      1.874599      0.604957
  C      -9.540533      0.910358      0.430064
  C      -8.530289      0.769757      1.408805
  N      -8.461814      1.505940      2.505901
  C      -9.404113      2.466444      2.679767
  H      -2.869492     -1.909000      4.818257
  H      -3.855423     -0.848118      3.804260
  H      -0.819352     -0.900202      3.467565
  H      -1.835295     -2.118733      2.681350
  H      -1.273832     -0.043030      1.250815
  H      -2.353528      0.880826      2.321636
  H      -5.285586     -1.717445      0.210746
  H      -6.756102     -0.719222     -1.528344
  H      -5.115271      3.431799     -2.501653
  H      -3.135137      4.785664     -1.708518
  H      -1.604528      3.776407     -0.004532
  H      -2.934275      5.758916      4.772804
  H      -4.018393      5.206022      6.054025
  H      -5.473520      5.662235      4.319311
  H      -5.307761      3.917399      4.162279
  H      -3.488501      4.284738      2.416249
  H      -3.889311      6.025963      2.438159
  H      -5.777299      7.152294      2.835068
  H      -7.824647      8.449243      2.431093
  H     -10.354459      6.186794     -0.665288
  H      -9.994460      4.075342     -2.002713
  H      -7.896180      2.743757     -1.610543
  H      -6.975950      1.224770      7.207462
  H      -6.667284      1.541136      5.482818
  H      -6.285431      4.010914      6.151171
  H      -7.036586      3.628611      7.706525
  H      -8.615447      4.623790      6.044452
  H      -9.163916      3.014965      6.602519
  H     -10.384923      4.880213      4.909747
  H     -12.098846      5.161656      3.161684
  H     -11.311932      2.034000     -0.116688
  H      -9.535616      0.265662     -0.450230
  H      -7.741982      0.021766      1.280586
  N      -4.652918      1.660676      3.707692
  N      -5.214289      1.512021      2.719127
100
Coordinates from ORCA-job orca E -6483.714892000449
  N      -2.539697      0.165232      5.125234
  Mo     -3.581684      1.849531      5.339929
  N      -5.008005      1.819436      6.694112
  C      -4.606176      1.971318      8.095592
  C      -3.201959      1.413590      8.287601
  N      -2.314728      1.893835      7.195192
  C      -1.160710      0.989501      6.961343
  C      -1.611760     -0.230734      6.181666
  C      -1.862811      3.294675      7.399053
  C      -1.623782      3.912697      6.023940
  N      -2.813217      3.705767      5.191428
  H      -0.716776     -0.732726      5.767234
  H      -2.091905     -0.974089      6.853013
  H      -0.432129      1.551423      6.361619
  H      -0.679787      0.711833      7.916549
  H      -1.394161      4.986383      6.135850
  H      -0.739970      3.455206      5.546785
  H      -2.673303      3.841352      7.901238
  H      -0.970344      3.324845      8.051277
  H      -5.296637      1.420594      8.762803
  H      -4.647290      3.031552      8.416680
  H      -3.240680      0.317812      8.214195
  H      -2.786737      1.680989      9.276114
  C      -2.838120     -0.957499      4.233503
  C      -1.823576     -1.078464      3.082729
  C      -2.111774     -0.109550      1.950380
  O      -3.259068     -0.663382      1.251561
  C      -3.971265     -0.020060      0.308597
  C      -5.072769     -0.722236     -0.174230
  C      -5.902527     -0.154807     -1.149532
  N      -5.728778      1.046176     -1.688087
  C      -4.651282      1.750395     -1.241273
  C      -4.421774      3.040029     -1.781004
  C      -3.341348      3.776908     -1.356568
  C      -2.482085      3.217797     -0.384782
  N      -2.652235      2.021967      0.154069
  C      -3.721160      1.279813     -0.248322
  C      -3.604338      4.931614      5.061166
  C      -4.749698      4.865660      4.052200
  C      -4.255423      4.996728      2.618144
  O      -5.273905      4.698825      1.641864
  C      -6.300615      5.549309      1.485489
  C      -6.455545      6.776602      2.118896
  C      -7.622386      7.533379      1.882055
  N      -8.615064      7.185092      1.079043
  C      -8.455666      6.005283      0.405338
  C      -9.452510      5.595127     -0.513774
  C      -9.271846      4.434417     -1.232353
  C      -8.099797      3.672520     -1.021224
  N      -7.157080      4.000369     -0.152920
  C      -7.320177      5.147121      0.554732
  C      -6.449513      1.887571      6.485973
  C      -6.996502      3.322524      6.627689
  C      -8.383473      3.527888      6.041076
  O      -8.361190      3.008171      4.699103
  C      -9.384611      3.254478      3.863020
  C     -10.377451      4.206232      4.038709
  C     -11.362009      4.359463      3.037180
  N     -11.448584      3.641645      1.928536
  C     -10.491993      2.680266      1.754000
  C     -10.537810      1.852754      0.605923
  C      -9.567954      0.890918      0.426396
  C      -8.553503      0.751502      1.401151
  N      -8.482613      1.485944      2.499283
  C      -9.427343      2.443379      2.678275
  H      -2.852473     -1.897694      4.817367
  H      -3.843645     -0.839000      3.806583
  H      -0.808029     -0.883743      3.462986
  H      -1.823159     -2.104304      2.679565
  H      -1.272105     -0.027671      1.246065
  H      -2.347158      0.895044      2.321910
  H      -5.287183     -1.711319      0.231851
  H      -6.767556     -0.725035     -1.505154
  H      -5.127997      3.415072     -2.522312
  H      -3.144620      4.775772     -1.748563
  H      -1.612319      3.784443     -0.035701
  H      -2.930486      5.764947      4.775343
  H      -4.028770      5.216941      6.046933
  H      -5.461010      5.668665      4.290071
  H      -5.300979      3.921381      4.152332
  H      -3.472679      4.254121      2.417244
  H      -3.841122      6.002111      2.426785
  H      -5.703990      7.166550      2.802428
  H      -7.736738      8.489226      2.405150
  H     -10.336876      6.223050     -0.631811
  H     -10.017588      4.096288     -1.953437
  H      -7.922885      2.752821     -1.588151
  H      -6.977397      1.219422      7.197047
  H      -6.664194      1.529405      5.472514
  H      -6.297124      4.000696      6.116494
  H      -7.027853      3.631345      7.684737
  H      -8.634809      4.600650      6.038475
  H      -9.163289      2.988168      6.606481
  H     -10.409048      4.847828      4.917815
  H     -12.126676      5.131458      3.173284
  H     -11.344050      2.010858     -0.112174
  H      -9.565878      0.246097     -0.453803
  H      -7.764187      0.005317      1.268977
  N      -4.643579      1.661326      3.708424
  N      -5.207459      1.508311      2.721782
100
Coordinates from ORCA-job orca E -6483.714976834099
  N      -2.531458      0.167900      5.129405
  Mo     -3.582126      1.846867      5.344726
  N      -5.009188      1.810107      6.698363
  C      -4.608375      1.962978      8.100042
  C      -3.202496      1.409258      8.291813
  N      -2.316478      1.895266      7.200806
  C      -1.157545      0.997353      6.967027
  C      -1.600421     -0.224280      6.184479
  C      -1.870611      3.297772      7.407305
  C      -1.634354      3.920002      6.033994
  N      -2.820541      3.705143      5.199022
  H      -0.702091     -0.718209      5.767658
  H      -2.074885     -0.973108      6.853708
  H      -0.430824      1.564205      6.369629
  H      -0.676764      0.721027      7.922669
  H      -1.414795      4.995418      6.148816
  H      -0.745339      3.471409      5.557930
  H      -2.682783      3.840182      7.911311
  H      -0.977905      3.330154      8.059049
  H      -5.297630      1.410524      8.767062
  H      -4.651997      3.022976      8.421508
  H      -3.237004      0.313474      8.216190
  H      -2.788334      1.675864      9.281083
  C      -2.821864     -0.954449      4.234846
  C      -1.808982     -1.060312      3.081428
  C      -2.108191     -0.093604      1.950312
  O      -3.249630     -0.657435      1.250603
  C      -3.969090     -0.015646      0.312513
  C      -5.068899     -0.721493     -0.168542
  C      -5.903736     -0.155977     -1.140451
  N      -5.736445      1.046590     -1.677974
  C      -4.660085      1.753939     -1.233543
  C      -4.435541      3.044421     -1.773597
  C      -3.355531      3.784066     -1.352852
  C      -2.491914      3.227275     -0.383549
  N      -2.657090      2.030918      0.155485
  C      -3.725384      1.285633     -0.243681
  C      -3.610594      4.930169      5.053117
  C      -4.750777      4.854813      4.039638
  C      -4.246968      4.963563      2.606940
  O      -5.267303      4.681716      1.628035
  C      -6.279061      5.549128      1.466673
  C      -6.411365      6.784547      2.089299
  C      -7.564863      7.559802      1.846686
  N      -8.565874      7.220866      1.049692
  C      -8.429731      6.030946      0.388812
  C      -9.438457      5.625490     -0.519467
  C      -9.280686      4.452923     -1.224354
  C      -8.118518      3.675747     -1.012529
  N      -7.166210      3.999307     -0.153200
  C      -7.307819      5.155613      0.542793
  C      -6.450731      1.875928      6.487955
  C      -6.999118      3.310549      6.624006
  C      -8.390949      3.510509      6.046419
  O      -8.375456      2.987667      4.704804
  C      -9.399000      3.236975      3.870046
  C     -10.392208      4.187751      4.049925
  C     -11.375062      4.347604      3.047973
  N     -11.460714      3.636863      1.934853
  C     -10.505458      2.674848      1.756507
  C     -10.551601      1.853218      0.603969
  C      -9.584132      0.889618      0.421261
  C      -8.571862      0.742354      1.397247
  N      -8.500309      1.471419      2.498693
  C      -9.442446      2.430861      2.681207
  H      -2.823234     -1.897098      4.814934
  H      -3.830564     -0.846199      3.812746
  H      -0.795460     -0.854120      3.461335
  H      -1.796495     -2.085593      2.676928
  H      -1.269368     -0.002030      1.246339
  H      -2.353646      0.908023      2.323607
  H      -5.277803     -1.712348      0.236197
  H      -6.767679     -0.729006     -1.494246
  H      -5.145367      3.417621     -2.512394
  H      -3.162143      4.783066     -1.746206
  H      -1.623053      3.796684     -0.036376
  H      -2.935571      5.760703      4.762310
  H      -4.039151      5.224209      6.034472
  H      -5.459776      5.664528      4.261447
  H      -5.307140      3.915009      4.150971
  H      -3.480434      4.201896      2.414749
  H      -3.808833      5.957807      2.410318
  H      -5.651598      7.166807      2.768211
  H      -7.660520      8.523140      2.359689
  H     -10.313802      6.265428     -0.640460
  H     -10.037010      4.117409     -1.935574
  H      -7.959435      2.748804     -1.572692
  H      -6.979282      1.209762      7.200394
  H      -6.664468      1.513930      5.475702
  H      -6.305443      3.987075      6.103052
  H      -7.022771      3.626746      7.679132
  H      -8.645635      4.582273      6.044630
  H      -9.165014      2.967524      6.616542
  H     -10.424436      4.824819      4.932287
  H     -12.139456      5.119393      3.187405
  H     -11.356180      2.017322     -0.114700
  H      -9.582935      0.248689     -0.461801
  H      -7.784569     -0.005801      1.262904
  N      -4.652932      1.647785      3.721322
  N      -5.230721      1.489177      2.743227
100
Coordinates from ORCA-job orca E -6483.715059478766
  N      -2.520648      0.175548      5.132115
  Mo     -3.580528      1.847737      5.351035
  N      -5.010278      1.798372      6.702573
  C      -4.612433      1.946819      8.105633
  C      -3.204513      1.398728      8.296633
  N      -2.319500      1.895280      7.210032
  C      -1.154078      1.006178      6.974357
  C      -1.586099     -0.214789      6.184739
  C      -1.881826      3.299295      7.424356
  C      -1.646663      3.930416      6.054873
  N      -2.827953      3.709388      5.214818
  H      -0.683507     -0.697492      5.763948
  H      -2.053229     -0.972055      6.849447
  H      -0.429368      1.581047      6.382239
  H      -0.674010      0.728229      7.929933
  H      -1.437528      5.007117      6.176490
  H      -0.751671      3.492518      5.579917
  H      -2.697161      3.834619      7.930762
  H      -0.989612      3.333067      8.076684
  H      -5.300176      1.388715      8.769401
  H      -4.661010      3.005231      8.431627
  H      -3.233201      0.303213      8.214288
  H      -2.793069      1.661276      9.288140
  C      -2.805612     -0.945438      4.234101
  C      -1.794971     -1.040387      3.077828
  C      -2.103355     -0.075234      1.948012
  O      -3.243287     -0.646529      1.252290
  C      -3.970451     -0.010575      0.315797
  C      -5.071268     -0.721517     -0.155001
  C      -5.912325     -0.163531     -1.125828
  N      -5.750758      1.036211     -1.671242
  C      -4.673948      1.748713     -1.236580
  C      -4.454626      3.036159     -1.786223
  C      -3.373147      3.780002     -1.377111
  C      -2.502777      3.230776     -0.409495
  N      -2.663032      2.037928      0.138504
  C      -3.732826      1.288271     -0.249037
  C      -3.618632      4.932202      5.055567
  C      -4.751994      4.847700      4.035417
  C      -4.240170      4.941508      2.604537
  O      -5.259551      4.669491      1.621841
  C      -6.257252      5.550969      1.449393
  C      -6.368226      6.796910      2.054925
  C      -7.507033      7.589363      1.799679
  N      -8.513425      7.257154      1.006606
  C      -8.399608      6.054817      0.364483
  C      -9.416968      5.653024     -0.535988
  C      -9.282046      4.466075     -1.221295
  C      -8.132746      3.672152     -0.999301
  N      -7.173451      3.992898     -0.147345
  C      -7.293192      5.162031      0.531382
  C      -6.452390      1.860343      6.491656
  C      -7.005520      3.292866      6.628859
  C      -8.401040      3.487056      6.058030
  O      -8.388525      2.966541      4.715233
  C      -9.412935      3.219571      3.882980
  C     -10.408221      4.166954      4.070104
  C     -11.389776      4.334491      3.068131
  N     -11.472345      3.634744      1.947824
  C     -10.515696      2.675246      1.762512
  C     -10.559125      1.863943      0.602439
  C      -9.591420      0.901665      0.413601
  C      -8.581714      0.745725      1.390702
  N      -8.512148      1.465542      2.498255
  C      -9.454393      2.423439      2.687107
  H      -2.798359     -1.890366      4.810370
  H      -3.816339     -0.843033      3.815459
  H      -0.782475     -0.826865      3.456564
  H      -1.775060     -2.065037      2.671797
  H      -1.266801      0.022258      1.242275
  H      -2.354694      0.924522      2.322763
  H      -5.275667     -1.710567      0.256341
  H      -6.776595     -0.740642     -1.472193
  H      -5.169630      3.403374     -2.523014
  H      -3.183349      4.776395     -1.778771
  H      -1.632441      3.803554     -0.071696
  H      -2.943204      5.761875      4.763249
  H      -4.053521      5.231794      6.032401
  H      -5.461072      5.660536      4.244649
  H      -5.310101      3.909792      4.153354
  H      -3.484086      4.167891      2.419518
  H      -3.786383      5.928273      2.404764
  H      -5.601913      7.174910      2.728852
  H      -7.585333      8.561895      2.298036
  H     -10.280619      6.306814     -0.666832
  H     -10.045882      4.132309     -1.925245
  H      -7.990714      2.734727     -1.546544
  H      -6.978907      1.192195      7.203574
  H      -6.665785      1.498295      5.479244
  H      -6.317214      3.971857      6.104172
  H      -7.025533      3.610714      7.683628
  H      -8.660659      4.557562      6.058806
  H      -9.169819      2.938906      6.630235
  H     -10.443095      4.795819      4.958213
  H     -12.155895      5.103485      3.213766
  H     -11.362047      2.034531     -0.116571
  H      -9.588194      0.268678     -0.475167
  H      -7.794835     -0.001952      1.252080
  N      -4.655981      1.641650      3.731745
  N      -5.243330      1.476564      2.760782
100
Coordinates from ORCA-job orca E -6483.715149378813
  N      -2.510183      0.182375      5.134139
  Mo     -3.579474      1.846219      5.361682
  N      -5.012111      1.784230      6.710886
  C      -4.616971      1.927057      8.115663
  C      -3.206728      1.385197      8.304929
  N      -2.323357      1.892416      7.222454
  C      -1.151870      1.011865      6.983161
  C      -1.572727     -0.207488      6.184819
  C      -1.893573      3.298041      7.443759
  C      -1.658149      3.936526      6.077703
  N      -2.833682      3.710933      5.230729
  H      -0.665229     -0.677602      5.760060
  H      -2.032114     -0.974626      6.843416
  H      -0.429194      1.595534      6.397272
  H      -0.671905      0.730868      7.938081
  H      -1.457195      5.014105      6.205623
  H      -0.757326      3.507288      5.605638
  H      -2.711985      3.826632      7.952277
  H      -1.001690      3.333436      8.096612
  H      -5.302743      1.362444      8.775858
  H      -4.671143      2.983553      8.447322
  H      -3.229231      0.289993      8.215106
  H      -2.797558      1.643086      9.298623
  C      -2.789820     -0.935573      4.230239
  C      -1.782718     -1.014352      3.069635
  C      -2.104089     -0.048968      1.943609
  O      -3.243039     -0.627269      1.252141
  C      -3.977756      0.004903      0.318717
  C      -5.076067     -0.712454     -0.147779
  C      -5.921241     -0.160501     -1.118648
  N      -5.767012      1.039187     -1.666280
  C      -4.694200      1.759058     -1.233776
  C      -4.483307      3.047529     -1.784986
  C      -3.405361      3.797897     -1.378643
  C      -2.528720      3.253719     -0.413529
  N      -2.681107      2.060404      0.135447
  C      -3.748774      1.304968     -0.247498
  C      -3.621000      4.932928      5.052467
  C      -4.746085      4.840807      4.024216
  C      -4.227534      4.910675      2.594600
  O      -5.248565      4.646128      1.611925
  C      -6.230392      5.542069      1.425858
  C      -6.320056      6.798309      2.013287
  C      -7.440626      7.609779      1.738910
  N      -8.448160      7.286717      0.943386
  C      -8.357664      6.071088      0.323162
  C      -9.380459      5.675148     -0.574201
  C      -9.271566      4.471160     -1.233643
  C      -8.141222      3.655530     -0.990257
  N      -7.177063      3.972231     -0.142794
  C      -7.271890      5.157664      0.512212
  C      -6.454694      1.845549      6.499300
  C      -7.008258      3.277854      6.634266
  C      -8.405738      3.470457      6.067699
  O      -8.396868      2.950333      4.724361
  C      -9.425394      3.203320      3.897578
  C     -10.421435      4.148694      4.091853
  C     -11.406687      4.319086      3.093621
  N     -11.490773      3.625925      1.969214
  C     -10.532717      2.668644      1.776765
  C     -10.576846      1.864315      0.611774
  C      -9.608893      0.903253      0.416410
  C      -8.598297      0.742180      1.391615
  N      -8.527840      1.455916      2.503000
  C      -9.469795      2.412445      2.698166
  H      -2.772896     -1.884436      4.799730
  H      -3.802925     -0.838393      3.816151
  H      -0.771619     -0.791578      3.447069
  H      -1.752989     -2.037245      2.659409
  H      -1.271354      0.057168      1.234764
  H      -2.362166      0.947748      2.322454
  H      -5.274233     -1.702132      0.265122
  H      -6.782209     -0.743350     -1.464048
  H      -5.202326      3.410059     -2.520381
  H      -3.222617      4.795306     -1.781281
  H      -1.660386      3.831664     -0.078395
  H      -2.941560      5.758511      4.757287
  H      -4.062612      5.243546      6.022811
  H      -5.450407      5.661790      4.217340
  H      -5.311224      3.908560      4.152355
  H      -3.484776      4.122114      2.418425
  H      -3.756008      5.887555      2.386060
  H      -5.549787      7.170764      2.685922
  H      -7.501873      8.591444      2.221712
  H     -10.227528      6.346942     -0.722181
  H     -10.040729      4.139385     -1.932776
  H      -8.020159      2.703640     -1.517527
  H      -6.980460      1.178513      7.212511
  H      -6.668690      1.481458      5.487563
  H      -6.321834      3.956292      6.106247
  H      -7.025472      3.599140      7.688207
  H      -8.665264      4.541099      6.066683
  H      -9.172900      2.923305      6.642821
  H     -10.454874      4.773786      4.982764
  H     -12.174000      5.085753      3.246024
  H     -11.379991      2.039777     -0.105982
  H      -9.605235      0.276856     -0.477075
  H      -7.811290     -0.004623      1.247747
  N      -4.659599      1.634154      3.746660
  N      -5.257664      1.457034      2.784592
100
Coordinates from ORCA-job orca E -6483.715237083997
  N      -2.495888      0.193224      5.133103
  Mo     -3.579357      1.846324      5.367727
  N      -5.015058      1.763666      6.713963
  C      -4.623996      1.898393      8.120842
  C      -3.209378      1.368419      8.308929
  N      -2.329140      1.892031      7.232031
  C      -1.148188      1.025217      6.988643
  C      -1.554504     -0.192923      6.181583
  C      -1.913579      3.300157      7.463886
  C      -1.679484      3.950131      6.103379
  N      -2.848322      3.717692      5.249373
  H      -0.641243     -0.649145      5.753892
  H      -2.005063     -0.970057      6.834403
  H      -0.430313      1.620742      6.408889
  H      -0.667081      0.742071      7.942410
  H      -1.490947      5.028849      6.240434
  H      -0.771305      3.534407      5.633140
  H      -2.738360      3.817138      7.973912
  H      -1.023366      3.339648      8.118827
  H      -5.306195      1.322495      8.774904
  H      -4.688489      2.951672      8.460987
  H      -3.221249      0.273701      8.210683
  H      -2.804547      1.622472      9.305357
  C      -2.768007     -0.924602      4.226555
  C      -1.764326     -0.990356      3.061990
  C      -2.100214     -0.026103      1.939302
  O      -3.241033     -0.611324      1.257276
  C      -3.980716      0.011647      0.321534
  C      -5.081556     -0.710116     -0.131825
  C      -5.929609     -0.168356     -1.106048
  N      -5.776001      1.024631     -1.668052
  C      -4.701848      1.749156     -1.247013
  C      -4.491883      3.031067     -1.813697
  C      -3.412369      3.785245     -1.419005
  C      -2.533796      3.251980     -0.449458
  N      -2.685340      2.065256      0.113703
  C      -3.753817      1.305812     -0.258504
  C      -3.636350      4.936845      5.057691
  C      -4.752143      4.837009      4.020746
  C      -4.222742      4.889804      2.594969
  O      -5.242094      4.629103      1.610112
  C      -6.210250      5.536522      1.410332
  C      -6.283539      6.800547      1.983070
  C      -7.388657      7.626825      1.691124
  N      -8.395481      7.310807      0.891891
  C      -8.322038      6.085558      0.288758
  C      -9.346730      5.694732     -0.608859
  C      -9.256256      4.479145     -1.249119
  C      -8.141717      3.647363     -0.986202
  N      -7.176791      3.959239     -0.138142
  C      -7.253855      5.156367      0.497858
  C      -6.457483      1.825045      6.501610
  C      -7.010401      3.256741      6.644336
  C      -8.410426      3.451560      6.085874
  O      -8.407744      2.937195      4.740561
  C      -9.441028      3.193884      3.921179
  C     -10.440172      4.133472      4.127566
  C     -11.428322      4.310294      3.132982
  N     -11.511039      3.630249      2.000432
  C     -10.549960      2.678032      1.796628
  C     -10.591588      1.887576      0.622250
  C      -9.622511      0.929450      0.417303
  C      -8.612780      0.758500      1.391591
  N      -8.543201      1.461089      2.510204
  C      -9.486334      2.414242      2.714753
  H      -2.740789     -1.875184      4.792565
  H      -3.783138     -0.835016      3.815891
  H      -0.754264     -0.757945      3.436265
  H      -1.725886     -2.011911      2.649164
  H      -1.273361      0.085796      1.224580
  H      -2.362124      0.968688      2.320977
  H      -5.278954     -1.694843      0.292960
  H      -6.791978     -0.754450     -1.442320
  H      -5.212689      3.385319     -2.551403
  H      -3.230464      4.777956     -1.833462
  H      -1.664429      3.833277     -0.123349
  H      -2.955756      5.761888      4.763231
  H      -4.086432      5.253170      6.022214
  H      -5.454877      5.663020      4.199028
  H      -5.321599      3.907723      4.153911
  H      -3.488221      4.091755      2.428377
  H      -3.738861      5.859596      2.381659
  H      -5.511885      7.168343      2.656807
  H      -7.437384      8.615139      2.161619
  H     -10.179882      6.380359     -0.771957
  H     -10.027306      4.149385     -1.947156
  H      -8.035381      2.685719     -1.498326
  H      -6.982655      1.154766      7.212081
  H      -6.671965      1.465644      5.488179
  H      -6.326093      3.937387      6.115957
  H      -7.022833      3.573898      7.699625
  H      -8.669551      4.522385      6.088184
  H      -9.175049      2.903871      6.663769
  H     -10.474798      4.749193      5.024889
  H     -12.198422      5.072023      3.295650
  H     -11.393889      2.070800     -0.094507
  H      -9.617214      0.313481     -0.483389
  H      -7.825657      0.013338      1.240400
  N      -4.663475      1.628386      3.755243
  N      -5.271061      1.440029      2.801089
100
Coordinates from ORCA-job orca E -6483.715288035780
  N      -2.472819      0.201705      5.130901
  Mo     -3.574995      1.842617      5.366813
  N      -5.013870      1.734986      6.709071
  C      -4.628480      1.862479      8.117975
  C      -3.207849      1.349429      8.307080
  N      -2.331604      1.892464      7.236525
  C      -1.138073      1.043615      6.991390
  C      -1.526847     -0.175290      6.177872
  C      -1.936807      3.304144      7.479934
  C      -1.704877      3.966641      6.125888
  N      -2.865856      3.723311      5.264882
  H      -0.607279     -0.618011      5.749592
  H      -1.968112     -0.960774      6.826980
  H      -0.427239      1.652196      6.416564
  H      -0.655369      0.761343      7.944467
  H      -1.533067      5.046891      6.272081
  H      -0.787975      3.568112      5.657651
  H      -2.771725      3.805779      7.988540
  H      -1.050663      3.351427      8.139715
  H      -5.305766      1.272328      8.764430
  H      -4.707570      2.911850      8.466858
  H      -3.205337      0.255349      8.201920
  H      -2.809592      1.602439      9.306328
  C      -2.733063     -0.919245      4.224959
  C      -1.734450     -0.970809      3.055188
  C      -2.091420     -0.007063      1.938747
  O      -3.234509     -0.602250      1.269853
  C      -3.988053      0.009810      0.338056
  C      -5.088862     -0.721952     -0.099291
  C      -5.950841     -0.191278     -1.067326
  N      -5.810791      0.999207     -1.637721
  C      -4.737487      1.733256     -1.232010
  C      -4.542234      3.012934     -1.808213
  C      -3.464573      3.776958     -1.427899
  C      -2.575491      3.257250     -0.460814
  N      -2.713256      2.073098      0.111292
  C      -3.776744      1.302347     -0.250353
  C      -3.659709      4.937199      5.065624
  C      -4.764467      4.829318      4.018424
  C      -4.217428      4.879110      2.599442
  O      -5.227786      4.621614      1.604501
  C      -6.181463      5.540312      1.386195
  C      -6.240946      6.811657      1.944304
  C      -7.332436      7.649943      1.635262
  N      -8.337865      7.338879      0.832592
  C      -8.275947      6.106847      0.242231
  C      -9.298644      5.721037     -0.659536
  C      -9.217945      4.499403     -1.289120
  C      -8.115740      3.656809     -1.010220
  N      -7.154832      3.962023     -0.155120
  C      -7.222297      5.165770      0.468698
  C      -6.455496      1.795433      6.494446
  C      -7.008820      3.225766      6.651159
  C      -8.411475      3.424753      6.101925
  O      -8.416615      2.919007      4.754070
  C      -9.453163      3.184737      3.941532
  C     -10.452200      4.121483      4.160377
  C     -11.440972      4.310043      3.168562
  N     -11.524093      3.644298      2.027723
  C     -10.564556      2.693195      1.812698
  C     -10.607297      1.916586      0.629497
  C      -9.642639      0.955967      0.416225
  C      -8.635226      0.769783      1.390038
  N      -8.562391      1.462044      2.514986
  C      -9.501850      2.417024      2.727990
  H      -2.691054     -1.869380      4.790525
  H      -3.750712     -0.842639      3.818078
  H      -0.725004     -0.726342      3.422844
  H      -1.686437     -1.990480      2.639156
  H      -1.273767      0.114370      1.215139
  H      -2.358730      0.984234      2.325804
  H      -5.275671     -1.705023      0.333725
  H      -6.813353     -0.784311     -1.390206
  H      -5.271752      3.357172     -2.541888
  H      -3.293252      4.768125     -1.850186
  H      -1.708447      3.846914     -0.145728
  H      -2.981925      5.766423      4.776553
  H      -4.120886      5.251872      6.025349
  H      -5.471491      5.654231      4.185121
  H      -5.332813      3.898285      4.148058
  H      -3.483742      4.078989      2.442288
  H      -3.727510      5.846644      2.391059
  H      -5.469616      7.176278      2.620004
  H      -7.371425      8.643613      2.094913
  H     -10.121296      6.416119     -0.834848
  H      -9.987186      4.172560     -1.990458
  H      -8.016568      2.690592     -1.514078
  H      -6.980694      1.118234      7.198467
  H      -6.668515      1.445445      5.477484
  H      -6.326780      3.910847      6.125238
  H      -7.016403      3.533106      7.709228
  H      -8.670669      4.495524      6.112056
  H      -9.172901      2.874560      6.681762
  H     -10.486241      4.726981      5.064472
  H     -12.210759      5.069672      3.341111
  H     -11.407425      2.111267     -0.086470
  H      -9.639813      0.348604     -0.490211
  H      -7.852586      0.021676      1.232680
  N      -4.660022      1.617385      3.754227
  N      -5.272234      1.421562      2.804294
100
Coordinates from ORCA-job orca E -6483.715351542871
  N      -2.468050      0.205784      5.134039
  Mo     -3.582679      1.836747      5.379525
  N      -5.018405      1.715233      6.724460
  C      -4.631433      1.839272      8.133245
  C      -3.205594      1.338771      8.317286
  N      -2.336591      1.892784      7.246199
  C      -1.136558      1.054137      6.995746
  C      -1.517392     -0.165562      6.179006
  C      -1.955418      3.307671      7.492269
  C      -1.726873      3.973411      6.139947
  N      -2.884314      3.722575      5.275673
  H      -0.594470     -0.599786      5.749028
  H      -1.951091     -0.956865      6.826302
  H      -0.431596      1.670362      6.421757
  H      -0.649312      0.772499      7.946728
  H      -1.563191      5.054690      6.288095
  H      -0.805470      3.582757      5.673789
  H      -2.796564      3.800169      7.999551
  H      -1.071050      3.362302      8.153982
  H      -5.302030      1.238763      8.777322
  H      -4.720626      2.885801      8.488331
  H      -3.193414      0.245079      8.208964
  H      -2.807300      1.592587      9.316274
  C      -2.718170     -0.913643      4.222729
  C      -1.717981     -0.950110      3.053467
  C      -2.084970      0.013060      1.939085
  O      -3.217677     -0.593697      1.261903
  C      -3.962601      0.007436      0.316297
  C      -5.044903     -0.739517     -0.141603
  C      -5.890895     -0.223675     -1.131706
  N      -5.751593      0.965596     -1.705166
  C      -4.697096      1.714856     -1.278317
  C      -4.503819      2.994242     -1.855914
  C      -3.446243      3.774214     -1.451784
  C      -2.574827      3.270357     -0.460515
  N      -2.710831      2.086273      0.112435
  C      -3.754836      1.300449     -0.272127
  C      -3.676137      4.935100      5.062347
  C      -4.777405      4.821010      4.012483
  C      -4.226085      4.850933      2.594103
  O      -5.239439      4.597134      1.600781
  C      -6.173372      5.531754      1.364552
  C      -6.209655      6.812645      1.902894
  C      -7.284271      7.666829      1.577852
  N      -8.292826      7.363128      0.776281
  C      -8.252509      6.121330      0.204603
  C      -9.279167      5.742255     -0.695498
  C      -9.219853      4.510154     -1.306457
  C      -8.135645      3.650881     -1.009817
  N      -7.171866      3.948668     -0.154703
  C      -7.218439      5.163807      0.449202
  C      -6.459834      1.778250      6.511197
  C      -7.009352      3.209792      6.672944
  C      -8.412648      3.416876      6.128152
  O      -8.426427      2.919411      4.777294
  C      -9.471416      3.188476      3.976207
  C     -10.468354      4.123451      4.211083
  C     -11.467677      4.317406      3.230736
  N     -11.561800      3.659503      2.086382
  C     -10.603953      2.710322      1.855293
  C     -10.658529      1.941491      0.667668
  C      -9.697169      0.980966      0.439685
  C      -8.680729      0.787295      1.402849
  N      -8.596563      1.472772      2.531145
  C      -9.532805      2.427663      2.758744
  H      -2.667589     -1.865407      4.784721
  H      -3.736169     -0.844786      3.815057
  H      -0.712214     -0.693783      3.423078
  H      -1.656373     -1.967674      2.634280
  H      -1.266607      0.147022      1.218667
  H      -2.365819      0.999908      2.328218
  H      -5.229158     -1.723212      0.291099
  H      -6.738627     -0.828754     -1.471066
  H      -5.218922      3.325621     -2.609526
  H      -3.277785      4.766124     -1.873519
  H      -1.724147      3.873422     -0.125981
  H      -2.996368      5.761152      4.768579
  H      -4.139946      5.259525      6.017634
  H      -5.478491      5.653535      4.166182
  H      -5.353348      3.896060      4.151060
  H      -3.501321      4.041082      2.444605
  H      -3.724523      5.810730      2.378434
  H      -5.434015      7.173252      2.575689
  H      -7.306127      8.667673      2.022944
  H     -10.087040      6.451339     -0.883383
  H      -9.992405      4.186385     -2.005615
  H      -8.053967      2.674665     -1.497421
  H      -6.985488      1.099995      7.214009
  H      -6.674048      1.431420      5.493574
  H      -6.325396      3.894368      6.148474
  H      -7.013661      3.512165      7.732415
  H      -8.667145      4.488965      6.143738
  H      -9.175133      2.868960      6.708887
  H     -10.492944      4.724441      5.118582
  H     -12.236553      5.074723      3.417155
  H     -11.463644      2.143455     -0.040802
  H      -9.702770      0.380251     -0.471178
  H      -7.899522      0.040087      1.232753
  N      -4.673988      1.605781      3.772093
  N      -5.294482      1.397626      2.830256
100
Coordinates from ORCA-job orca E -6483.715355670332
  N      -2.467470      0.200041      5.137293
  Mo     -3.588341      1.826206      5.385335
  N      -5.018416      1.702605      6.736122
  C      -4.627386      1.828946      8.143278
  C      -3.197822      1.336987      8.321880
  N      -2.335918      1.893800      7.246030
  C      -1.132402      1.060184      6.992643
  C      -1.510626     -0.163692      6.179558
  C      -1.963740      3.312090      7.486910
  C      -1.738759      3.973978      6.132155
  N      -2.894812      3.713037      5.267906
  H      -0.586983     -0.594563      5.747641
  H      -1.937739     -0.955992      6.830232
  H      -0.432395      1.678384      6.414573
  H      -0.640024      0.783201      7.942338
  H      -1.581179      5.056707      6.276086
  H      -0.814444      3.587063      5.668492
  H      -2.808969      3.800609      7.991303
  H      -1.080438      3.374839      8.149428
  H      -5.291949      1.223326      8.789051
  H      -4.722497      2.874477      8.499820
  H      -3.179802      0.243203      8.215789
  H      -2.796741      1.595110      9.318673
  C      -2.715626     -0.919439      4.225615
  C      -1.721483     -0.947506      3.051109
  C      -2.089470      0.031811      1.950703
  O      -3.237119     -0.550651      1.276668
  C      -3.971502      0.070696      0.336072
  C      -5.073142     -0.648229     -0.121093
  C      -5.909132     -0.108906     -1.107324
  N      -5.740095      1.076898     -1.680821
  C      -4.665761      1.798421     -1.255397
  C      -4.438588      3.071770     -1.834241
  C      -3.362697      3.825547     -1.428213
  C      -2.506837      3.301244     -0.434115
  N      -2.672736      2.120497      0.138029
  C      -3.734931      1.360513     -0.248587
  C      -3.680932      4.924729      5.029730
  C      -4.783356      4.794191      3.983136
  C      -4.232080      4.773786      2.564507
  O      -5.254982      4.515618      1.582066
  C      -6.169469      5.464255      1.325939
  C      -6.180991      6.756305      1.838125
  C      -7.239475      7.624046      1.495265
  N      -8.254678      7.322893      0.700819
  C      -8.238759      6.068411      0.155819
  C      -9.273471      5.688936     -0.734959
  C      -9.237097      4.443108     -1.319942
  C      -8.169211      3.570396     -1.005230
  N      -7.198733      3.868680     -0.157288
  C      -7.222490      5.097460      0.419384
  C      -6.459707      1.766083      6.524614
  C      -7.008230      3.198073      6.685702
  C      -8.413471      3.406341      6.146524
  O      -8.433822      2.919916      4.791437
  C      -9.488453      3.188387      4.002376
  C     -10.495362      4.105748      4.262819
  C     -11.507233      4.302894      3.296165
  N     -11.604389      3.663462      2.141916
  C     -10.636323      2.731612      1.884562
  C     -10.694309      1.981878      0.684941
  C      -9.721893      1.039790      0.429359
  C      -8.691327      0.844215      1.377376
  N      -8.604625      1.510415      2.516996
  C      -9.551923      2.447653      2.772189
  H      -2.657986     -1.871991      4.785628
  H      -3.735967     -0.854701      3.822853
  H      -0.712675     -0.699082      3.417965
  H      -1.665939     -1.960476      2.620267
  H      -1.276974      0.164360      1.223424
  H      -2.353768      1.017554      2.353897
  H      -5.280486     -1.628322      0.309496
  H      -6.772931     -0.691862     -1.444992
  H      -5.143577      3.420451     -2.589652
  H      -3.168963      4.813024     -1.849588
  H      -1.644048      3.885031     -0.095360
  H      -2.997330      5.741237      4.718736
  H      -4.142900      5.271334      5.978186
  H      -5.472717      5.641423      4.109909
  H      -5.372539      3.882356      4.148931
  H      -3.524502      3.945151      2.434809
  H      -3.710796      5.716667      2.323494
  H      -5.399351      7.115675      2.504842
  H      -7.242010      8.634168      1.919592
  H     -10.067926      6.409190     -0.937411
  H     -10.014431      4.119459     -2.013832
  H      -8.105270      2.582673     -1.472277
  H      -6.985210      1.088814      7.228672
  H      -6.674931      1.418004      5.507791
  H      -6.325393      3.882114      6.158666
  H      -7.008595      3.499841      7.745334
  H      -8.669316      4.478019      6.171494
  H      -9.173237      2.853786      6.726585
  H     -10.519196      4.690491      5.180970
  H     -12.284945      5.045539      3.504229
  H     -11.511369      2.183275     -0.009967
  H      -9.730253      0.453821     -0.491097
  H      -7.901747      0.110750      1.185513
  N      -4.690309      1.582066      3.787822
  N      -5.323170      1.358105      2.857780
100
Coordinates from ORCA-job orca E -6483.715503766032
  N      -2.462714      0.212503      5.141668
  Mo     -3.582808      1.838858      5.389850
  N      -5.017767      1.712169      6.736076
  C      -4.631959      1.834486      8.144653
  C      -3.205259      1.337005      8.325513
  N      -2.338455      1.896937      7.256053
  C      -1.133631      1.064734      7.004390
  C      -1.506498     -0.155596      6.183176
  C      -1.964264      3.313443      7.505020
  C      -1.734989      3.983272      6.153695
  N      -2.887372      3.722962      5.284477
  H      -0.581504     -0.580464      5.748344
  H      -1.931604     -0.953025      6.828693
  H      -0.430519      1.685529      6.432920
  H      -0.646528      0.783853      7.955685
  H      -1.582366      5.065711      6.304086
  H      -0.807711      3.602040      5.691114
  H      -2.809073      3.801343      8.010780
  H      -1.082043      3.371036      8.169371
  H      -5.300148      1.229878      8.787469
  H      -4.724334      2.879551      8.503184
  H      -3.189432      0.243796      8.213021
  H      -2.806523      1.588049      9.325172
  C      -2.710991     -0.904275      4.227467
  C      -1.720282     -0.927563      3.050456
  C      -2.095176      0.044493      1.946751
  O      -3.238730     -0.551953      1.278868
  C      -3.989512      0.057816      0.342994
  C      -5.091770     -0.672935     -0.092639
  C      -5.946164     -0.149027     -1.070958
  N      -5.795376      1.032808     -1.657432
  C      -4.721512      1.766708     -1.253123
  C      -4.512675      3.036329     -1.847372
  C      -3.435899      3.801670     -1.466542
  C      -2.560113      3.292949     -0.481752
  N      -2.708519      2.117067      0.104627
  C      -3.772213      1.345231     -0.256035
  C      -3.670169      4.935683      5.038515
  C      -4.767626      4.804248      3.986150
  C      -4.210714      4.774979      2.570081
  O      -5.233508      4.544039      1.581007
  C      -6.130990      5.510296      1.330282
  C      -6.116580      6.800813      1.845640
  C      -7.157212      7.690435      1.504976
  N      -8.181004      7.410660      0.713385
  C      -8.193786      6.155984      0.168924
  C      -9.242802      5.794541     -0.713045
  C      -9.235032      4.546706     -1.296088
  C      -8.179102      3.655084     -0.992207
  N      -7.197090      3.938141     -0.153580
  C      -7.194010      5.165513      0.426058
  C      -6.459887      1.766418      6.521720
  C      -7.020406      3.194698      6.669205
  C      -8.429045      3.381060      6.131172
  O      -8.443479      2.877229      4.781881
  C      -9.491717      3.137264      3.982424
  C     -10.501848      4.055985      4.226662
  C     -11.504103      4.246591      3.249098
  N     -11.591511      3.597678      2.099293
  C     -10.622710      2.661930      1.859265
  C     -10.673910      1.897954      0.667809
  C      -9.702198      0.950374      0.430525
  C      -8.677783      0.765732      1.387116
  N      -8.596747      1.445560      2.518830
  C      -9.544772      2.386104      2.757747
  H      -2.647198     -1.858262      4.784646
  H      -3.733369     -0.843104      3.829548
  H      -0.712054     -0.673001      3.415304
  H      -1.659571     -1.941756      2.622651
  H      -1.284202      0.180839      1.218488
  H      -2.367582      1.029226      2.347012
  H      -5.284628     -1.651378      0.348443
  H      -6.809535     -0.742194     -1.391801
  H      -5.232704      3.372735     -2.594145
  H      -3.255202      4.785622     -1.901903
  H      -1.696842      3.886593     -0.161473
  H      -2.983550      5.750208      4.729375
  H      -4.136416      5.283669      5.984325
  H      -5.453931      5.654894      4.105165
  H      -5.361808      3.896095      4.154096
  H      -3.522038      3.930557      2.441313
  H      -3.666177      5.706365      2.334345
  H      -5.326287      7.142468      2.511742
  H      -7.136894      8.700541      1.928888
  H     -10.026287      6.527986     -0.911030
  H     -10.025223      4.237742     -1.982084
  H      -8.134520      2.668145     -1.463460
  H      -6.982886      1.090951      7.229069
  H      -6.671929      1.409169      5.507125
  H      -6.346856      3.879344      6.131806
  H      -7.021042      3.511008      7.724743
  H      -8.697366      4.449523      6.146522
  H      -9.180504      2.822480      6.716095
  H     -10.534379      4.646729      5.140662
  H     -12.283214      4.991790      3.443144
  H     -11.486927      2.091093     -0.034121
  H      -9.706738      0.351667     -0.481777
  H      -7.889597      0.027341      1.210364
  N      -4.686754      1.596678      3.794822
  N      -5.325135      1.379595      2.867529
100
Coordinates from ORCA-job orca E -6483.715480413726
  N      -2.426176      0.235978      5.143417
  Mo     -3.576354      1.840183      5.400535
  N      -5.016907      1.673343      6.737146
  C      -4.640250      1.779527      8.149787
  C      -3.204679      1.307470      8.331334
  N      -2.344214      1.899717      7.274279
  C      -1.120841      1.097167      7.018477
  C      -1.464821     -0.121278      6.183399
  C      -2.001922      3.320168      7.543286
  C      -1.773594      4.009659      6.202680
  N      -2.912026      3.736880      5.319349
  H      -0.529675     -0.522150      5.747498
  H      -1.874398     -0.933924      6.819836
  H      -0.429149      1.739413      6.456998
  H      -0.631493      0.815444      7.968339
  H      -1.643910      5.093057      6.367151
  H      -0.834365      3.652337      5.745112
  H      -2.861859      3.784252      8.045780
  H      -1.127368      3.388262      8.216705
  H      -5.300154      1.151894      8.778910
  H      -4.754814      2.816649      8.524882
  H      -3.166756      0.216452      8.203597
  H      -2.815989      1.552520      9.336390
  C      -2.652527     -0.882959      4.225975
  C      -1.666594     -0.880231      3.044423
  C      -2.081858      0.070221      1.936737
  O      -3.202271     -0.578418      1.278776
  C      -3.978090     -0.013689      0.335503
  C      -5.041871     -0.801140     -0.096734
  C      -5.915548     -0.329175     -1.084359
  N      -5.821561      0.854096     -1.678989
  C      -4.788693      1.644546     -1.275047
  C      -4.644565      2.920430     -1.874585
  C      -3.608793      3.741317     -1.495829
  C      -2.710305      3.282910     -0.506611
  N      -2.800757      2.104729      0.086950
  C      -3.821724      1.277527     -0.273379
  C      -3.705047      4.941200      5.066876
  C      -4.785526      4.802975      3.998928
  C      -4.208751      4.780819      2.590633
  O      -5.219006      4.555079      1.587539
  C      -6.101759      5.530245      1.320614
  C      -6.075945      6.823671      1.828243
  C      -7.102398      7.723865      1.473278
  N      -8.121915      7.452149      0.673918
  C      -8.144481      6.195079      0.135550
  C      -9.190013      5.842646     -0.753913
  C      -9.192151      4.592904     -1.332095
  C      -8.148798      3.691009     -1.016139
  N      -7.171651      3.964079     -0.168173
  C      -7.159686      5.193696      0.407164
  C      -6.458120      1.725110      6.516469
  C      -7.022823      3.148760      6.691566
  C      -8.430808      3.344617      6.156171
  O      -8.443071      2.871517      4.796355
  C      -9.490369      3.151914      4.002303
  C     -10.500283      4.065301      4.266723
  C     -11.498816      4.282288      3.290585
  N     -11.581101      3.665282      2.122844
  C     -10.612491      2.734660      1.862721
  C     -10.656303      2.005631      0.649438
  C      -9.685765      1.061641      0.393092
  C      -8.669100      0.847079      1.351568
  N      -8.593291      1.496493      2.501296
  C      -9.540240      2.432606      2.759202
  H      -2.563561     -1.836244      4.780796
  H      -3.677453     -0.845273      3.832009
  H      -0.665742     -0.589401      3.402117
  H      -1.574255     -1.894143      2.621850
  H      -1.279666      0.233567      1.204433
  H      -2.392620      1.045920      2.331931
  H      -5.188747     -1.783606      0.352825
  H      -6.747123     -0.966895     -1.403510
  H      -5.379063      3.215665     -2.624771
  H      -3.476854      4.730498     -1.936721
  H      -1.877601      3.920042     -0.190213
  H      -3.023389      5.764688      4.770293
  H      -4.188125      5.280778      6.007196
  H      -5.478343      5.649432      4.109074
  H      -5.376657      3.890754      4.156523
  H      -3.518349      3.937917      2.466749
  H      -3.661439      5.713411      2.366814
  H      -5.288101      7.160004      2.499769
  H      -7.073882      8.735963      1.891803
  H      -9.962246      6.585204     -0.961770
  H      -9.979732      4.290049     -2.023884
  H      -8.111334      2.702806     -1.483965
  H      -6.981305      1.034351      7.208668
  H      -6.664897      1.387420      5.493954
  H      -6.349033      3.845530      6.169854
  H      -7.026056      3.442741      7.753522
  H      -8.699885      4.412482      6.193176
  H      -9.182771      2.774471      6.729198
  H     -10.535571      4.632361      5.195344
  H     -12.277134      5.023763      3.500808
  H     -11.463257      2.221190     -0.052948
  H      -9.685292      0.488663     -0.535579
  H      -7.881414      0.112138      1.159893
  N      -4.668006      1.595250      3.796488
  N      -5.300039      1.373446      2.865796
100
Coordinates from ORCA-job orca E -6483.715677924333
  N      -2.434191      0.227116      5.143347
  Mo     -3.586631      1.829873      5.401344
  N      -5.019723      1.664607      6.746313
  C      -4.636254      1.775394      8.156577
  C      -3.197745      1.309045      8.331858
  N      -2.344845      1.900309      7.267742
  C      -1.120972      1.099375      7.008487
  C      -1.466692     -0.123329      6.179661
  C      -2.007225      3.323011      7.529700
  C      -1.784773      4.007431      6.186344
  N      -2.924563      3.726918      5.306871
  H      -0.532594     -0.523942      5.741246
  H      -1.871119     -0.934613      6.821206
  H      -0.433588      1.740910      6.440896
  H      -0.625892      0.822161      7.956640
  H      -1.658758      5.091944      6.346101
  H      -0.845027      3.651965      5.728364
  H      -2.868602      3.785509      8.031102
  H      -1.131956      3.397416      8.201513
  H      -5.290501      1.145797      8.789770
  H      -4.753480      2.812551      8.530839
  H      -3.156957      0.217723      8.208146
  H      -2.804342      1.559426      9.333729
  C      -2.661675     -0.893100      4.227720
  C      -1.679104     -0.890440      3.043159
  C      -2.085357      0.076722      1.946256
  O      -3.221857     -0.541992      1.286870
  C      -3.977818      0.047664      0.343218
  C      -5.062749     -0.705818     -0.097437
  C      -5.916678     -0.203725     -1.087661
  N      -5.782810      0.978024     -1.678134
  C      -4.727587      1.734481     -1.266795
  C      -4.538543      3.005764     -1.863435
  C      -3.480702      3.793299     -1.474859
  C      -2.606277      3.306513     -0.477829
  N      -2.737496      2.130380      0.112219
  C      -3.779399      1.335477     -0.259621
  C      -3.712657      4.931049      5.039373
  C      -4.795302      4.783106      3.975633
  C      -4.219602      4.733400      2.567181
  O      -5.235112      4.507352      1.569077
  C      -6.097926      5.494837      1.282512
  C      -6.045422      6.797975      1.762891
  C      -7.055922      7.710164      1.392559
  N      -8.082812      7.441789      0.601718
  C      -8.129523      6.175209      0.087647
  C      -9.182834      5.825517     -0.793390
  C      -9.207437      4.566448     -1.350149
  C      -8.179262      3.652780     -1.020466
  N      -7.196671      3.922042     -0.176855
  C      -7.162852      5.161326      0.376232
  C      -6.461240      1.718313      6.531001
  C      -7.020694      3.144950      6.699493
  C      -8.432341      3.341655      6.174358
  O      -8.458943      2.861115      4.817513
  C      -9.516033      3.136368      4.034214
  C     -10.525635      4.047293      4.307857
  C     -11.536879      4.257426      3.343397
  N     -11.631223      3.636265      2.178882
  C     -10.662745      2.708152      1.909918
  C     -10.718611      1.975300      0.699569
  C      -9.748180      1.033630      0.434672
  C      -8.719361      0.824992      1.381598
  N      -8.632144      1.478278      2.528328
  C      -9.578935      2.412338      2.794534
  H      -2.571697     -1.846147      4.782658
  H      -3.687651     -0.855139      3.836265
  H      -0.674255     -0.613303      3.400265
  H      -1.598931     -1.901242      2.611063
  H      -1.284528      0.232896      1.210978
  H      -2.375743      1.054234      2.352390
  H      -5.241917     -1.684848      0.347837
  H      -6.766268     -0.814179     -1.412388
  H      -5.256990      3.324745     -2.619341
  H      -3.314573      4.778686     -1.912528
  H      -1.758137      3.917901     -0.152195
  H      -3.028434      5.747864      4.730458
  H      -4.192772      5.285221      5.975842
  H      -5.480754      5.637296      4.071232
  H      -5.394341      3.878861      4.148922
  H      -3.540320      3.880152      2.453921
  H      -3.660165      5.655248      2.330290
  H      -5.250019      7.133188      2.425803
  H      -7.007217      8.729675      1.790634
  H      -9.942113      6.578014     -1.012764
  H     -10.000976      4.265133     -2.035779
  H      -8.159196      2.656570     -1.471694
  H      -6.983598      1.033344      7.229748
  H      -6.672872      1.374768      5.511571
  H      -6.348444      3.835673      6.167453
  H      -7.014620      3.445612      7.759482
  H      -8.698282      4.410535      6.207596
  H      -9.181035      2.777783      6.757911
  H     -10.551419      4.617609      5.234751
  H     -12.315224      4.996629      3.561050
  H     -11.534103      2.186653      0.005814
  H      -9.756867      0.457766     -0.492141
  H      -7.930652      0.093077      1.182118
  N      -4.689556      1.576034      3.806189
  N      -5.331066      1.345214      2.883822
100
Coordinates from ORCA-job orca E -6483.715795031309
  N      -2.429454      0.232118      5.149265
  Mo     -3.586547      1.830604      5.410965
  N      -5.018610      1.661504      6.756830
  C      -4.635160      1.770521      8.166926
  C      -3.195507      1.307414      8.339118
  N      -2.345226      1.903522      7.275744
  C      -1.117911      1.107883      7.014759
  C      -1.457717     -0.115426      6.183051
  C      -2.013722      3.327633      7.538918
  C      -1.791076      4.014159      6.196084
  N      -2.926811      3.726955      5.312692
  H      -0.522024     -0.508681      5.741284
  H      -1.855145     -0.931274      6.823265
  H      -0.432777      1.752941      6.448313
  H      -0.621763      0.831429      7.962653
  H      -1.672833      5.099318      6.356945
  H      -0.847298      3.665239      5.741097
  H      -2.878156      3.786308      8.038751
  H      -1.140175      3.405280      8.212669
  H      -5.286920      1.137493      8.799302
  H      -4.754942      2.806353      8.544131
  H      -3.151619      0.216635      8.211863
  H      -2.801410      1.555806      9.341267
  C      -2.656319     -0.886735      4.231947
  C      -1.679305     -0.877178      3.043194
  C      -2.089822      0.093623      1.951027
  O      -3.230507     -0.520570      1.294093
  C      -3.986619      0.071688      0.351594
  C      -5.077525     -0.676919     -0.082608
  C      -5.932464     -0.173849     -1.071392
  N      -5.792946      1.003826     -1.669078
  C      -4.731692      1.755713     -1.264976
  C      -4.535489      3.022041     -1.870433
  C      -3.472196      3.805774     -1.489093
  C      -2.598497      3.319773     -0.491086
  N      -2.735425      2.147926      0.105997
  C      -3.783924      1.356919     -0.257055
  C      -3.709454      4.930243      5.024931
  C      -4.789524      4.771542      3.959965
  C      -4.212203      4.687463      2.553819
  O      -5.232436      4.470551      1.558587
  C      -6.077646      5.470570      1.263513
  C      -6.005607      6.775330      1.736634
  C      -6.996856      7.703098      1.353073
  N      -8.023927      7.447800      0.557742
  C      -8.092694      6.177555      0.055078
  C      -9.150321      5.838003     -0.825068
  C      -9.198508      4.572629     -1.366830
  C      -8.188951      3.642905     -1.024338
  N      -7.202531      3.904373     -0.183088
  C      -7.145751      5.148620      0.356560
  C      -6.460429      1.711700      6.540751
  C      -7.024861      3.136796      6.702999
  C      -8.440190      3.324083      6.184083
  O      -8.470353      2.847624      4.825253
  C      -9.535436      3.116324      4.050641
  C     -10.557610      4.007143      4.343883
  C     -11.580007      4.213566      3.390694
  N     -11.674111      3.606327      2.218935
  C     -10.691887      2.699168      1.928887
  C     -10.746532      1.981533      0.709099
  C      -9.761577      1.061827      0.421680
  C      -8.719742      0.859288      1.355742
  N      -8.634340      1.496684      2.511460
  C      -9.595462      2.409247      2.800413
  H      -2.559040     -1.840813      4.784030
  H      -3.684694     -0.853101      3.846096
  H      -0.673391     -0.600189      3.397959
  H      -1.599068     -1.886490      2.607315
  H      -1.292071      0.252012      1.213050
  H      -2.377246      1.069622      2.362460
  H      -5.260433     -1.653534      0.366648
  H      -6.786228     -0.781331     -1.391084
  H      -5.254095      3.340874     -2.626284
  H      -3.301186      4.787560     -1.933136
  H      -1.747534      3.929561     -0.168434
  H      -3.021108      5.740060      4.706994
  H      -4.191161      5.298532      5.955219
  H      -5.466235      5.635077      4.034975
  H      -5.398990      3.878023      4.150183
  H      -3.552078      3.817425      2.452558
  H      -3.631558      5.592935      2.304858
  H      -5.209129      7.100038      2.403760
  H      -6.931298      8.724680      1.743594
  H      -9.894947      6.601966     -1.055206
  H      -9.996246      4.279253     -2.051001
  H      -8.186319      2.641465     -1.465268
  H      -6.981596      1.028019      7.241597
  H      -6.671042      1.363387      5.522731
  H      -6.358534      3.827805      6.164055
  H      -7.015225      3.443900      7.761206
  H      -8.713717      4.390825      6.222445
  H      -9.181849      2.752122      6.768712
  H     -10.585675      4.563551      5.279213
  H     -12.369643      4.935660      3.625197
  H     -11.573207      2.186466      0.026636
  H      -9.769165      0.498070     -0.512618
  H      -7.920211      0.143915      1.139071
  N      -4.694187      1.570771      3.821465
  N      -5.342933      1.334564      2.905877
100
Coordinates from ORCA-job orca E -6483.715935138945
  N      -2.421004      0.237464      5.152362
  Mo     -3.590372      1.827092      5.417670
  N      -5.018202      1.645923      6.766421
  C      -4.632461      1.752325      8.175928
  C      -3.188123      1.300716      8.342622
  N      -2.345814      1.907522      7.278829
  C      -1.111568      1.124529      7.013803
  C      -1.441816     -0.101157      6.181655
  C      -2.029053      3.334367      7.544281
  C      -1.811497      4.024986      6.203215
  N      -2.942920      3.726926      5.317436
  H      -0.503705     -0.484339      5.736167
  H      -1.828114     -0.921879      6.822526
  H      -0.434021      1.776575      6.446198
  H      -0.610374      0.851517      7.960016
  H      -1.705914      5.111116      6.365985
  H      -0.862904      3.687514      5.749455
  H      -2.899652      3.783280      8.042309
  H      -1.157909      3.420189      8.220137
  H      -5.277060      1.110613      8.806933
  H      -4.760347      2.785278      8.558489
  H      -3.135349      0.210840      8.211442
  H      -2.793315      1.549407      9.344409
  C      -2.642646     -0.884007      4.237117
  C      -1.670392     -0.869900      3.044471
  C      -2.086831      0.100701      1.954676
  O      -3.230153     -0.513829      1.302909
  C      -3.985100      0.075264      0.357580
  C      -5.076223     -0.674381     -0.074362
  C      -5.930444     -0.174957     -1.065551
  N      -5.790072      1.000275     -1.667843
  C      -4.729175      1.753544     -1.265608
  C      -4.532558      3.017527     -1.875816
  C      -3.469928      3.803065     -1.496402
  C      -2.597791      3.321553     -0.494897
  N      -2.735248      2.152161      0.106855
  C      -3.782343      1.358736     -0.255096
  C      -3.726328      4.926568      5.016752
  C      -4.802362      4.758846      3.949568
  C      -4.219430      4.660673      2.546338
  O      -5.237921      4.448648      1.548119
  C      -6.065186      5.459434      1.240011
  C      -5.976329      6.765537      1.706436
  C      -6.949087      7.707005      1.309359
  N      -7.973291      7.463957      0.506699
  C      -8.058753      6.191904      0.011187
  C      -9.115798      5.864067     -0.873905
  C      -9.182035      4.595763     -1.406994
  C      -8.190385      3.652106     -1.051916
  N      -7.205453      3.902407     -0.205205
  C      -7.131385      5.149114      0.326559
  C      -6.460154      1.694904      6.551508
  C      -7.025372      3.119349      6.715676
  C      -8.443419      3.304935      6.204464
  O      -8.479095      2.836223      4.843123
  C      -9.551488      3.104037      4.078067
  C     -10.581489      3.979250      4.390561
  C     -11.613702      4.186223      3.448265
  N     -11.709215      3.594297      2.268838
  C     -10.717751      2.704193      1.958347
  C     -10.771549      2.004963      0.727787
  C      -9.778031      1.101093      0.420357
  C      -8.727193      0.897401      1.344075
  N      -8.641464      1.518724      2.508434
  C      -9.611797      2.414556      2.818057
  H      -2.535741     -1.836481      4.790257
  H      -3.672938     -0.858911      3.855633
  H      -0.663867     -0.590261      3.395443
  H      -1.589340     -1.878690      2.607560
  H      -1.292710      0.260816      1.213295
  H      -2.373751      1.075781      2.368535
  H      -5.259832     -1.649174      0.378541
  H      -6.784152     -0.783517     -1.383318
  H      -5.250358      3.333097     -2.633800
  H      -3.298316      4.782938     -1.944412
  H      -1.747817      3.933130     -0.173123
  H      -3.038324      5.735075      4.694712
  H      -4.211431      5.300812      5.942933
  H      -5.477115      5.624988      4.012317
  H      -5.415677      3.869432      4.146266
  H      -3.566990      3.784396      2.451930
  H      -3.629175      5.559160      2.294905
  H      -5.181081      7.081016      2.379439
  H      -6.869951      8.729657      1.694511
  H      -9.846336      6.638472     -1.114088
  H      -9.980472      4.310922     -2.094002
  H      -8.201265      2.648228     -1.486823
  H      -6.980341      1.010185      7.252122
  H      -6.671473      1.347510      5.533256
  H      -6.362366      3.810954      6.173244
  H      -7.010973      3.426451      7.773828
  H      -8.719748      4.370730      6.250119
  H      -9.180526      2.727906      6.789960
  H     -10.608749      4.522347      5.333611
  H     -12.410312      4.895171      3.698724
  H     -11.604896      2.210333      0.053593
  H      -9.785529      0.550666     -0.521857
  H      -7.920277      0.195516      1.111409
  N      -4.699353      1.559680      3.830380
  N      -5.348481      1.319372      2.916010
100
Coordinates from ORCA-job orca E -6483.716073419783
  N      -2.413353      0.242384      5.155665
  Mo     -3.595308      1.822990      5.424756
  N      -5.017581      1.630034      6.777413
  C      -4.628321      1.734248      8.185966
  C      -3.178888      1.294765      8.346048
  N      -2.345724      1.912101      7.280884
  C      -1.104724      1.142210      7.011175
  C      -1.425934     -0.086360      6.179731
  C      -2.044390      3.341780      7.547806
  C      -1.832908      4.035770      6.208172
  N      -2.960421      3.726306      5.320790
  H      -0.485820     -0.459729      5.730145
  H      -1.800410     -0.911413      6.822158
  H      -0.435634      1.800970      6.441252
  H      -0.597482      0.873412      7.955337
  H      -1.740128      5.122841      6.372102
  H      -0.879862      3.709707      5.755250
  H      -2.921293      3.780614      8.043810
  H      -1.175739      3.436589      8.225652
  H      -5.264801      1.083620      8.816137
  H      -4.764429      2.764184      8.573958
  H      -3.117031      0.205860      8.211291
  H      -2.782581      1.544385      9.346999
  C      -2.630160     -0.882437      4.243562
  C      -1.663099     -0.865398      3.046668
  C      -2.084524      0.104895      1.958896
  O      -3.231325     -0.508838      1.312803
  C      -3.983885      0.077377      0.363939
  C      -5.075436     -0.672630     -0.066403
  C      -5.928163     -0.176334     -1.060373
  N      -5.785986      0.996432     -1.667037
  C      -4.725290      1.750492     -1.265976
  C      -4.527519      3.012194     -1.880486
  C      -3.465528      3.799114     -1.502199
  C      -2.595733      3.321607     -0.496799
  N      -2.734467      2.154596      0.109293
  C      -3.780079      1.359088     -0.252456
  C      -3.744922      4.922133      5.007951
  C      -4.817712      4.745750      3.939472
  C      -4.229805      4.635156      2.538816
  O      -5.246496      4.427162      1.537734
  C      -6.056005      5.448073      1.217154
  C      -5.951781      6.754529      1.679289
  C      -6.906092      7.709261      1.269577
  N      -7.926073      7.479016      0.458059
  C      -8.026635      6.206298     -0.032940
  C      -9.081677      5.891063     -0.924714
  C      -9.164734      4.621104     -1.451589
  C      -8.191157      3.663923     -1.084699
  N      -7.208951      3.902040     -0.230827
  C      -7.118818      5.150038      0.295419
  C      -6.459656      1.678234      6.563945
  C      -7.025072      3.102309      6.729516
  C      -8.445386      3.286742      6.225201
  O      -8.485944      2.825999      4.861337
  C      -9.565530      3.092489      4.105581
  C     -10.603441      3.951211      4.437297
  C     -11.645727      4.157787      3.506227
  N     -11.742681      3.581223      2.319355
  C     -10.741644      2.709602      1.988187
  C     -10.794315      2.029544      0.746772
  C      -9.791908      1.142784      0.419112
  C      -8.731780      0.938817      1.332155
  N      -8.645911      1.543586      2.505123
  C      -9.625894      2.421165      2.835799
  H      -2.513606     -1.832699      4.798650
  H      -3.662437     -0.866055      3.866853
  H      -0.655525     -0.584030      3.393241
  H      -1.582665     -1.874000      2.609251
  H      -1.294052      0.265492      1.213862
  H      -2.369751      1.079528      2.374801
  H      -5.260570     -1.645490      0.390012
  H      -6.781987     -0.785482     -1.376666
  H      -5.243968      3.324919     -2.640924
  H      -3.292711      4.777110     -1.953816
  H      -1.746767      3.934628     -0.175244
  H      -3.057639      5.729467      4.681399
  H      -4.232637      5.301957      5.930540
  H      -5.490774      5.614047      3.991021
  H      -5.434549      3.860256      4.142234
  H      -3.583737      3.753905      2.450367
  H      -3.631572      5.527683      2.285317
  H      -5.159039      7.060319      2.359680
  H      -6.814533      8.732104      1.651439
  H      -9.798307      6.675491     -1.174081
  H      -9.962942      4.345511     -2.142688
  H      -8.214664      2.658598     -1.515357
  H      -6.979099      0.992847      7.264531
  H      -6.671799      1.331624      5.545525
  H      -6.364756      3.794024      6.183772
  H      -7.006310      3.409526      7.787556
  H      -8.724047      4.351669      6.278226
  H      -9.178541      2.704957      6.811069
  H     -10.629711      4.480883      5.387866
  H     -12.449417      4.852768      3.772640
  H     -11.634402      2.234810      0.080929
  H      -9.799171      0.606072     -0.530980
  H      -7.917035      0.251740      1.083276
  N      -4.704772      1.547748      3.839112
  N      -5.352322      1.304049      2.924344
100
Coordinates from ORCA-job orca E -6483.716177388000
  N      -2.400901      0.247536      5.157646
  Mo     -3.599945      1.815713      5.429985
  N      -5.017610      1.606486      6.784987
  C      -4.626273      1.707311      8.192987
  C      -3.171345      1.282744      8.347223
  N      -2.347956      1.914410      7.282738
  C      -1.097714      1.161934      7.009073
  C      -1.405003     -0.069402      6.176557
  C      -2.066437      3.347107      7.553683
  C      -1.861751      4.047650      6.216906
  N      -2.982786      3.723761      5.326026
  H      -0.461571     -0.429037      5.722762
  H      -1.765173     -0.900669      6.819219
  H      -0.438486      1.829975      6.438453
  H      -0.584957      0.897902      7.951560
  H      -1.786782      5.135496      6.384254
  H      -0.902472      3.738042      5.765394
  H      -2.951298      3.772447      8.047324
  H      -1.201484      3.452307      8.234666
  H      -5.253917      1.046013      8.820924
  H      -4.772546      2.733365      8.587640
  H      -3.097882      0.195318      8.206945
  H      -2.775098      1.532426      9.348174
  C      -2.607954     -0.879865      4.246759
  C      -1.643297     -0.856198      3.048001
  C      -2.068215      0.115148      1.963058
  O      -3.215936     -0.498909      1.319511
  C      -3.966860      0.084105      0.367404
  C      -5.056958     -0.668200     -0.062592
  C      -5.909769     -0.175381     -1.058084
  N      -5.769474      0.996680     -1.666439
  C      -4.710901      1.753478     -1.265371
  C      -4.515971      3.014862     -1.881385
  C      -3.456129      3.804926     -1.503811
  C      -2.586546      3.331491     -0.496351
  N      -2.723215      2.165437      0.112009
  C      -3.765434      1.365703     -0.250451
  C      -3.770726      4.913678      4.999332
  C      -4.837912      4.724966      3.927913
  C      -4.242428      4.603013      2.531073
  O      -5.254861      4.397864      1.524824
  C      -6.047263      5.427253      1.189671
  C      -5.929387      6.734668      1.645686
  C      -6.865091      7.700895      1.220666
  N      -7.879542      7.481141      0.399599
  C      -7.993840      6.207089     -0.084851
  C      -9.045842      5.901875     -0.983440
  C      -9.144161      4.629657     -1.502443
  C      -8.187825      3.660989     -1.122163
  N      -7.209765      3.889445     -0.260734
  C      -7.105116      5.139021      0.258821
  C      -6.459838      1.655978      6.572761
  C      -7.022314      3.080771      6.741100
  C      -8.446234      3.267755      6.248997
  O      -8.498632      2.813974      4.883288
  C      -9.583848      3.090054      4.138787
  C     -10.618822      3.944620      4.490255
  C     -11.669766      4.162325      3.571783
  N     -11.777073      3.600989      2.378546
  C     -10.778231      2.735101      2.026810
  C     -10.840828      2.072569      0.776289
  C      -9.842208      1.189118      0.428986
  C      -8.774202      0.973104      1.329980
  N      -8.677680      1.563176      2.509515
  C      -9.654884      2.435706      2.860763
  H      -2.480269     -1.828214      4.802781
  H      -3.641331     -0.874658      3.872696
  H      -0.635870     -0.572618      3.393242
  H      -1.561189     -1.863735      2.608439
  H      -1.279854      0.278980      1.216639
  H      -2.354406      1.088031      2.382320
  H      -5.241051     -1.640407      0.395594
  H      -6.762188     -0.786718     -1.373849
  H      -5.232730      3.324561     -2.642750
  H      -3.284724      4.782200     -1.957492
  H      -1.739524      3.947082     -0.174975
  H      -3.085798      5.721564      4.669213
  H      -4.263726      5.297646      5.917411
  H      -5.511935      5.593238      3.966671
  H      -5.456018      3.841685      4.136270
  H      -3.601636      3.717710      2.449760
  H      -3.636667      5.490188      2.276845
  H      -5.140417      7.032531      2.333894
  H      -6.762121      8.724479      1.597534
  H      -9.749149      6.694739     -1.243750
  H      -9.941540      4.361502     -2.197468
  H      -8.222173      2.654066     -1.547889
  H      -6.979728      0.970459      7.272933
  H      -6.673719      1.311270      5.553941
  H      -6.365264      3.770970      6.189423
  H      -6.994742      3.388743      7.798730
  H      -8.723585      4.332631      6.309826
  H      -9.174861      2.683626      6.838263
  H     -10.635989      4.462370      5.447443
  H     -12.471311      4.853458      3.854111
  H     -11.686057      2.286966      0.119904
  H      -9.858285      0.663792     -0.527320
  H      -7.961874      0.289273      1.065553
  N      -4.708193      1.530613      3.845262
  N      -5.353230      1.283504      2.929591
100
Coordinates from ORCA-job orca E -6483.715326558101
  N      -2.411243      0.238692      5.153774
  Mo     -3.583406      1.820487      5.424059
  N      -5.024095      1.637226      6.764587
  C      -4.645191      1.731961      8.176964
  C      -3.207941      1.278988      8.347239
  N      -2.357828      1.892787      7.295690
  C      -1.116261      1.115925      7.032222
  C      -1.431695     -0.105142      6.185926
  C      -2.041286      3.319228      7.569887
  C      -1.818827      4.022186      6.230765
  N      -2.943786      3.721527      5.336881
  H      -0.488529     -0.471995      5.736607
  H      -1.811647     -0.937417      6.815420
  H      -0.438268      1.778133      6.477341
  H      -0.620070      0.839411      7.980786
  H      -1.722889      5.106812      6.409478
  H      -0.864231      3.699025      5.778528
  H      -2.909404      3.765247      8.074251
  H      -1.167571      3.401818      8.243087
  H      -5.294841      1.090258      8.802499
  H      -4.770838      2.762894      8.564600
  H      -3.154809      0.190213      8.204696
  H      -2.820427      1.515051      9.355022
  C      -2.628097     -0.874393      4.225644
  C      -1.636805     -0.839438      3.052782
  C      -2.058945      0.135251      1.965029
  O      -3.169227     -0.511285      1.285418
  C      -3.925693      0.048779      0.322021
  C      -4.968500     -0.748655     -0.140973
  C      -5.811637     -0.286327     -1.160011
  N      -5.706638      0.895898     -1.756035
  C      -4.689975      1.693071     -1.324529
  C      -4.526598      2.964650     -1.929920
  C      -3.502206      3.788254     -1.526121
  C      -2.630529      3.335516     -0.509446
  N      -2.738610      2.161437      0.088232
  C      -3.754715      1.335560     -0.290244
  C      -3.731834      4.913405      5.017542
  C      -4.807964      4.730593      3.946766
  C      -4.244764      4.601391      2.542442
  O      -5.278003      4.428171      1.548128
  C      -6.073280      5.460959      1.209666
  C      -5.964747      6.775751      1.652157
  C      -6.904398      7.731704      1.212942
  N      -7.913785      7.496693      0.387547
  C      -8.024117      6.216101     -0.076875
  C      -9.066630      5.897374     -0.983839
  C      -9.159305      4.615811     -1.480766
  C      -8.202027      3.653016     -1.070708
  N      -7.225642      3.903404     -0.221007
  C      -7.130505      5.159089      0.284031
  C      -6.469382      1.703938      6.567486
  C      -7.023934      3.132724      6.741177
  C      -8.452713      3.320738      6.258182
  O      -8.502479      2.877918      4.888761
  C      -9.600804      3.125435      4.159016
  C     -10.665884      3.936222      4.524209
  C     -11.729480      4.119750      3.610461
  N     -11.821246      3.565432      2.412262
  C     -10.789267      2.740266      2.050521
  C     -10.834529      2.075730      0.800650
  C      -9.799323      1.239371      0.443066
  C      -8.720528      1.062140      1.339716
  N      -8.644055      1.648741      2.522194
  C      -9.652959      2.480282      2.877253
  H      -2.529199     -1.834228      4.767879
  H      -3.650453     -0.844172      3.826113
  H      -0.640311     -0.553329      3.427907
  H      -1.532087     -1.842865      2.607446
  H      -1.253766      0.321390      1.240777
  H      -2.379308      1.101872      2.381020
  H      -5.122888     -1.730361      0.307605
  H      -6.627470     -0.930894     -1.505540
  H      -5.238160      3.253202     -2.704562
  H      -3.357331      4.773897     -1.971171
  H      -1.803351      3.973328     -0.177124
  H      -3.041111      5.718009      4.691052
  H      -4.221084      5.301801      5.934937
  H      -5.474436      5.602126      4.007298
  H      -5.423963      3.845115      4.160552
  H      -3.629348      3.694880      2.451850
  H      -3.619880      5.473007      2.278008
  H      -5.176602      7.087231      2.333107
  H      -6.812168      8.759443      1.581695
  H      -9.761031      6.690130     -1.268585
  H      -9.943925      4.334209     -2.183945
  H      -8.234565      2.634950     -1.476827
  H      -6.985499      1.024459      7.275680
  H      -6.697565      1.356752      5.552894
  H      -6.372639      3.823695      6.184463
  H      -6.986706      3.445298      7.797668
  H      -8.738010      4.383844      6.316199
  H      -9.176088      2.730270      6.846659
  H     -10.699337      4.447319      5.485645
  H     -12.560366      4.770061      3.906585
  H     -11.692458      2.256062      0.150931
  H      -9.796050      0.723509     -0.518449
  H      -7.879719      0.417917      1.064351
  N      -4.678632      1.544306      3.829161
  N      -5.333170      1.274422      2.931580
100
Coordinates from ORCA-job orca E -6483.715738765745
  N      -2.412282      0.244753      5.155527
  Mo     -3.595717      1.818446      5.435625
  N      -5.023706      1.623047      6.786369
  C      -4.634126      1.714638      8.195999
  C      -3.189772      1.274109      8.352413
  N      -2.354009      1.898495      7.294954
  C      -1.107837      1.134622      7.020558
  C      -1.420549     -0.089473      6.178039
  C      -2.052724      3.327850      7.569497
  C      -1.842158      4.033565      6.231390
  N      -2.967444      3.722923      5.340515
  H      -0.478158     -0.449373      5.721575
  H      -1.787654     -0.924334      6.811920
  H      -0.441431      1.802654      6.458632
  H      -0.600137      0.862569      7.964233
  H      -1.756831      5.119075      6.409930
  H      -0.885801      3.720254      5.775816
  H      -2.926180      3.763361      8.073926
  H      -1.179781      3.420159      8.242431
  H      -5.271829      1.062267      8.822913
  H      -4.767242      2.741885      8.591141
  H      -3.128315      0.186341      8.206359
  H      -2.795676      1.511699      9.357241
  C      -2.629712     -0.873571      4.233950
  C      -1.647294     -0.843187      3.052999
  C      -2.071779      0.129636      1.965000
  O      -3.190823     -0.511758      1.295321
  C      -3.938811      0.046303      0.324705
  C      -4.986425     -0.746302     -0.135997
  C      -5.823451     -0.284815     -1.160374
  N      -5.707783      0.892487     -1.764133
  C      -4.687047      1.685355     -1.334372
  C      -4.514085      2.952194     -1.946800
  C      -3.486690      3.772528     -1.543891
  C      -2.622157      3.321311     -0.520545
  N      -2.739484      2.151590      0.084158
  C      -3.757582      1.328443     -0.294507
  C      -3.758078      4.911712      5.016266
  C      -4.833722      4.724550      3.946766
  C      -4.265716      4.594373      2.543642
  O      -5.294665      4.417510      1.545484
  C      -6.078462      5.454802      1.196767
  C      -5.966150      6.767819      1.643293
  C      -6.892650      7.731881      1.194379
  N      -7.892014      7.506773      0.354706
  C      -8.004728      6.228281     -0.115174
  C      -9.036769      5.920883     -1.037315
  C      -9.132936      4.641948     -1.539981
  C      -8.190325      3.670425     -1.119737
  N      -7.224045      3.908733     -0.253750
  C      -7.125010      5.162579      0.255655
  C      -6.469171      1.688436      6.593623
  C      -7.023511      3.116924      6.768645
  C      -8.451333      3.305260      6.284769
  O      -8.498190      2.870712      4.912689
  C      -9.598780      3.116182      4.184707
  C     -10.671425      3.912212      4.559987
  C     -11.739135      4.093467      3.650840
  N     -11.826982      3.550749      2.447042
  C     -10.785869      2.742887      2.073529
  C     -10.824430      2.094769      0.814808
  C      -9.780050      1.275313      0.445149
  C      -8.696776      1.100646      1.337037
  N      -8.625615      1.673312      2.526701
  C      -9.644898      2.486401      2.895155
  H      -2.521922     -1.829785      4.781025
  H      -3.655503     -0.850538      3.842579
  H      -0.646969     -0.559096      3.419203
  H      -1.550275     -1.848247      2.609810
  H      -1.270944      0.309145      1.234427
  H      -2.384186      1.098979      2.380241
  H      -5.149592     -1.723649      0.318949
  H      -6.642939     -0.925907     -1.503611
  H      -5.220874      3.240064     -2.726071
  H      -3.334141      4.754550     -1.994321
  H      -1.793096      3.956661     -0.188343
  H      -3.069713      5.716813      4.685918
  H      -4.246876      5.301758      5.933323
  H      -5.500976      5.595981      4.002719
  H      -5.450907      3.840443      4.161660
  H      -3.646820      3.690610      2.455243
  H      -3.643114      5.467772      2.280405
  H      -5.185965      7.071912      2.336699
  H      -6.797493      8.757907      1.567146
  H      -9.721543      6.719644     -1.328395
  H      -9.910462      4.369162     -2.254558
  H      -8.226020      2.654107     -1.529250
  H      -6.983708      1.007810      7.302032
  H      -6.698815      1.342546      5.578830
  H      -6.371338      3.807884      6.212695
  H      -6.986985      3.427634      7.825650
  H      -8.737882      4.367780      6.349264
  H      -9.174941      2.711021      6.869364
  H     -10.707858      4.412376      5.526851
  H     -12.576400      4.731514      3.955309
  H     -11.685050      2.273308      0.168103
  H      -9.772312      0.771098     -0.522471
  H      -7.847574      0.471762      1.051809
  N      -4.691068      1.538121      3.841148
  N      -5.337334      1.270011      2.936415
100
Coordinates from ORCA-job orca E -6483.716245392055
  N      -2.412342      0.241237      5.157767
  Mo     -3.610519      1.806012      5.439527
  N      -5.023554      1.602883      6.803680
  C      -4.622236      1.698321      8.209309
  C      -3.170541      1.273233      8.352489
  N      -2.351756      1.905050      7.285617
  C      -1.099844      1.155439      7.003849
  C      -1.407581     -0.076278      6.171237
  C      -2.068682      3.338783      7.553786
  C      -1.872876      4.042574      6.213791
  N      -2.997633      3.713721      5.328392
  H      -0.465716     -0.429608      5.708812
  H      -1.760027     -0.911018      6.813641
  H      -0.446663      1.827553      6.431277
  H      -0.580258      0.893754      7.943753
  H      -1.803279      5.129816      6.388089
  H      -0.913761      3.741940      5.755339
  H      -2.948134      3.763950      8.056675
  H      -1.196664      3.445578      8.225663
  H      -5.246443      1.037219      8.840784
  H      -4.763670      2.723316      8.607791
  H      -3.098985      0.186035      8.207883
  H      -2.769360      1.517833      9.352785
  C      -2.622990     -0.883868      4.243596
  C      -1.645827     -0.852677      3.057787
  C      -2.069155      0.126167      1.976040
  O      -3.196947     -0.502745      1.310419
  C      -3.937956      0.063354      0.339678
  C      -4.991317     -0.719383     -0.125169
  C      -5.824525     -0.247987     -1.147894
  N      -5.698859      0.930170     -1.748008
  C      -4.674346      1.714790     -1.312656
  C      -4.494021      2.983596     -1.918499
  C      -3.466111      3.798799     -1.506771
  C      -2.609945      3.340976     -0.479662
  N      -2.733681      2.168653      0.118853
  C      -3.749791      1.348651     -0.271381
  C      -3.789856      4.897454      4.989486
  C      -4.864148      4.698104      3.922216
  C      -4.289471      4.554127      2.522298
  O      -5.315935      4.376449      1.522408
  C      -6.080030      5.423583      1.163933
  C      -5.950103      6.734101      1.611838
  C      -6.856282      7.713707      1.155253
  N      -7.851420      7.505772      0.306645
  C      -7.979593      6.229648     -0.166308
  C      -9.008255      5.939826     -1.097280
  C      -9.119945      4.663682     -1.603910
  C      -8.198112      3.676793     -1.177177
  N      -7.237472      3.896839     -0.298601
  C      -7.121724      5.148535      0.212110
  C      -6.469111      1.668454      6.617334
  C      -7.019109      3.098595      6.789912
  C      -8.447775      3.288742      6.311774
  O      -8.499908      2.856659      4.939309
  C      -9.601754      3.108126      4.214253
  C     -10.674251      3.899917      4.598756
  C     -11.744350      4.087805      3.694334
  N     -11.834392      3.555087      2.486305
  C     -10.793377      2.752640      2.102663
  C     -10.833604      2.117376      0.837407
  C      -9.790291      1.301218      0.458242
  C      -8.703150      1.120956      1.344433
  N      -8.629009      1.683719      2.538741
  C      -9.649571      2.490378      2.918916
  H      -2.503617     -1.835784      4.795806
  H      -3.651221     -0.872634      3.857806
  H      -0.642613     -0.573155      3.419104
  H      -1.555730     -1.856632      2.610961
  H      -1.271603      0.303997      1.241841
  H      -2.372653      1.094842      2.397839
  H      -5.161874     -1.697400      0.325588
  H      -6.648037     -0.882115     -1.494054
  H      -5.196167      3.277573     -2.699564
  H      -3.307873      4.782382     -1.951672
  H      -1.782948      3.973368     -0.137879
  H      -3.103515      5.700345      4.649747
  H      -4.279191      5.295751      5.902837
  H      -5.531088      5.571014      3.964402
  H      -5.484378      3.818298      4.145278
  H      -3.674300      3.648097      2.441473
  H      -3.662068      5.422893      2.255941
  H      -5.172427      7.024564      2.314394
  H      -6.746830      8.737820      1.529105
  H      -9.678929      6.748918     -1.392263
  H      -9.896064      4.405105     -2.325407
  H      -8.246083      2.662799     -1.589517
  H      -6.982471      0.990648      7.329511
  H      -6.703031      1.320536      5.604050
  H      -6.367376      3.785343      6.228011
  H      -6.976991      3.411930      7.845778
  H      -8.732964      4.351296      6.381174
  H      -9.169641      2.693698      6.897962
  H     -10.708366      4.391138      5.569999
  H     -12.580927      4.723250      4.005539
  H     -11.696048      2.300295      0.194359
  H      -9.786213      0.802899     -0.512371
  H      -7.854478      0.495088      1.051736
  N      -4.713285      1.509779      3.852339
  N      -5.356524      1.240362      2.944585
100
Coordinates from ORCA-job orca E -6483.716483526816
  N      -2.408510      0.246059      5.159279
  Mo     -3.620879      1.799965      5.448480
  N      -5.023028      1.583907      6.821217
  C      -4.613132      1.677451      8.224405
  C      -3.155463      1.266660      8.355973
  N      -2.350564      1.909952      7.284956
  C      -1.092378      1.175411      6.994596
  C      -1.392917     -0.059915      6.164803
  C      -2.084321      3.346523      7.553718
  C      -1.901045      4.054022      6.214697
  N      -3.024079      3.711926      5.331667
  H      -0.450661     -0.403817      5.696202
  H      -1.731729     -0.897882      6.810429
  H      -0.451139      1.854525      6.416759
  H      -0.563101      0.919747      7.930667
  H      -1.845932      5.141866      6.390237
  H      -0.939080      3.767072      5.753315
  H      -2.968641      3.760234      8.057659
  H      -1.212915      3.463644      8.224645
  H      -5.225888      1.006479      8.856784
  H      -4.762656      2.698853      8.629359
  H      -3.073945      0.180730      8.207667
  H      -2.749723      1.512974      9.354012
  C      -2.614616     -0.883085      4.249196
  C      -1.643473     -0.850260      3.058167
  C      -2.070476      0.128536      1.978156
  O      -3.203293     -0.497536      1.318827
  C      -3.938830      0.065669      0.342575
  C      -4.996208     -0.713998     -0.118448
  C      -5.826074     -0.244575     -1.144703
  N      -5.692985      0.928830     -1.752579
  C      -4.664810      1.710604     -1.320949
  C      -4.477383      2.974578     -1.934607
  C      -3.446369      3.787626     -1.526354
  C      -2.594686      3.332663     -0.494330
  N      -2.725286      2.164947      0.111858
  C      -3.743693      1.346560     -0.275745
  C      -3.820839      4.890385      4.984691
  C      -4.891825      4.682199      3.916542
  C      -4.310697      4.534502      2.519218
  O      -5.332203      4.356462      1.514217
  C      -6.083452      5.408503      1.144735
  C      -5.949179      6.717696      1.594979
  C      -6.840379      7.705157      1.126155
  N      -7.824246      7.506297      0.262545
  C      -7.955504      6.231632     -0.213700
  C      -8.972221      5.951565     -1.160417
  C      -9.087222      4.677038     -1.670485
  C      -8.181427      3.681866     -1.230669
  N      -7.232959      3.892051     -0.335946
  C      -7.113234      5.142394      0.177228
  C      -6.469120      1.648898      6.640293
  C      -7.019273      3.078190      6.818286
  C      -8.449552      3.268736      6.345751
  O      -8.503918      2.850303      4.969031
  C      -9.609448      3.104600      4.249931
  C     -10.688030      3.879834      4.650890
  C     -11.763427      4.071641      3.753785
  N     -11.852705      3.557672      2.537599
  C     -10.804828      2.773187      2.136426
  C     -10.842699      2.159901      0.860148
  C      -9.792393      1.361429      0.463292
  C      -8.698960      1.178888      1.341349
  N      -8.626438      1.721966      2.544807
  C      -9.655038      2.509276      2.943867
  H      -2.484865     -1.832134      4.804134
  H      -3.645057     -0.881289      3.869106
  H      -0.638393     -0.570842      3.414203
  H      -1.556134     -1.854189      2.610848
  H      -1.276454      0.304664      1.239858
  H      -2.369957      1.097676      2.401325
  H      -5.172788     -1.688047      0.338554
  H      -6.652886     -0.876326     -1.487224
  H      -5.176700      3.266749     -2.718885
  H      -3.282359      4.767413     -1.977488
  H      -1.765935      3.963742     -0.154451
  H      -3.137738      5.694749      4.641883
  H      -4.313129      5.290477      5.895738
  H      -5.561279      5.553654      3.951628
  H      -5.511136      3.802727      4.142003
  H      -3.695792      3.628445      2.442455
  H      -3.681448      5.402268      2.254270
  H      -5.179915      7.001243      2.309664
  H      -6.727523      8.728072      1.502226
  H      -9.631827      6.766375     -1.464392
  H      -9.854732      4.426180     -2.403893
  H      -8.232453      2.668952     -1.644831
  H      -6.980169      0.968961      7.352212
  H      -6.705771      1.303796      5.626579
  H      -6.370053      3.766633      6.255424
  H      -6.973295      3.388403      7.874862
  H      -8.737545      4.329766      6.426679
  H      -9.168244      2.666081      6.928208
  H     -10.723003      4.354534      5.630218
  H     -12.605000      4.693721      4.078130
  H     -11.709403      2.344253      0.223181
  H      -9.787330      0.878760     -0.515160
  H      -7.843980      0.568531      1.034415
  N      -4.726220      1.494112      3.864746
  N      -5.365878      1.223112      2.954627
100
Coordinates from ORCA-job orca E -6483.716687276592
  N      -2.411374      0.245874      5.159961
  Mo     -3.633328      1.792301      5.455488
  N      -5.023877      1.570066      6.838592
  C      -4.603797      1.663945      8.238655
  C      -3.141711      1.263444      8.358266
  N      -2.349736      1.913044      7.281125
  C      -1.088123      1.188746      6.982503
  C      -1.385923     -0.050537      6.157785
  C      -2.095072      3.351975      7.547320
  C      -1.924288      4.060073      6.207595
  N      -3.047926      3.706791      5.329292
  H      -0.444668     -0.388850      5.683212
  H      -1.713774     -0.889453      6.807888
  H      -0.457174      1.871716      6.397910
  H      -0.549364      0.939166      7.914749
  H      -1.879679      5.148478      6.382557
  H      -0.961335      3.782851      5.742144
  H      -2.981675      3.758129      8.053405
  H      -1.222640      3.477768      8.215324
  H      -5.206504      0.986701      8.874088
  H      -4.757832      2.683144      8.647647
  H      -3.053738      0.178262      8.208617
  H      -2.729908      1.512449      9.353139
  C      -2.614892     -0.886393      4.253336
  C      -1.647346     -0.852836      3.059222
  C      -2.074254      0.128922      1.982144
  O      -3.210784     -0.491737      1.324460
  C      -3.938955      0.072152      0.343361
  C      -4.997317     -0.704094     -0.121270
  C      -5.820555     -0.233378     -1.152207
  N      -5.679736      0.938268     -1.761817
  C      -4.651179      1.717154     -1.326065
  C      -4.456938      2.979795     -1.940273
  C      -3.426436      3.790922     -1.526899
  C      -2.582341      3.335361     -0.488952
  N      -2.719377      2.168681      0.117918
  C      -3.736838      1.351849     -0.275278
  C      -3.847757      4.880914      4.974544
  C      -4.917468      4.664878      3.907111
  C      -4.332657      4.511472      2.511621
  O      -5.351132      4.333490      1.503427
  C      -6.089737      5.390336      1.123433
  C      -5.951227      6.698416      1.575526
  C      -6.827948      7.693130      1.095054
  N      -7.800777      7.502638      0.217339
  C      -7.935038      6.229276     -0.261622
  C      -8.939528      5.958478     -1.223742
  C      -9.057577      4.685435     -1.736806
  C      -8.167959      3.682299     -1.283537
  N      -7.231690      3.883293     -0.373493
  C      -7.108110      5.132500      0.141522
  C      -6.470605      1.637005      6.665734
  C      -7.018028      3.066799      6.847433
  C      -8.449501      3.258766      6.380116
  O      -8.505402      2.851148      5.000258
  C      -9.615139      3.103627      4.286675
  C     -10.701878      3.860049      4.701275
  C     -11.782829      4.049628      3.810469
  N     -11.869565      3.550558      2.587872
  C     -10.812463      2.786394      2.172228
  C     -10.845763      2.190967      0.887278
  C      -9.786039      1.412526      0.476124
  C      -8.686249      1.234135      1.347210
  N      -8.617360      1.761573      2.557791
  C      -9.656404      2.527107      2.972138
  H      -2.478599     -1.833355      4.810395
  H      -3.646643     -0.890609      3.876851
  H      -0.640530     -0.576365      3.412508
  H      -1.563926     -1.856166      2.609897
  H      -1.281655      0.304155      1.242199
  H      -2.369682      1.098007      2.408088
  H      -5.179842     -1.676609      0.336639
  H      -6.648103     -0.862617     -1.497446
  H      -5.150885      3.272659     -2.729035
  H      -3.257218      4.769693     -1.978300
  H      -1.754527      3.965107     -0.144486
  H      -3.166813      5.685133      4.627080
  H      -4.341049      5.284689      5.883475
  H      -5.587910      5.535918      3.936061
  H      -5.536846      3.786594      4.136426
  H      -3.719290      3.604346      2.438789
  H      -3.701011      5.377219      2.246085
  H      -5.189989      6.975714      2.301227
  H      -6.712113      8.714908      1.473257
  H      -9.587757      6.778919     -1.536838
  H      -9.816011      4.441789     -2.482026
  H      -8.222088      2.670143     -1.698922
  H      -6.979219      0.957222      7.379650
  H      -6.712454      1.293191      5.652716
  H      -6.370258      3.755041      6.282499
  H      -6.967625      3.375476      7.904206
  H      -8.739336      4.318643      6.469853
  H      -9.165785      2.650477      6.959789
  H     -10.739400      4.320814      5.687083
  H     -12.631352      4.656221      4.145755
  H     -11.717006      2.371652      0.255446
  H      -9.778243      0.942457     -0.508371
  H      -7.823247      0.641233      1.028702
  N      -4.742787      1.477284      3.876082
  N      -5.380096      1.203870      2.964739
100
Coordinates from ORCA-job orca E -6483.716879958491
  N      -2.415038      0.245792      5.160242
  Mo     -3.645653      1.785273      5.461875
  N      -5.024953      1.557779      6.855074
  C      -4.594911      1.652287      8.252002
  C      -3.128998      1.261114      8.360145
  N      -2.349314      1.916159      7.277076
  C      -1.084834      1.201131      6.970492
  C      -1.380530     -0.041883      6.150808
  C      -2.104866      3.357142      7.540749
  C      -1.946521      4.065772      6.200294
  N      -3.071101      3.702105      5.327092
  H      -0.440473     -0.375444      5.670610
  H      -1.698446     -0.881328      6.805193
  H      -0.463654      1.887437      6.379372
  H      -0.537091      0.957434      7.899007
  H      -1.911558      5.154588      6.374838
  H      -0.983078      3.797624      5.730373
  H      -2.992897      3.756558      8.049680
  H      -1.230947      3.490705      8.205272
  H      -5.188211      0.969664      8.890610
  H      -4.752682      2.669568      8.664481
  H      -3.035296      0.176610      8.209428
  H      -2.711283      1.512744      9.351886
  C      -2.616343     -0.889300      4.256813
  C      -1.652028     -0.855332      3.059948
  C      -2.078731      0.128876      1.985256
  O      -3.218489     -0.487114      1.329109
  C      -3.939715      0.076744      0.343124
  C      -4.998978     -0.696580     -0.124404
  C      -5.815738     -0.225473     -1.160256
  N      -5.667441      0.943957     -1.772422
  C      -4.638572      1.720426     -1.333258
  C      -4.437597      2.981205     -1.949055
  C      -3.407547      3.790741     -1.531428
  C      -2.570832      3.335441     -0.487433
  N      -2.714200      2.170317      0.121056
  C      -3.730837      1.354762     -0.276804
  C      -3.874292      4.872030      4.965802
  C      -4.942412      4.648791      3.898610
  C      -4.353511      4.491176      2.505049
  O      -5.368399      4.313915      1.492976
  C      -6.095517      5.374946      1.103459
  C      -5.954523      6.681811      1.558236
  C      -6.818094      7.682735      1.067093
  N      -7.779613      7.499676      0.175561
  C      -7.915116      6.227758     -0.306927
  C      -8.906940      5.965215     -1.284188
  C      -9.026096      4.693805     -1.801083
  C      -8.151132      3.683882     -1.335563
  N      -7.227516      3.876744     -0.410579
  C      -7.101999      5.124560      0.107273
  C      -6.472347      1.626581      6.690596
  C      -7.017720      3.056430      6.877660
  C      -8.450490      3.249332      6.415365
  O      -8.506948      2.853954      5.032006
  C      -9.620913      3.103038      4.323598
  C     -10.717217      3.837955      4.751395
  C     -11.803418      4.023533      3.866184
  N     -11.886157      3.539882      2.637075
  C     -10.818519      2.798496      2.207544
  C     -10.845703      2.221226      0.914042
  C      -9.775007      1.465590      0.489193
  C      -8.669075      1.293648      1.353936
  N      -8.605366      1.805037      2.571612
  C      -9.656243      2.546145      3.000524
  H      -2.474269     -1.834337      4.815819
  H      -3.649218     -0.898841      3.883577
  H      -0.643630     -0.581627      3.410727
  H      -1.572208     -1.858199      2.609004
  H      -1.287296      0.303056      1.243891
  H      -2.370502      1.098058      2.413337
  H      -5.187182     -1.667273      0.335052
  H      -6.643943     -0.852564     -1.507711
  H      -5.126278      3.274101     -2.742392
  H      -3.233203      4.768101     -1.983918
  H      -1.743883      3.964121     -0.139092
  H      -3.195598      5.676579      4.614694
  H      -4.368977      5.278487      5.872819
  H      -5.614271      5.518989      3.922305
  H      -5.561304      3.771115      4.130815
  H      -3.741532      3.583083      2.435726
  H      -3.719496      5.355245      2.239956
  H      -5.201589      6.953562      2.294663
  H      -6.700719      8.703290      1.448067
  H      -9.544951      6.790429     -1.605549
  H      -9.775015      4.456604     -2.557929
  H      -8.206877      2.672661     -1.752861
  H      -6.978149      0.946091      7.405945
  H      -6.719464      1.284961      5.678028
  H      -6.371730      3.745569      6.311645
  H      -6.963253      3.362394      7.934972
  H      -8.743222      4.307596      6.514906
  H      -9.164007      2.634051      6.991167
  H     -10.758593      4.284075      5.743740
  H     -12.660008      4.612611      4.211944
  H     -11.721446      2.396421      0.286873
  H      -9.763111      1.008653     -0.501362
  H      -7.796959      0.720400      1.024495
  N      -4.759323      1.461579      3.886828
  N      -5.394647      1.186004      2.974520
100
Coordinates from ORCA-job orca E -6483.717067106085
  N      -2.419631      0.245531      5.160365
  Mo     -3.658258      1.778396      5.468250
  N      -5.026110      1.546376      6.871726
  C      -4.585887      1.641970      8.265353
  C      -3.116452      1.259642      8.361949
  N      -2.348990      1.919361      7.272733
  C      -1.082142      1.212922      6.958089
  C      -1.376335     -0.033793      6.143682
  C      -2.113892      3.362237      7.533610
  C      -1.968143      4.071015      6.192294
  N      -3.093992      3.697349      5.324626
  H      -0.437719     -0.363167      5.657894
  H      -1.684738     -0.873438      6.802386
  H      -0.470614      1.902118      6.360304
  H      -0.525443      0.975122      7.882760
  H      -1.942190      5.160164      6.366282
  H      -1.004616      3.811370      5.717595
  H      -3.002776      3.755494      8.045835
  H      -1.238150      3.503162      8.194181
  H      -5.169908      0.954536      8.907430
  H      -4.746921      2.657542      8.680905
  H      -3.017479      0.175754      8.210518
  H      -2.692649      1.514092      9.350381
  C      -2.618980     -0.892147      4.259919
  C      -1.657729     -0.857622      3.060485
  C      -2.084175      0.129166      1.988284
  O      -3.226899     -0.482238      1.333341
  C      -3.941190      0.081627      0.342581
  C      -5.000905     -0.689042     -0.128381
  C      -5.810848     -0.217693     -1.169418
  N      -5.655201      0.949652     -1.783818
  C      -4.626560      1.724044     -1.340591
  C      -4.419046      2.983156     -1.957566
  C      -3.390010      3.791435     -1.535007
  C      -2.561029      3.336543     -0.484702
  N      -2.710510      2.172776      0.124983
  C      -3.725782      1.358171     -0.278201
  C      -3.900274      4.863220      4.956856
  C      -4.966698      4.633008      3.889765
  C      -4.373680      4.470650      2.498219
  O      -5.384929      4.294480      1.482148
  C      -6.100505      5.359559      1.083151
  C      -5.957129      6.665313      1.540340
  C      -6.807647      7.672136      1.038703
  N      -7.757841      7.496105      0.133818
  C      -7.894470      6.225527     -0.351913
  C      -8.873579      5.970807     -1.343806
  C      -8.993706      4.700906     -1.864223
  C      -8.133250      3.684534     -1.386778
  N      -7.222316      3.869719     -0.447414
  C      -7.095042      5.116237      0.073106
  C      -6.474185      1.616758      6.715978
  C      -7.017992      3.046418      6.908649
  C      -8.452057      3.239690      6.451071
  O      -8.508493      2.856960      5.064184
  C      -9.626637      3.101836      4.360713
  C     -10.732764      3.814092      4.801268
  C     -11.823938      3.995037      3.921250
  N     -11.902187      3.527231      2.685673
  C     -10.823801      2.809760      2.242753
  C     -10.844291      2.251298      0.940744
  C      -9.762261      1.519897      0.502603
  C      -8.650564      1.355044      1.361483
  N      -8.592615      1.849795      2.586246
  C      -9.655549      2.565150      3.029217
  H      -2.471472     -1.835414      4.820623
  H      -3.652893     -0.906627      3.889798
  H      -0.647829     -0.586690      3.408955
  H      -1.581349     -1.859946      2.607799
  H      -1.293790      0.302498      1.245665
  H      -2.372479      1.098354      2.418566
  H      -5.194600     -1.658068      0.332290
  H      -6.639320     -0.842858     -1.519584
  H      -5.102161      3.275967     -2.755716
  H      -3.210731      4.767547     -1.988248
  H      -1.735408      3.964436     -0.131940
  H      -3.223581      5.667924      4.602239
  H      -4.396391      5.272474      5.861867
  H      -5.639633      5.502582      3.908032
  H      -5.585378      3.756204      4.124997
  H      -3.763620      3.561189      2.432637
  H      -3.736776      5.332637      2.233514
  H      -5.212506      6.931837      2.287087
  H      -6.688872      8.691549      1.422249
  H      -9.501444      6.800581     -1.673249
  H      -9.733103      4.469767     -2.632239
  H      -8.190570      2.674148     -1.805772
  H      -6.976817      0.935358      7.432807
  H      -6.726656      1.277344      5.703918
  H      -6.373948      3.736858      6.341854
  H      -6.959775      3.349469      7.966553
  H      -8.748255      4.296072      6.560530
  H      -9.162650      2.616954      7.022560
  H     -10.778335      4.245216      5.800028
  H     -12.688784      4.565722      4.277093
  H     -11.724270      2.420533      0.317850
  H      -9.745660      1.076863     -0.494116
  H      -7.769198      0.802453      1.021564
  N      -4.776572      1.446282      3.897898
  N      -5.410397      1.168475      2.985029
100
Coordinates from ORCA-job orca E -6483.717257782809
  N      -2.422015      0.246882      5.160103
  Mo     -3.670152      1.771778      5.474483
  N      -5.027043      1.533029      6.887307
  C      -4.577481      1.629402      8.277853
  C      -3.104375      1.257112      8.363440
  N      -2.349226      1.922869      7.269024
  C      -1.079314      1.226437      6.946509
  C      -1.370289     -0.023692      6.136423
  C      -2.124726      3.367528      7.528399
  C      -1.991749      4.077647      6.186958
  N      -3.117820      3.693291      5.323960
  H      -0.432646     -0.347665      5.645261
  H      -1.668707     -0.864179      6.798657
  H      -0.477875      1.919430      6.342906
  H      -0.514022      0.994560      7.867417
  H      -1.976322      5.166914      6.361386
  H      -1.027660      3.828152      5.707756
  H      -3.014781      3.753554      8.044067
  H      -1.247502      3.515901      8.185333
  H      -5.151967      0.936428      8.922654
  H      -4.742782      2.642891      8.696933
  H      -2.999097      0.174064      8.210604
  H      -2.675243      1.514121      9.348912
  C      -2.617916     -0.893067      4.261984
  C      -1.659845     -0.856232      3.059931
  C      -2.087139      0.132972      1.990581
  O      -3.232636     -0.474579      1.337337
  C      -3.940781      0.088722      0.342117
  C      -5.001521     -0.679379     -0.130802
  C      -5.805270     -0.208526     -1.176783
  N      -5.642326      0.956054     -1.794614
  C      -4.613482      1.728538     -1.348691
  C      -4.399437      2.985292     -1.968181
  C      -3.370948      3.792456     -1.542171
  C      -2.549286      3.338879     -0.485596
  N      -2.704812      2.177145      0.126501
  C      -3.719080      1.363261     -0.280645
  C      -3.927318      4.854656      4.948655
  C      -4.990337      4.616336      3.880349
  C      -4.391141      4.448265      2.491797
  O      -5.397351      4.273053      1.470400
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  C      -5.955241      6.646816      1.519123
  C      -6.792416      7.658963      1.005968
  N      -7.731205      7.488912      0.088212
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  C      -8.835652      5.970893     -1.404939
  C      -8.956834      4.701882     -1.927392
  C      -8.110785      3.679766     -1.437558
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  C      -7.083545      5.104286      0.037488
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  C      -7.019386      3.032410      6.938934
  C      -8.455517      3.225265      6.488001
  O      -8.514001      2.856471      5.097385
  C      -9.636601      3.099880      4.400246
  C     -10.750313      3.790818      4.855388
  C     -11.846652      3.971057      3.981730
  N     -11.922743      3.521667      2.739158
  C     -10.836182      2.826499      2.281139
  C     -10.852734      2.289498      0.969889
  C      -9.762075      1.580594      0.516708
  C      -8.644660      1.418314      1.368768
  N      -8.589811      1.894142      2.601103
  C      -9.662005      2.585583      3.059822
  H      -2.463767     -1.834669      4.823817
  H      -3.652856     -0.913626      3.895093
  H      -0.648756     -0.587012      3.406132
  H      -1.585734     -1.857736      2.605115
  H      -1.298212      0.306262      1.246485
  H      -2.372570      1.101818      2.423390
  H      -5.200584     -1.646293      0.331997
  H      -6.634440     -0.831836     -1.528488
  H      -5.077385      3.277395     -2.770963
  H      -3.186688      4.766762     -1.997283
  H      -1.724748      3.966201     -0.129434
  H      -3.252686      5.659879      4.591320
  H      -4.426389      5.266420      5.850934
  H      -5.664752      5.484962      3.891410
  H      -5.608681      3.740390      4.118580
  H      -3.783493      3.537078      2.431283
  H      -3.750426      5.307640      2.228026
  H      -5.219009      6.908897      2.275759
  H      -6.672070      8.677682      1.390813
  H      -9.453468      6.804689     -1.743049
  H      -9.686920      4.475805     -2.705762
  H      -8.169619      2.669846     -1.857288
  H      -6.974951      0.920379      7.457153
  H      -6.732950      1.266948      5.727690
  H      -6.378623      3.725101      6.371023
  H      -6.956465      3.332029      7.997495
  H      -8.755636      4.279339      6.608798
  H      -9.161983      2.594118      7.055462
  H     -10.798036      4.205258      5.861081
  H     -12.717777      4.524648      4.349010
  H     -11.736852      2.456063      0.352119
  H      -9.742973      1.153269     -0.486734
  H      -7.756422      0.884363      1.017252
  N      -4.793076      1.430820      3.909062
  N      -5.426031      1.150516      2.996182
100
Coordinates from ORCA-job orca E -6483.717448886408
  N      -2.422602      0.249830      5.159325
  Mo     -3.681012      1.765930      5.480333
  N      -5.027945      1.518779      6.901214
  C      -4.570323      1.615619      8.289043
  C      -3.093609      1.253914      8.364708
  N      -2.350236      1.926545      7.266182
  C      -1.076862      1.240841      6.936290
  C      -1.363316     -0.012188      6.129323
  C      -2.136926      3.372741      7.525389
  C      -2.016157      4.085327      6.184633
  N      -3.141292      3.690186      5.325047
  H      -0.426159     -0.330011      5.633363
  H      -1.651972     -0.854048      6.794131
  H      -0.485406      1.938267      6.327950
  H      -0.503719      1.014528      7.853673
  H      -2.012257      5.174444      6.360569
  H      -1.051028      3.847208      5.701506
  H      -3.028444      3.750847      8.044370
  H      -1.258685      3.528238      8.179272
  H      -5.135512      0.916658      8.935677
  H      -4.740649      2.626737      8.711965
  H      -2.981467      0.171878      8.209958
  H      -2.660106      1.513154      9.347682
  C      -2.613885     -0.891859      4.262647
  C      -1.658974     -0.851146      3.058015
  C      -2.088145      0.140644      1.992134
  O      -3.236399     -0.463506      1.341079
  C      -3.939381      0.098886      0.341927
  C      -5.001317     -0.667000     -0.131958
  C      -5.799508     -0.197305     -1.182625
  N      -5.629752      0.964165     -1.804529
  C      -4.600841      1.735296     -1.356622
  C      -4.380961      2.989515     -1.979138
  C      -3.353256      3.796172     -1.550307
  C      -2.538484      3.344737     -0.487534
  N      -2.699322      2.185187      0.127365
  C      -3.712247      1.371353     -0.283216
  C      -3.953265      4.846994      4.940767
  C      -5.011576      4.599919      3.870283
  C      -4.404669      4.423811      2.485738
  O      -5.405168      4.249561      1.458533
  C      -6.095588      5.321946      1.037389
  C      -5.944858      6.626954      1.494078
  C      -6.767534      7.644558      0.968462
  N      -7.696112      7.479950      0.039475
  C      -7.837781      6.210190     -0.447123
  C      -8.793257      5.967646     -1.464550
  C      -8.917833      4.698699     -1.986469
  C      -8.086890      3.670864     -1.483832
  N      -7.200463      3.843954     -0.518445
  C      -7.067235      5.089728      0.002305
  C      -6.477328      1.588396      6.760431
  C      -7.021443      3.015962      6.965916
  C      -8.460153      3.207558      6.523153
  O      -8.522829      2.851835      5.129266
  C      -9.650184      3.095820      4.439732
  C     -10.768938      3.768030      4.910333
  C     -11.870749      3.950525      4.044167
  N     -11.947325      3.520140      2.794892
  C     -10.855434      2.844366      2.321081
  C     -10.871233      2.329289      1.000880
  C      -9.775063      1.639563      0.532020
  C      -8.652011      1.475792      1.376472
  N      -8.597126      1.932630      2.615968
  C      -9.675388      2.603691      3.090922
  H      -2.452491     -1.832027      4.824950
  H      -3.649743     -0.919052      3.898832
  H      -0.646949     -0.582849      3.402026
  H      -1.586197     -1.851484      2.600491
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  H      -2.371119      1.108746      2.428053
  H      -5.205250     -1.631655      0.333407
  H      -6.629426     -0.819085     -1.535153
  H      -5.054116      3.280314     -2.786400
  H      -3.164571      4.768569     -2.007668
  H      -1.715340      3.972070     -0.128342
  H      -3.280171      5.652445      4.581084
  H      -4.456354      5.261722      5.839482
  H      -5.686960      5.467954      3.872006
  H      -5.630403      3.725516      4.112020
  H      -3.800647      3.510088      2.431848
  H      -3.758742      5.279413      2.222655
  H      -5.215957      6.884976      2.259251
  H      -6.643679      8.663145      1.352481
  H      -9.400290      6.805517     -1.811930
  H      -9.639824      4.477061     -2.773629
  H      -8.148772      2.660812     -1.902553
  H      -6.972919      0.903156      7.478726
  H      -6.738407      1.253873      5.748769
  H      -6.384910      3.710906      6.395827
  H      -6.952941      3.312821      8.024856
  H      -8.764143      4.259216      6.654984
  H      -9.161624      2.568322      7.087844
  H     -10.816546      4.165668      5.922776
  H     -12.745972      4.489266      4.423514
  H     -11.759430      2.495981      0.388988
  H      -9.756003      1.228013     -0.477925
  H      -7.759648      0.957085      1.013008
  N      -4.808296      1.416467      3.919674
  N      -5.440928      1.133752      3.007075
100
Coordinates from ORCA-job orca E -6483.717630258158
  N      -2.423478      0.253324      5.158765
  Mo     -3.691500      1.760859      5.486571
  N      -5.028719      1.505796      6.915254
  C      -4.563330      1.603679      8.300364
  C      -3.083291      1.252227      8.366545
  N      -2.351316      1.930958      7.263876
  C      -1.074847      1.255389      6.926685
  C      -1.357106     -0.000469      6.122809
  C      -2.148528      3.378509      7.522788
  C      -2.039618      4.093291      6.182748
  N      -3.163655      3.687651      5.326419
  H      -0.420475     -0.312575      5.622356
  H      -1.636524     -0.843486      6.790091
  H      -0.493199      1.956938      6.313651
  H      -0.494026      1.034587      7.840532
  H      -2.046920      5.182137      6.360254
  H      -1.073574      3.866358      5.695818
  H      -3.041216      3.749101      8.045158
  H      -1.269212      3.540795      8.173535
  H      -5.119469      0.899193      8.948928
  H      -4.738525      2.612597      8.726666
  H      -2.964619      0.171143      8.210340
  H      -2.645577      1.513983      9.346982
  C      -2.610507     -0.889974      4.263432
  C      -1.658841     -0.845559      3.056196
  C      -2.090561      0.148473      1.993703
  O      -3.241541     -0.452896      1.345340
  C      -3.939920      0.107942      0.342308
  C      -5.002121     -0.656891     -0.132742
  C      -5.794884     -0.189328     -1.188393
  N      -5.619407      0.969174     -1.814280
  C      -4.591633      1.740275     -1.363908
  C      -4.367414      2.992397     -1.989030
  C      -3.341906      3.799956     -1.556661
  C      -2.533840      3.351576     -0.487516
  N      -2.698529      2.193778      0.129696
  C      -3.708756      1.378678     -0.284962
  C      -3.976846      4.840366      4.932305
  C      -5.030811      4.585381      3.859925
  C      -4.416904      4.399114      2.479544
  O      -5.412646      4.227615      1.447306
  C      -6.087176      5.305035      1.014507
  C      -5.927622      6.609932      1.468381
  C      -6.733740      7.634385      0.930587
  N      -7.653698      7.476520     -0.008025
  C      -7.803042      6.206716     -0.492306
  C      -8.749377      5.971076     -1.519728
  C      -8.881298      4.702008     -2.039599
  C      -8.067323      3.667140     -1.524535
  N      -7.190735      3.833525     -0.548738
  C      -7.049822      5.079426     -0.030481
  C      -6.478636      1.573758      6.781198
  C      -7.023643      3.000325      6.990166
  C      -8.464708      3.189330      6.554736
  O      -8.531061      2.844507      5.158234
  C      -9.663085      3.087705      4.475846
  C     -10.786847      3.741174      4.960719
  C     -11.894013      3.924623      4.101726
  N     -11.970929      3.512081      2.846460
  C     -10.873747      2.855678      2.358109
  C     -10.888719      2.361569      1.029792
  C      -9.787112      1.691031      0.546365
  C      -8.658821      1.526309      1.383773
  N      -8.603971      1.965198      2.629782
  C      -9.688066      2.616223      3.119621
  H      -2.442265     -1.828746      4.826147
  H      -3.647215     -0.923383      3.902606
  H      -0.645915     -0.577799      3.397805
  H      -1.587158     -1.844797      2.596168
  H      -1.305834      0.323570      1.245802
  H      -2.371296      1.115863      2.432549
  H      -5.209941     -1.619515      0.335081
  H      -6.624670     -0.810566     -1.542070
  H      -5.035813      3.281122     -2.800975
  H      -3.150085      4.770886     -2.015813
  H      -1.713187      3.980051     -0.124782
  H      -3.304314      5.645036      4.569831
  H      -4.483449      5.259197      5.827154
  H      -5.705572      5.453965      3.851695
  H      -5.651663      3.713746      4.105932
  H      -3.818585      3.481536      2.432408
  H      -3.764037      5.249368      2.216535
  H      -5.204565      6.862870      2.240845
  H      -6.603343      8.652841      1.312736
  H      -9.343818      6.814109     -1.876226
  H      -9.596636      4.485666     -2.834292
  H      -8.135139      2.656725     -1.941237
  H      -6.970536      0.887547      7.501205
  H      -6.743434      1.239678      5.770281
  H      -6.391357      3.696691      6.416886
  H      -6.950006      3.296312      8.048958
  H      -8.772973      4.238584      6.695694
  H      -9.161144      2.542782      7.117420
  H     -10.834455      4.122902      5.979233
  H     -12.773348      4.448399      4.492287
  H     -11.780793      2.527849      0.423430
  H      -9.767810      1.294931     -0.469670
  H      -7.762437      1.022866      1.009104
  N      -4.823456      1.403630      3.930759
  N      -5.456288      1.119187      3.018521
100
Coordinates from ORCA-job orca E -6483.717804690005
  N      -2.424311      0.257386      5.158399
  Mo     -3.701565      1.756395      5.493056
  N      -5.029257      1.493508      6.929241
  C      -4.556301      1.592686      8.311652
  C      -3.073135      1.251361      8.368597
  N      -2.352359      1.935934      7.261926
  C      -1.072970      1.270336      6.917417
  C      -1.351051      0.011705      6.116592
  C      -2.159731      3.384704      7.520645
  C      -2.062583      4.101660      6.181375
  N      -3.185326      3.685631      5.328134
  H      -0.414998     -0.294740      5.611675
  H      -1.621328     -0.832399      6.786253
  H      -0.501152      1.975895      6.299753
  H      -0.484561      1.055074      7.827685
  H      -2.081035      5.190097      6.360613
  H      -1.095724      3.885997      5.690700
  H      -3.053316      3.747952      8.046624
  H      -1.279254      3.553532      8.168117
  H      -5.103517      0.882988      8.962184
  H      -4.736246      2.599494      8.741062
  H      -2.948057      0.171240      8.211023
  H      -2.631359      1.515675      9.346523
  C      -2.607492     -0.887552      4.264556
  C      -1.659093     -0.839998      3.054742
  C      -2.093400      0.155790      1.995194
  O      -3.247272     -0.443012      1.350022
  C      -3.941350      0.115991      0.343180
  C      -5.004074     -0.647816     -0.132388
  C      -5.791806     -0.182562     -1.192761
  N      -5.610838      0.972832     -1.822851
  C      -4.583893      1.743891     -1.370700
  C      -4.355515      2.993790     -1.998723
  C      -3.331868      3.802194     -1.563541
  C      -2.529891      3.356899     -0.488550
  N      -2.698238      2.200979      0.131217
  C      -3.706218      1.384753     -0.286672
  C      -3.999163      4.834406      4.923707
  C      -5.048751      4.571879      3.849348
  C      -4.428321      4.375165      2.473133
  O      -5.419695      4.207763      1.436010
  C      -6.077338      5.290683      0.991955
  C      -5.907073      6.595371      1.442467
  C      -6.695651      7.627140      0.892824
  N      -7.607814      7.476544     -0.054497
  C      -7.766931      6.206730     -0.535710
  C      -8.705381      5.978429     -1.571893
  C      -8.847034      4.709125     -2.088676
  C      -8.050994      3.666717     -1.561536
  N      -7.182908      3.826145     -0.576755
  C      -7.032146      5.072220     -0.061804
  C      -6.479724      1.559290      6.801680
  C      -7.026333      2.984743      7.012985
  C      -8.469743      3.170069      6.584443
  O      -8.539432      2.835333      5.185545
  C      -9.676007      3.076961      4.509916
  C     -10.804807      3.711341      5.008306
  C     -11.917208      3.894980      4.156255
  N     -11.994347      3.499888      2.895401
  C     -10.891857      2.863243      2.393247
  C     -10.905913      2.389937      1.057262
  C      -9.798741      1.739309      0.559776
  C      -8.665399      1.574248      1.390411
  N      -8.610816      1.995139      2.642673
  C      -9.700675      2.625688      3.146739
  H      -2.432771     -1.824877      4.827791
  H      -3.645013     -0.926829      3.906708
  H      -0.645266     -0.572645      3.393857
  H      -1.588524     -1.838345      2.592664
  H      -1.311014      0.331351      1.245036
  H      -2.371726      1.122742      2.436464
  H      -5.215689     -1.608250      0.338208
  H      -6.621661     -0.803267     -1.547109
  H      -5.019581      3.280398     -2.814969
  H      -3.137080      4.771576     -2.024699
  H      -1.711404      3.986456     -0.122924
  H      -3.326734      5.637920      4.558467
  H      -4.509244      5.257727      5.814471
  H      -5.722376      5.441294      3.831195
  H      -5.672010      3.703326      4.099662
  H      -3.836715      3.453188      2.432347
  H      -3.767710      5.219417      2.210374
  H      -5.189093      6.842823      2.221488
  H      -6.557126      8.645414      1.272546
  H      -9.286311      6.827016     -1.937334
  H      -9.556758      4.498370     -2.889903
  H      -8.126557      2.655803     -1.975517
  H      -6.967713      0.872390      7.523765
  H      -6.748021      1.224833      5.791736
  H      -6.398596      3.682442      6.436178
  H      -6.947921      3.280749      8.071393
  H      -8.782825      4.216744      6.733843
  H      -9.160881      2.516191      7.145262
  H     -10.852530      4.077451      6.032492
  H     -12.800677      4.403455      4.557509
  H     -11.801808      2.555363      0.456306
  H      -9.778899      1.358984     -0.462209
  H      -7.764882      1.086751      1.004870
  N      -4.838303      1.391791      3.942205
  N      -5.471814      1.105906      3.030639
100
Coordinates from ORCA-job orca E -6483.717970613993
  N      -2.425613      0.261975      5.157909
  Mo     -3.711489      1.752673      5.499679
  N      -5.029855      1.481934      6.943047
  C      -4.549495      1.581990      8.322800
  C      -3.063434      1.250572      8.370585
  N      -2.353652      1.941030      7.260255
  C      -1.071533      1.285279      6.908244
  C      -1.345536      0.024100      6.110164
  C      -2.170954      3.390844      7.519220
  C      -2.085148      4.110201      6.180929
  N      -3.206372      3.684246      5.330356
  H      -0.410157     -0.276670      5.600687
  H      -1.606687     -0.821159      6.781987
  H      -0.509513      1.994829      6.286175
  H      -0.475610      1.075315      7.814827
  H      -2.114493      5.198064      6.362250
  H      -1.117544      3.905764      5.686688
  H      -3.065386      3.746730      8.048779
  H      -1.289440      3.565923      8.163585
  H      -5.087928      0.867082      8.975009
  H      -4.734027      2.586574      8.755549
  H      -2.932151      0.171469      8.211348
  H      -2.617728      1.517145      9.346108
  C      -2.605768     -0.884626      4.265742
  C      -1.660723     -0.834851      3.053319
  C      -2.097405      0.162523      1.996428
  O      -3.254493     -0.433571      1.354845
  C      -3.944216      0.123146      0.343897
  C      -5.007306     -0.639952     -0.132012
  C      -5.789975     -0.177480     -1.197307
  N      -5.603712      0.974656     -1.831819
  C      -4.577671      1.745931     -1.378153
  C      -4.345308      2.993466     -2.009384
  C      -3.323562      3.802922     -1.571702
  C      -2.527427      3.360998     -0.490991
  N      -2.699263      2.207091      0.131591
  C      -3.705115      1.389656     -0.289040
  C      -4.020373      4.829265      4.915514
  C      -5.065742      4.559714      3.839201
  C      -4.439454      4.352703      2.467013
  O      -5.426958      4.189874      1.425389
  C      -6.067266      5.278349      0.970365
  C      -5.885628      6.582665      1.417527
  C      -6.655994      7.621832      0.856198
  N      -7.560311      7.478757     -0.099713
  C      -7.730093      6.209075     -0.577660
  C      -8.660807      5.988441     -1.622356
  C      -8.813397      4.718982     -2.135635
  C      -8.036238      3.668846     -1.596297
  N      -7.176259      3.821082     -0.603084
  C      -7.014551      5.067269     -0.091761
  C      -6.480838      1.545806      6.822023
  C      -7.028954      2.970244      7.035369
  C      -8.474495      3.151764      6.613130
  O      -8.546880      2.826610      5.212034
  C      -9.687952      3.065268      4.542727
  C     -10.822261      3.679614      5.053598
  C     -11.939864      3.861486      4.208072
  N     -12.016716      3.482866      2.942145
  C     -10.908321      2.867122      2.427219
  C     -10.920825      2.413784      1.084232
  C      -9.807380      1.784474      0.573647
  C      -8.669067      1.621159      1.397942
  N      -8.615480      2.024656      2.656006
  C      -9.711668      2.633476      3.173207
  H      -2.425243     -1.820497      4.829649
  H      -3.644080     -0.929057      3.910847
  H      -0.645843     -0.568250      3.389761
  H      -1.591788     -1.832513      2.589559
  H      -1.317408      0.337956      1.243828
  H      -2.372904      1.129323      2.439789
  H      -5.222654     -1.598027      0.341666
  H      -6.619773     -0.797892     -1.552216
  H      -5.005134      3.277685     -2.829904
  H      -3.125975      4.770673     -2.035075
  H      -1.710982      3.991719     -0.122901
  H      -3.347662      5.631323      4.547556
  H      -4.533749      5.257318      5.802119
  H      -5.737805      5.430176      3.811506
  H      -5.691696      3.694397      4.093650
  H      -3.854778      3.426291      2.432085
  H      -3.771107      5.190836      2.204477
  H      -5.172694      6.824483      2.202969
  H      -6.508793      8.639781      1.233492
  H      -9.227395      6.842775     -1.996791
  H      -9.517660      4.513968     -2.943159
  H      -8.120586      2.657389     -2.007152
  H      -6.964929      0.858387      7.546296
  H      -6.752710      1.210812      5.813141
  H      -6.405531      3.669152      6.455224
  H      -6.946172      3.266468      8.093353
  H      -8.792433      4.195854      6.770361
  H      -9.160532      2.490852      7.172031
  H     -10.870529      4.030767      6.082944
  H     -12.827929      4.353717      4.619273
  H     -11.820553      2.576783      0.488348
  H      -9.786362      1.419571     -0.453883
  H      -7.763869      1.150856      1.002254
  N      -4.852446      1.381702      3.953182
  N      -5.486353      1.094663      3.042069
100
Coordinates from ORCA-job orca E -6483.718135870023
  N      -2.426783      0.267328      5.157077
  Mo     -3.721506      1.749249      5.506386
  N      -5.030460      1.469790      6.956736
  C      -4.542769      1.570374      8.333845
  C      -3.053856      1.249331      8.372385
  N      -2.355335      1.946283      7.258766
  C      -1.070381      1.300977      6.898957
  C      -1.339798      0.037443      6.103198
  C      -2.183016      3.397014      7.518607
  C      -2.108740      4.119273      6.181620
  N      -3.228027      3.683299      5.333339
  H      -0.405076     -0.257081      5.588970
  H      -1.591379     -0.809245      6.776872
  H      -0.518503      2.014861      6.272776
  H      -0.466904      1.096278      7.801713
  H      -2.149430      5.206348      6.365542
  H      -1.140377      3.926719      5.683880
  H      -3.078308      3.745024      8.051932
  H      -1.300555      3.578354      8.159910
  H      -5.072205      0.849958      8.987405
  H      -4.732123      2.572495      8.770290
  H      -2.916030      0.171395      8.211029
  H      -2.604369      1.517939      9.345610
  C      -2.603871     -0.880948      4.266599
  C      -1.662364     -0.828856      3.051451
  C      -2.101778      0.169863      1.997158
  O      -3.262099     -0.423781      1.359485
  C      -3.947674      0.130324      0.344429
  C      -5.011290     -0.632114     -0.131376
  C      -5.789128     -0.172631     -1.201471
  N      -5.597675      0.976078     -1.840651
  C      -4.572313      1.747569     -1.385980
  C      -4.335985      2.992548     -2.020767
  C      -3.315896      3.803026     -1.581118
  C      -2.525302      3.364622     -0.494919
  N      -2.700590      2.212912      0.130778
  C      -3.704619      1.394347     -0.291988
  C      -4.042087      4.824437      4.907782
  C      -5.082716      4.547792      3.829072
  C      -4.450275      4.330732      2.461144
  O      -5.433677      4.172786      1.414756
  C      -6.056279      5.266640      0.948737
  C      -5.862764      6.570521      1.392221
  C      -6.614261      7.616912      0.818939
  N      -7.510601      7.481223     -0.145471
  C      -7.691737      6.211686     -0.619660
  C      -8.614802      5.998548     -1.672594
  C      -8.779192      4.728897     -2.181742
  C      -8.021663      3.671179     -1.629891
  N      -7.169667      3.816434     -0.628588
  C      -6.996165      5.062773     -0.121469
  C      -6.481969      1.531548      6.842314
  C      -7.031809      2.954823      7.058202
  C      -8.479387      3.132662      6.641991
  O      -8.554266      2.817373      5.238683
  C      -9.699518      3.053396      4.575362
  C     -10.838856      3.648282      5.097990
  C     -11.961309      3.828604      4.258638
  N     -12.038027      3.466115      2.987975
  C     -10.924249      2.870687      2.461023
  C     -10.935474      2.436827      1.111521
  C      -9.816263      1.828346      0.588571
  C      -8.673277      1.666709      1.406824
  N      -8.620508      2.053140      2.670318
  C      -9.722464      2.640785      3.199881
  H      -2.417357     -1.815322      4.831123
  H      -3.642982     -0.930661      3.914802
  H      -0.646465     -0.562716      3.385068
  H      -1.594882     -1.825872      2.586127
  H      -1.324343      0.345172      1.241953
  H      -2.374506      1.136530      2.442511
  H      -5.230341     -1.587671      0.345655
  H      -6.619013     -0.792761     -1.556585
  H      -4.991783      3.274258     -2.845381
  H      -3.115540      4.769013     -2.046968
  H      -1.710683      3.996482     -0.124823
  H      -3.368976      5.625106      4.537479
  H      -4.559205      5.257139      5.789946
  H      -5.753235      5.419173      3.791666
  H      -5.711323      3.685620      4.087283
  H      -3.872675      3.399910      2.431985
  H      -3.774056      5.162657      2.199257
  H      -5.154897      6.806833      2.183941
  H      -6.457909      8.634509      1.193461
  H      -9.166440      6.858530     -2.056285
  H      -9.478115      4.529452     -2.995281
  H      -8.115507      2.659139     -2.037137
  H      -6.962009      0.843312      7.568553
  H      -6.757407      1.196268      5.834424
  H      -6.412653      3.655235      6.475195
  H      -6.944908      3.250842      8.115887
  H      -8.802121      4.174075      6.807180
  H      -9.160438      2.464662      7.198622
  H     -10.887527      3.984824      6.132157
  H     -12.853560      4.305063      4.679212
  H     -11.838815      2.597462      0.520469
  H      -9.794282      1.478478     -0.444126
  H      -7.763843      1.213125      1.001591
  N      -4.866698      1.372225      3.964248
  N      -5.501258      1.084128      3.053783
100
Coordinates from ORCA-job orca E -6483.718299373816
  N      -2.427756      0.273343      5.155975
  Mo     -3.731641      1.745959      5.513108
  N      -5.031205      1.457013      6.970167
  C      -4.536373      1.557801      8.344676
  C      -3.044658      1.247673      8.374021
  N      -2.357636      1.951693      7.257508
  C      -1.069672      1.317497      6.889760
  C      -1.333853      0.051763      6.095881
  C      -2.196367      3.403223      7.518799
  C      -2.133630      4.128812      6.183444
  N      -3.250386      3.682621      5.336898
  H      -0.399701     -0.235921      5.576849
  H      -1.575427     -0.796611      6.771101
  H      -0.528236      2.036052      6.259807
  H      -0.458687      1.118080      7.788614
  H      -2.186226      5.214867      6.370446
  H      -1.164411      3.948856      5.682459
  H      -3.092719      3.742728      8.055815
  H      -1.313237      3.591001      8.157293
  H      -5.056612      0.831524      8.999181
  H      -4.730884      2.557185      8.785196
  H      -2.899900      0.171061      8.210148
  H      -2.591629      1.518173      9.345072
  C      -2.601623     -0.876640      4.267205
  C      -1.663883     -0.822065      3.049190
  C      -2.106612      0.177856      1.997607
  O      -3.270183     -0.413697      1.364219
  C      -3.951869      0.137208      0.344930
  C      -5.015601     -0.625220     -0.130651
  C      -5.788732     -0.169418     -1.205711
  N      -5.592645      0.975792     -1.849751
  C      -4.568404      1.748155     -1.394191
  C      -4.328761      2.990577     -2.032723
  C      -3.310832      3.802746     -1.591192
  C      -2.525598      3.368508     -0.499444
  N      -2.703723      2.219008      0.129524
  C      -3.705464      1.398697     -0.295234
  C      -4.064278      4.819729      4.900125
  C      -5.099829      4.535936      3.818774
  C      -4.461133      4.308530      2.455351
  O      -5.440518      4.155916      1.404280
  C      -6.044473      5.255264      0.927316
  C      -5.837883      6.558477      1.366906
  C      -6.569452      7.612295      0.781659
  N      -7.457894      7.484367     -0.191026
  C      -7.651721      6.215155     -0.661089
  C      -8.567394      6.009917     -1.721938
  C      -8.745042      4.740245     -2.226519
  C      -8.008309      3.674747     -1.662049
  N      -7.164038      3.812636     -0.652998
  C      -6.977315      5.058990     -0.150550
  C      -6.483183      1.516896      6.862389
  C      -7.034386      2.939115      7.081139
  C      -8.483744      3.113851      6.670476
  O      -8.560749      2.808585      5.265008
  C      -9.709944      3.041874      4.607347
  C     -10.854111      3.617440      5.140982
  C     -11.981190      3.795740      4.307462
  N     -12.057765      3.448728      3.032463
  C     -10.938816      2.873454      2.494290
  C     -10.948879      2.458138      1.138890
  C      -9.824154      1.870220      0.604454
  C      -8.676628      1.711022      1.416930
  N      -8.624611      2.081248      2.685356
  C      -9.732094      2.647895      3.226385
  H      -2.408911     -1.809444      4.832325
  H      -3.641524     -0.931807      3.918604
  H      -0.646985     -0.556056      3.379747
  H      -1.597663     -1.818427      2.582328
  H      -1.332029      0.353258      1.239577
  H      -2.376719      1.144312      2.445021
  H      -5.237913     -1.578233      0.349923
  H      -6.618356     -0.789780     -1.560950
  H      -4.980612      3.269243     -2.861504
  H      -3.108239      4.767006     -2.059635
  H      -1.713159      4.002016     -0.127461
  H      -3.390570      5.618913      4.527629
  H      -4.585442      5.257240      5.777522
  H      -5.768508      5.408340      3.771299
  H      -5.731395      3.677097      4.080621
  H      -3.891039      3.373152      2.431941
  H      -3.776731      5.133902      2.194240
  H      -5.134898      6.789001      2.164699
  H      -6.402975      8.629369      1.153199
  H      -9.103096      6.875734     -2.114956
  H      -9.438837      4.546623     -3.045839
  H      -8.112807      2.662223     -2.065370
  H      -6.959267      0.827787      7.590449
  H      -6.762269      1.181569      5.855449
  H      -6.419046      3.641007      6.495760
  H      -6.943665      3.234547      8.138639
  H      -8.810925      4.152620      6.843569
  H      -9.160226      2.439025      7.224495
  H     -10.903209      3.939796      6.179611
  H     -12.877471      4.256515      4.736813
  H     -11.855709      2.615917      0.552418
  H      -9.801311      1.534608     -0.432922
  H      -7.763172      1.273985      1.002819
  N      -4.880717      1.363105      3.975016
  N      -5.515816      1.073964      3.065107
100
Coordinates from ORCA-job orca E -6483.718464054268
  N      -2.428174      0.280109      5.154448
  Mo     -3.742303      1.742178      5.520077
  N      -5.031977      1.442208      6.983823
  C      -4.529841      1.542933      8.355665
  C      -3.035204      1.244873      8.375410
  N      -2.360527      1.957083      7.256351
  C      -1.069187      1.335389      6.880220
  C      -1.327018      0.067609      6.087714
  C      -2.211569      3.409318      7.519834
  C      -2.161188      4.138864      6.186514
  N      -3.274768      3.681770      5.341352
  H      -0.393357     -0.212030      5.563511
  H      -1.557511     -0.782924      6.764097
  H      -0.538963      2.059274      6.246824
  H      -0.450494      1.141482      7.774968
  H      -2.226862      5.223585      6.377203
  H      -1.191060      3.972851      5.682291
  H      -3.109103      3.739233      8.060840
  H      -1.327912      3.603996      8.155495
  H      -5.040235      0.810227      9.010796
  H      -4.730057      2.539192      8.800771
  H      -2.882700      0.169856      8.208357
  H      -2.578701      1.517124      9.344340
  C      -2.597846     -0.871491      4.267115
  C      -1.663962     -0.813293      3.046226
  C      -2.110709      0.187632      1.997538
  O      -3.277085     -0.402493      1.368349
  C      -3.955017      0.144922      0.344825
  C      -5.018790     -0.617650     -0.130439
  C      -5.787338     -0.165686     -1.210386
  N      -5.586776      0.975987     -1.859328
  C      -4.563695      1.749349     -1.403017
  C      -4.320874      2.989179     -2.045372
  C      -3.305132      3.803154     -1.602132
  C      -2.525152      3.373233     -0.504925
  N      -2.705993      2.226000      0.127398
  C      -3.705427      1.403837     -0.299161
  C      -4.088750      4.814353      4.892808
  C      -5.118260      4.522651      3.808198
  C      -4.472440      4.285031      2.449751
  O      -5.447107      4.137721      1.393359
  C      -6.032138      5.242096      0.905063
  C      -5.812253      6.544657      1.340176
  C      -6.523241      7.605400      0.742266
  N      -7.403418      7.484700     -0.238766
  C      -7.610327      6.215755     -0.704001
  C      -8.518484      6.017808     -1.772608
  C      -8.709924      4.748029     -2.271816
  C      -7.994640      3.675261     -1.694144
  N      -7.158284      3.806368     -0.677433
  C      -6.957766      5.052829     -0.180406
  C      -6.484453      1.500129      6.882770
  C      -7.037000      2.921160      7.105232
  C      -8.488116      3.093490      6.700244
  O      -8.567621      2.799241      5.292453
  C      -9.720394      3.031671      4.640462
  C     -10.868286      3.589344      5.185075
  C     -11.999584      3.767850      4.357377
  N     -12.076714      3.437163      3.078066
  C     -10.953834      2.880523      2.528711
  C     -10.963670      2.484429      1.167473
  C      -9.834751      1.915453      0.621609
  C      -8.683060      1.756446      1.428278
  N      -8.630922      2.109838      2.701553
  C      -9.742627      2.657040      3.254038
  H      -2.398026     -1.802659      4.832542
  H      -3.638490     -0.933010      3.921835
  H      -0.646323     -0.546577      3.373813
  H      -1.598110     -1.808844      2.577627
  H      -1.339111      0.363813      1.236735
  H      -2.378862      1.153597      2.447186
  H      -5.244233     -1.568101      0.353718
  H      -6.616658     -0.786384     -1.565661
  H      -4.968865      3.264680     -2.878244
  H      -3.100402      4.765656     -2.073242
  H      -1.714936      4.008485     -0.131169
  H      -3.414632      5.612398      4.518541
  H      -4.614807      5.256401      5.764994
  H      -5.785469      5.395640      3.749975
  H      -5.752458      3.666900      4.073399
  H      -3.909898      3.345204      2.432326
  H      -3.779709      5.103781      2.190003
  H      -5.114383      6.769809      2.144021
  H      -6.346353      8.621995      1.110257
  H      -9.037783      6.889071     -2.175466
  H      -9.398568      4.559759     -3.096710
  H      -8.110215      2.662231     -2.092998
  H      -6.956534      0.809757      7.612280
  H      -6.767200      1.165256      5.876628
  H      -6.425417      3.624843      6.517961
  H      -6.942383      3.215282      8.162727
  H      -8.819228      4.129555      6.881973
  H      -9.160259      2.411762      7.251146
  H     -10.917218      3.897038      6.228136
  H     -12.898933      4.214164      4.795466
  H     -11.873621      2.641170      0.585555
  H      -9.811788      1.594550     -0.420389
  H      -7.766625      1.334563      1.005334
  N      -4.895623      1.352937      3.986554
  N      -5.531829      1.062403      3.077759
100
Coordinates from ORCA-job orca E -6483.718629282029
  N      -2.428966      0.287043      5.152702
  Mo     -3.753310      1.738345      5.527015
  N      -5.032884      1.427258      6.997442
  C      -4.523354      1.527839      8.366541
  C      -3.025948      1.241992      8.376536
  N      -2.363847      1.962490      7.255068
  C      -1.069227      1.353534      6.870447
  C      -1.320532      0.083798      6.079151
  C      -2.227438      3.415302      7.520942
  C      -2.189513      4.148830      6.189787
  N      -3.299659      3.680801      5.345833
  H      -0.387457     -0.187566      5.549663
  H      -1.539668     -0.768923      6.756569
  H      -0.550354      2.082746      6.233749
  H      -0.442864      1.165183      7.761009
  H      -2.268437      5.232001      6.384343
  H      -1.218609      3.997018      5.682406
  H      -3.126139      3.735370      8.065913
  H      -1.343396      3.616985      8.153846
  H      -5.023753      0.788673      9.022166
  H      -4.729225      2.520841      8.816401
  H      -2.865669      0.168676      8.206100
  H      -2.565952      1.515943      9.343329
  C      -2.594443     -0.866118      4.266759
  C      -1.664435     -0.804301      3.043025
  C      -2.115203      0.197726      1.997336
  O      -3.284371     -0.390926      1.372298
  C      -3.958435      0.152809      0.344395
  C      -5.021924     -0.610206     -0.130802
  C      -5.785694     -0.162373     -1.215846
  N      -5.580784      0.975762     -1.869636
  C      -4.559212      1.750439     -1.412333
  C      -4.313428      2.987735     -2.058434
  C      -3.300246      3.803845     -1.613258
  C      -2.525645      3.378484     -0.510478
  N      -2.709006      2.233470      0.125131
  C      -3.705803      1.409166     -0.303396
  C      -4.113592      4.808760      4.885397
  C      -5.136967      4.509127      3.797535
  C      -4.484069      4.261294      2.444175
  O      -5.454002      4.119282      1.382523
  C      -6.019806      5.228437      0.883020
  C      -5.786424      6.530121      1.313783
  C      -6.476380      7.597546      0.703319
  N      -7.348045      7.484037     -0.286073
  C      -7.568325      6.215585     -0.746541
  C      -8.468775      6.024958     -1.822902
  C      -8.674375      4.755336     -2.316789
  C      -7.981086      3.675554     -1.725977
  N      -7.152786      3.799841     -0.701646
  C      -6.938102      5.046166     -0.210002
  C      -6.485811      1.483644      6.903315
  C      -7.039276      2.903638      7.129545
  C      -8.492052      3.073860      6.730202
  O      -8.573975      2.790640      5.320201
  C      -9.730249      3.021900      4.673729
  C     -10.881927      3.561211      5.228830
  C     -12.017297      3.739429      4.406699
  N     -12.094767      3.425025      3.123289
  C     -10.967874      2.887536      2.563276
  C     -10.977236      2.510683      1.196494
  C      -9.844024      1.961178      0.639770
  C      -8.688348      1.802854      1.440923
  N      -8.636344      2.139429      2.718813
  C      -9.752343      2.666656      3.282154
  H      -2.387568     -1.795633      4.832449
  H      -3.635776     -0.933938      3.924770
  H      -0.646045     -0.536938      3.367630
  H      -1.599018     -1.799019      2.572637
  H      -1.346605      0.374762      1.233790
  H      -2.381399      1.163157      2.449313
  H      -5.250383     -1.558114      0.356893
  H      -6.614433     -0.783660     -1.571366
  H      -4.957423      3.259853     -2.895523
  H      -3.093561      4.764648     -2.086965
  H      -1.717903      4.015703     -0.134820
  H      -3.438983      5.605618      4.509403
  H      -4.644599      5.255363      5.752244
  H      -5.802589      5.382653      3.728514
  H      -5.773884      3.656509      4.065999
  H      -3.929129      3.317102      2.432670
  H      -3.783074      5.073358      2.185871
  H      -5.093828      6.749914      2.123693
  H      -6.288910      8.613476      1.067865
  H      -8.971246      6.901486     -2.235543
  H      -9.357728      4.572432     -3.147271
  H      -8.108076      2.662202     -2.120396
  H      -6.953971      0.792154      7.634330
  H      -6.772423      1.149284      5.898024
  H      -6.431264      3.608963      6.540423
  H      -6.940708      3.196415      8.187024
  H      -8.826850      4.107221      6.920516
  H      -9.160022      2.385435      7.277897
  H     -10.930871      3.854183      6.276111
  H     -12.919790      4.170852      4.853126
  H     -11.890159      2.666036      0.618860
  H      -9.820693      1.655128     -0.406654
  H      -7.768859      1.396605      1.009571
  N      -4.910727      1.342828      3.997954
  N      -5.547937      1.050988      3.090173
100
Coordinates from ORCA-job orca E -6483.718793060105
  N      -2.430143      0.294106      5.150734
  Mo     -3.764633      1.734477      5.533906
  N      -5.033792      1.412278      7.011106
  C      -4.516675      1.512805      8.377341
  C      -3.016650      1.239269      8.377379
  N      -2.367384      1.968004      7.253516
  C      -1.069670      1.371884      6.860288
  C      -1.314429      0.100250      6.070182
  C      -2.243539      3.421271      7.521824
  C      -2.218318      4.158657      6.192874
  N      -3.324979      3.679704      5.350209
  H      -0.382088     -0.162754      5.535295
  H      -1.522029     -0.754591      6.748577
  H      -0.562279      2.106329      6.220333
  H      -0.435646      1.189182      7.746567
  H      -2.310509      5.240088      6.391363
  H      -1.246888      4.021135      5.682264
  H      -3.143225      3.731437      8.070881
  H      -1.359104      3.629995      8.151856
  H      -5.006912      0.767268      9.033468
  H      -4.728084      2.502494      8.831989
  H      -2.848617      0.167734      8.203465
  H      -2.553058      1.514950      9.341956
  C      -2.591348     -0.860573      4.266142
  C      -1.665189     -0.795058      3.039616
  C      -2.119903      0.208079      1.996944
  O      -3.291794     -0.379063      1.375956
  C      -3.961867      0.161015      0.343665
  C      -5.025093     -0.602342     -0.131572
  C      -5.783948     -0.158571     -1.221719
  N      -5.574531      0.976001     -1.880268
  C      -4.554447      1.751905     -1.421882
  C      -4.305549      2.986662     -2.071638
  C      -3.294905      3.804822     -1.624453
  C      -2.525802      3.383929     -0.516124
  N      -2.711824      2.241139      0.122697
  C      -3.706023      1.414790     -0.307853
  C      -4.138803      4.802979      4.877961
  C      -5.155895      4.495383      3.786815
  C      -4.495866      4.237507      2.438641
  O      -5.460875      4.100749      1.371609
  C      -6.007395      5.214300      0.860997
  C      -5.760579      6.514951      1.287459
  C      -6.429298      7.588625      0.664499
  N      -7.292222      7.482016     -0.333224
  C      -7.525861      6.214227     -0.788963
  C      -8.418428      6.030663     -1.873020
  C      -8.638227      4.761405     -2.361629
  C      -7.967149      3.675068     -1.757804
  N      -7.147071      3.792771     -0.725904
  C      -6.918169      5.038763     -0.239575
  C      -6.487159      1.467188      6.924077
  C      -7.041579      2.886099      7.154172
  C      -8.496045      3.054112      6.760577
  O      -8.580442      2.782080      5.348421
  C      -9.740123      3.012176      4.707350
  C     -10.895497      3.532854      5.272581
  C     -12.034740      3.710855      4.455802
  N     -12.112450      3.413072      3.168421
  C     -10.981668      2.895010      2.598126
  C     -10.990448      2.537835      1.225963
  C      -9.853050      2.008124      0.658776
  C      -8.693629      1.850334      1.454658
  N      -8.641879      2.169700      2.737024
  C      -9.762028      2.676665      3.310816
  H      -2.377374     -1.788406      4.832036
  H      -3.633316     -0.934752      3.927446
  H      -0.646083     -0.527026      3.361299
  H      -1.600159     -1.788924      2.567417
  H      -1.354261      0.385995      1.230726
  H      -2.384160      1.172957      2.451253
  H      -5.256690     -1.547685      0.359588
  H      -6.612125     -0.780372     -1.577571
  H      -4.945461      3.255465     -2.912934
  H      -3.086150      4.763918     -2.100689
  H      -1.720515      4.023036     -0.138511
  H      -3.463698      5.598701      4.500371
  H      -4.674846      5.253999      5.739402
  H      -5.819950      5.369300      3.707015
  H      -5.795454      3.645845      4.058401
  H      -3.948530      3.289070      2.432996
  H      -3.786685      5.042880      2.181998
  H      -5.073434      6.729586      2.103417
  H      -6.231268      8.603760      1.025628
  H      -8.903931      6.912107     -2.295369
  H      -9.316184      4.583683     -3.197637
  H      -8.105630      2.661574     -2.147838
  H      -6.951316      0.774576      7.656619
  H      -6.777726      1.133353      5.919675
  H      -6.437260      3.593138      6.563191
  H      -6.938976      3.177500      8.211619
  H      -8.834543      4.084645      6.959596
  H      -9.159755      2.358921      7.304950
  H     -10.944530      3.810834      6.323941
  H     -12.940296      4.127174      4.910261
  H     -11.906154      2.691908      0.652388
  H      -9.829244      1.717319     -0.391953
  H      -7.771176      1.459961      1.015230
  N      -4.926374      1.332628      4.009563
  N      -5.564819      1.039548      3.102959
100
Coordinates from ORCA-job orca E -6483.718956213065
  N      -2.432726      0.300978      5.148546
  Mo     -3.776184      1.731345      5.540149
  N      -5.034942      1.399537      7.024337
  C      -4.510264      1.500662      8.387583
  C      -3.008074      1.238308      8.377917
  N      -2.371194      1.974043      7.251401
  C      -1.070991      1.389438      6.849899
  C      -1.310168      0.115904      6.061242
  C      -2.258711      3.427653      7.521597
  C      -2.245971      4.168263      6.194634
  N      -3.349450      3.678905      5.353584
  H      -0.378814     -0.139728      5.521183
  H      -1.507059     -0.740559      6.740798
  H      -0.574281      2.128299      6.206624
  H      -0.429735      1.212151      7.732031
  H      -2.350646      5.247914      6.396747
  H      -1.274402      4.044208      5.680699
  H      -3.158875      3.728796      8.074875
  H      -1.373631      3.642989      8.148451
  H      -4.990875      0.749677      9.044648
  H      -4.726433      2.487483      8.846287
  H      -2.833108      0.168394      8.201103
  H      -2.540740      1.515935      9.340124
  C      -2.590637     -0.855228      4.265513
  C      -1.668104     -0.787580      3.036282
  C      -2.125527      0.216843      1.996247
  O      -3.300831     -0.367600      1.379477
  C      -3.966784      0.169351      0.342992
  C      -5.030506     -0.593542     -0.131891
  C      -5.784481     -0.153348     -1.226859
  N      -5.569974      0.977462     -1.890214
  C      -4.550677      1.753886     -1.431127
  C      -4.298161      2.985986     -2.084510
  C      -3.289377      3.805544     -1.635698
  C      -2.525551      3.388548     -0.522267
  N      -2.714689      2.248052      0.119737
  C      -3.707024      1.420330     -0.312403
  C      -4.162849      4.797704      4.869829
  C      -5.173856      4.482589      3.775548
  C      -4.506690      4.215134      2.432659
  O      -5.466601      4.083864      1.360249
  C      -5.993786      5.201763      0.839485
  C      -5.733015      6.500928      1.262158
  C      -6.380466      7.580843      0.627685
  N      -7.235188      7.481491     -0.377766
  C      -7.482784      6.214780     -0.829188
  C      -8.368039      6.038603     -1.920374
  C      -8.602561      4.770146     -2.404138
  C      -7.953708      3.677328     -1.788231
  N      -7.141337      3.788226     -0.749307
  C      -6.897628      5.033404     -0.267983
  C      -6.488669      1.452824      6.944838
  C      -7.044100      2.870681      7.178443
  C      -8.500224      3.035620      6.790462
  O      -8.586546      2.773968      5.376447
  C      -9.749645      3.000729      4.740312
  C     -10.909522      3.501154      5.314567
  C     -12.052485      3.676465      4.502461
  N     -12.129527      3.394233      3.211517
  C     -10.994021      2.897105      2.632142
  C     -11.001211      2.558576      1.255198
  C      -9.858688      2.050304      0.678766
  C      -8.695688      1.895579      1.470119
  N      -8.645159      2.198729      2.756530
  C      -9.770343      2.683945      3.339415
  H      -2.370809     -1.781428      4.831919
  H      -3.633211     -0.934636      3.929890
  H      -0.647990     -0.519968      3.354978
  H      -1.604592     -1.780842      2.562649
  H      -1.362599      0.394504      1.227363
  H      -2.386723      1.181605      2.452529
  H      -5.265776     -1.536116      0.362815
  H      -6.612685     -0.775057     -1.582725
  H      -4.934171      3.251943     -2.929678
  H      -3.078169      4.762847     -2.114440
  H      -1.722153      4.029003     -0.143031
  H      -3.487040      5.592150      4.490730
  H      -4.703753      5.253081      5.725924
  H      -5.836273      5.356865      3.685370
  H      -5.816152      3.636038      4.049900
  H      -3.967021      3.262555      2.432614
  H      -3.789387      5.013843      2.178046
  H      -5.050870      6.710031      2.083782
  H      -6.171423      8.594844      0.985741
  H      -8.836553      6.924861     -2.351716
  H      -9.275518      4.597947     -3.245339
  H      -8.104158      2.663999     -2.174078
  H      -6.948468      0.759315      7.679316
  H      -6.783545      1.119079      5.941590
  H      -6.443662      3.579344      6.585322
  H      -6.937546      3.161173      8.235718
  H      -8.843126      4.063086      6.997723
  H      -9.159261      2.333439      7.331583
  H     -10.959404      3.764602      6.369614
  H     -12.961783      4.076484      4.963991
  H     -11.919707      2.709280      0.685191
  H      -9.833553      1.774070     -0.375841
  H      -7.769621      1.522360      1.023615
  N      -4.942537      1.323767      4.020538
  N      -5.582346      1.030355      3.114809
100
Coordinates from ORCA-job orca E -6483.719119582163
  N      -2.433722      0.309287      5.146010
  Mo     -3.787385      1.728282      5.546218
  N      -5.035690      1.385471      7.036996
  C      -4.503901      1.487652      8.397373
  C      -2.999453      1.237646      8.378415
  N      -2.375367      1.981028      7.249603
  C      -1.072298      1.408912      6.840108
  C      -1.304654      0.133707      6.052273
  C      -2.275179      3.434854      7.522053
  C      -2.275505      4.178820      6.197339
  N      -3.375186      3.678524      5.357658
  H      -0.373992     -0.113627      5.507297
  H      -1.490410     -0.724680      6.732540
  H      -0.586325      2.152629      6.194182
  H      -0.424236      1.237096      7.718292
  H      -2.393593      5.256370      6.403433
  H      -1.303804      4.069201      5.680234
  H      -3.175776      3.726270      8.079804
  H      -1.389528      3.657203      8.145598
  H      -4.974545      0.731007      9.055192
  H      -4.725609      2.471435      8.860031
  H      -2.816644      0.169583      8.198534
  H      -2.528828      1.517442      9.338390
  C      -2.587164     -0.848661      4.264644
  C      -1.668572     -0.778273      3.032454
  C      -2.129784      0.226565      1.994806
  O      -3.308713     -0.355908      1.383524
  C      -3.971526      0.177314      0.343224
  C      -5.036601     -0.584990     -0.129580
  C      -5.786582     -0.148958     -1.228944
  N      -5.567078      0.977360     -1.898272
  C      -4.547828      1.754276     -1.440097
  C      -4.291855      2.983101     -2.098268
  C      -3.284257      3.804074     -1.649389
  C      -2.524863      3.391604     -0.531271
  N      -2.716900      2.253960      0.114925
  C      -3.708042      1.424880     -0.317240
  C      -4.188309      4.792593      4.862216
  C      -5.192195      4.469812      3.764087
  C      -4.516728      4.192657      2.427149
  O      -5.470534      4.067894      1.348441
  C      -5.977556      5.190150      0.817778
  C      -5.701409      6.487479      1.236199
  C      -6.326822      7.573572      0.590246
  N      -7.174067      7.481643     -0.422193
  C      -7.437214      6.216265     -0.868663
  C      -8.316274      6.047463     -1.965973
  C      -8.567041      4.780023     -2.444211
  C      -7.940879      3.680902     -1.816581
  N      -7.135379      3.785076     -0.771423
  C      -6.875290      5.029196     -0.295828
  C      -6.489802      1.435889      6.964487
  C      -7.047247      2.852233      7.201980
  C      -8.505065      3.013828      6.819361
  O      -8.593535      2.763399      5.403363
  C      -9.759921      2.988147      4.772350
  C     -10.923233      3.469600      5.355847
  C     -12.069669      3.644567      4.548626
  N     -12.146881      3.378954      3.254163
  C     -11.007966      2.901020      2.665522
  C     -11.014749      2.581850      1.283886
  C      -9.868620      2.092762      0.698124
  C      -8.702367      1.938205      1.484747
  N      -8.651857      2.224721      2.775047
  C      -9.780572      2.690477      3.367162
  H      -2.360535     -1.772916      4.831615
  H      -3.630303     -0.934354      3.932327
  H      -0.647669     -0.509893      3.347798
  H      -1.605670     -1.771012      2.557702
  H      -1.370183      0.403879      1.222667
  H      -2.387974      1.191309      2.452692
  H      -5.275468     -1.524266      0.369643
  H      -6.615469     -0.770479     -1.583467
  H      -4.924640      3.245772     -2.946899
  H      -3.070725      4.759146     -2.131525
  H      -1.722867      4.033467     -0.151591
  H      -3.511893      5.586208      4.482378
  H      -4.734958      5.251774      5.712623
  H      -5.852898      5.344329      3.662752
  H      -5.837368      3.626344      4.040766
  H      -3.985720      3.235548      2.432879
  H      -3.790298      4.983986      2.175730
  H      -5.023712      6.690820      2.063017
  H      -6.105551      8.586232      0.944684
  H      -8.767385      6.938386     -2.406141
  H      -9.235901      4.613374     -3.289805
  H      -8.104540      2.667955     -2.197703
  H      -6.944945      0.740936      7.700537
  H      -6.788461      1.102276      5.962243
  H      -6.450943      3.563095      6.607151
  H      -6.937075      3.141326      8.259227
  H      -8.852592      4.037928      7.035461
  H      -9.159297      2.304211      7.356661
  H     -10.973294      3.717883      6.414570
  H     -12.981725      4.029595      5.017360
  H     -11.935785      2.731373      0.717647
  H      -9.843123      1.831363     -0.360248
  H      -7.774020      1.579751      1.031184
  N      -4.958885      1.314133      4.032058
  N      -5.601075      1.020126      3.128004
100
Coordinates from ORCA-job orca E -6483.719279374202
  N      -2.437281      0.316918      5.143308
  Mo     -3.798191      1.727178      5.551213
  N      -5.036717      1.376759      7.048752
  C      -4.498093      1.480710      8.406216
  C      -2.992135      1.240079      8.378634
  N      -2.379234      1.988531      7.247062
  C      -1.074517      1.425596      6.830319
  C      -1.302561      0.148825      6.043743
  C      -2.288255      3.442526      7.520573
  C      -2.300324      4.188612      6.197507
  N      -3.397229      3.679153      5.359691
  H      -0.373015     -0.092600      5.494335
  H      -1.479332     -0.710605      6.725093
  H      -0.597158      2.172559      6.181668
  H      -0.420537      1.258231      7.704923
  H      -2.429448      5.264341      6.406747
  H      -1.328990      4.090864      5.677211
  H      -3.188424      3.726529      8.082816
  H      -1.401479      3.670621      8.140388
  H      -4.960298      0.720178      9.065556
  H      -4.723603      2.462420      8.871507
  H      -2.803546      0.173382      8.196762
  H      -2.517922      1.522081      9.336195
  C      -2.589225     -0.842829      4.264210
  C      -1.674074     -0.773622      3.029261
  C      -2.136011      0.232217      1.993114
  O      -3.320328     -0.345127      1.387618
  C      -3.979485      0.186080      0.343992
  C      -5.047426     -0.573612     -0.126563
  C      -5.793346     -0.139975     -1.229632
  N      -5.567584      0.981905     -1.904266
  C      -4.546900      1.757460     -1.447154
  C      -4.286204      2.983124     -2.109335
  C      -3.278320      3.803753     -1.660509
  C      -2.523042      3.393854     -0.538692
  N      -2.719093      2.258824      0.110919
  C      -3.710647      1.430171     -0.321049
  C      -4.209109      4.789326      4.853252
  C      -5.207109      4.460166      3.752066
  C      -4.524375      4.173244      2.420776
  O      -5.472540      4.054775      1.336481
  C      -5.959881      5.181182      0.797162
  C      -5.667728      6.476197      1.211627
  C      -6.271436      7.568340      0.555354
  N      -7.112101      7.484129     -0.463188
  C      -7.391571      6.220526     -0.904883
  C      -8.265215      6.059459     -2.007611
  C      -8.532997      4.793527     -2.480503
  C      -7.929558      3.688171     -1.841910
  N      -7.129947      3.785344     -0.791340
  C      -6.852671      5.027947     -0.321457
  C      -6.491078      1.424154      6.983610
  C      -7.050820      2.839001      7.224051
  C      -8.510182      2.995384      6.846215
  O      -8.599551      2.754672      5.428647
  C      -9.769718      2.972148      4.802307
  C     -10.938187      3.430583      5.393903
  C     -12.088556      3.599365      4.591074
  N     -12.164709      3.348174      3.293690
  C     -11.020539      2.893392      2.697046
  C     -11.025561      2.591606      1.311562
  C      -9.873850      2.125841      0.717599
  C      -8.703851      1.977534      1.500019
  N      -8.654683      2.249360      2.793651
  C      -9.788839      2.691654      3.393626
  H      -2.359014     -1.765430      4.832498
  H      -3.633008     -0.931690      3.934722
  H      -0.651608     -0.507301      3.341120
  H      -1.614713     -1.766462      2.554309
  H      -1.379143      0.406370      1.217686
  H      -2.388358      1.198014      2.451826
  H      -5.291120     -1.509443      0.376767
  H      -6.624093     -0.759796     -1.582708
  H      -4.916027      3.244069     -2.960717
  H      -3.061529      4.756686     -2.145398
  H      -1.721167      4.035656     -0.158770
  H      -3.531427      5.581348      4.472262
  H      -4.760358      5.252785      5.698370
  H      -5.865384      5.335420      3.640475
  H      -5.855839      3.620197      4.031085
  H      -4.002170      3.211664      2.431934
  H      -3.789030      4.957084      2.172169
  H      -4.993632      6.673444      2.042937
  H      -6.037373      8.579314      0.906331
  H      -8.698854      6.954941     -2.455983
  H      -9.198228      4.632846     -3.330179
  H      -8.107099      2.675896     -2.218270
  H      -6.941059      0.728189      7.721898
  H      -6.793918      1.089830      5.982780
  H      -6.458831      3.551886      6.627182
  H      -6.937584      3.127695      8.281037
  H      -8.863842      4.015691      7.070219
  H      -9.158835      2.277881      7.379853
  H     -10.989473      3.664580      6.455788
  H     -13.004841      3.966226      5.066045
  H     -11.949758      2.735204      0.748928
  H      -9.846808      1.877988     -0.343998
  H      -7.771780      1.637118      1.040328
  N      -4.974620      1.308024      4.041813
  N      -5.618664      1.014203      3.138695
100
Coordinates from ORCA-job orca E -6483.719429374357
  N      -2.436720      0.327283      5.140437
  Mo     -3.808058      1.725511      5.556947
  N      -5.036542      1.363465      7.060238
  C      -4.491560      1.468687      8.415090
  C      -2.983493      1.240826      8.378961
  N      -2.383095      1.997047      7.245647
  C      -1.075542      1.446690      6.821539
  C      -1.296189      0.168728      6.034965
  C      -2.304349      3.451032      7.521572
  C      -2.329062      4.200007      6.200802
  N      -3.421974      3.680227      5.364125
  H      -0.367153     -0.064064      5.481079
  H      -1.462053     -0.692737      6.716489
  H      -0.608178      2.198592      6.171266
  H      -0.415647      1.284274      7.692576
  H      -2.471192      5.273366      6.414005
  H      -1.357830      4.116259      5.677707
  H      -3.204713      3.725417      8.088245
  H      -1.417109      3.686075      8.138077
  H      -4.943933      0.702621      9.074876
  H      -4.722925      2.447261      8.884175
  H      -2.786764      0.176184      8.193818
  H      -2.506512      1.524952      9.334520
  C      -2.584312     -0.834809      4.263870
  C      -1.673260     -0.764428      3.025785
  C      -2.139087      0.240250      1.990606
  O      -3.327846     -0.335337      1.392631
  C      -3.984850      0.191196      0.345401
  C      -5.055140     -0.567798     -0.120929
  C      -5.798205     -0.139198     -1.227894
  N      -5.567704      0.977230     -1.909922
  C      -4.546073      1.753226     -1.455843
  C      -4.282171      2.974752     -2.124347
  C      -3.274536      3.796799     -1.677570
  C      -2.522432      3.392259     -0.551709
  N      -2.721065      2.260852      0.103432
  C      -3.712431      1.430919     -0.326380
  C      -4.233321      4.786045      4.846905
  C      -5.224126      4.450311      3.741744
  C      -4.533268      4.153594      2.416482
  O      -5.474928      4.042705      1.325581
  C      -5.941884      5.173090      0.777226
  C      -5.633532      6.465648      1.187480
  C      -6.214715      7.563371      0.520164
  N      -7.048265      7.486546     -0.504773
  C      -7.344370      6.224902     -0.941386
  C      -8.212469      6.071182     -2.049516
  C      -8.497633      4.806922     -2.516636
  C      -7.917379      3.695950     -1.866878
  N      -7.123891      3.786433     -0.810892
  C      -6.829149      5.027346     -0.346916
  C      -6.491313      1.406373      7.000958
  C      -7.055203      2.818702      7.245927
  C      -8.516231      2.970223      6.872526
  O      -8.607233      2.742495      5.452723
  C      -9.781021      2.956875      4.831654
  C     -10.952790      3.394312      5.432705
  C     -12.106740      3.563023      4.635031
  N     -12.183373      3.330577      3.334184
  C     -11.036179      2.896537      2.728075
  C     -11.041348      2.616211      1.337978
  C      -9.886684      2.170401      0.734548
  C      -8.713523      2.021306      1.512011
  N      -8.663772      2.275059      2.809366
  C      -9.800745      2.697005      3.418786
  H      -2.347569     -1.754990      4.833458
  H      -3.628633     -0.929924      3.937820
  H      -0.650001     -0.496742      3.333711
  H      -1.614522     -1.757449      2.551196
  H      -1.386043      0.412187      1.211080
  H      -2.387423      1.206957      2.449365
  H      -5.302350     -1.499541      0.388220
  H      -6.630389     -0.758769     -1.577941
  H      -4.909708      3.231801     -2.978620
  H      -3.055631      4.746899     -2.167028
  H      -1.721098      4.035446     -0.173131
  H      -3.554906      5.577448      4.465860
  H      -4.790238      5.252629      5.686594
  H      -5.879882      5.326162      3.619134
  H      -5.876336      3.613983      4.022731
  H      -4.020918      3.187113      2.433012
  H      -3.788012      4.929179      2.171966
  H      -4.963640      6.657026      2.023635
  H      -5.967701      8.572536      0.867408
  H      -8.628283      6.970830     -2.506336
  H      -9.159338      4.651767     -3.370107
  H      -8.109152      2.684605     -2.238311
  H      -6.936230      0.707906      7.739987
  H      -6.796818      1.072454      6.000733
  H      -6.467851      3.535077      6.648484
  H      -6.939522      3.105221      8.303189
  H      -8.875766      3.986260      7.106436
  H      -9.159478      2.244027      7.400999
  H     -11.004086      3.611406      6.498219
  H     -13.025572      3.913432      5.117404
  H     -11.968051      2.759572      0.779367
  H      -9.859684      1.938790     -0.330724
  H      -7.779743      1.695857      1.045214
  N      -4.989595      1.299698      4.053201
  N      -5.636562      1.004829      3.152423
100
Coordinates from ORCA-job orca E -6483.719575773564
  N      -2.440676      0.335038      5.137600
  Mo     -3.817988      1.725536      5.561359
  N      -5.037102      1.357314      7.071081
  C      -4.485594      1.464529      8.423065
  C      -2.976396      1.244879      8.378707
  N      -2.386333      2.005113      7.242652
  C      -1.077752      1.462512      6.811874
  C      -1.295008      0.183179      6.026540
  C      -2.315336      3.459235      7.518977
  C      -2.350708      4.209213      6.199369
  N      -3.441437      3.681481      5.364807
  H      -0.367285     -0.044600      5.468467
  H      -1.452777     -0.678964      6.709140
  H      -0.617857      2.216990      6.159229
  H      -0.412624      1.303928      7.679591
  H      -2.502199      5.280876      6.414951
  H      -1.380196      4.135440      5.673276
  H      -3.214849      3.727538      8.089899
  H      -1.426870      3.699487      8.131658
  H      -4.930192      0.695375      9.084561
  H      -4.719982      2.441381      8.894283
  H      -2.774761      0.181476      8.191825
  H      -2.495816      1.531124      9.331829
  C      -2.587992     -0.829116      4.263916
  C      -1.679906     -0.761791      3.023413
  C      -2.144944      0.243670      1.988836
  O      -3.339770     -0.325486      1.397004
  C      -3.992958      0.199756      0.346775
  C      -5.066883     -0.555507     -0.117234
  C      -5.806115     -0.128236     -1.227280
  N      -5.568790      0.983760     -1.914156
  C      -4.544714      1.757217     -1.461385
  C      -4.275186      2.975445     -2.133637
  C      -3.266150      3.795968     -1.687244
  C      -2.517918      3.392923     -0.558298
  N      -2.721366      2.264182      0.099983
  C      -3.714317      1.435873     -0.329260
  C      -4.251056      4.783898      4.837423
  C      -5.236787      4.442567      3.729797
  C      -4.539831      4.135768      2.409805
  O      -5.476161      4.030864      1.313738
  C      -5.924422      5.164524      0.757384
  C      -5.600819      6.454468      1.163900
  C      -6.160761      7.557104      0.486630
  N      -6.987474      7.487208     -0.544274
  C      -7.299380      6.227730     -0.976262
  C      -8.161821      6.081081     -2.089700
  C      -8.463648      4.818796     -2.551539
  C      -7.906032      3.702718     -1.891034
  N      -7.118319      3.786796     -0.829969
  C      -6.806744      5.025763     -0.371554
  C      -6.492100      1.396386      7.018538
  C      -7.059818      2.806404      7.267218
  C      -8.522421      2.951170      6.898222
  O      -8.613934      2.734941      5.476650
  C      -9.792000      2.939617      4.860522
  C     -10.969191      3.350077      5.469951
  C     -12.127588      3.510531      4.677121
  N     -12.203438      3.294081      3.373490
  C     -11.050792      2.887107      2.759080
  C     -11.054571      2.626086      1.365266
  C      -9.894161      2.207473      0.753217
  C      -8.716788      2.066770      1.526002
  N      -8.668110      2.304178      2.826584
  C      -9.810564      2.698731      3.444282
  H      -2.349045     -1.747637      4.835342
  H      -3.632929     -0.926188      3.940401
  H      -0.654906     -0.497052      3.327981
  H      -1.625660     -1.755374      2.549497
  H      -1.394366      0.410658      1.205937
  H      -2.386017      1.212132      2.447525
  H      -5.319491     -1.483701      0.395725
  H      -6.640834     -0.745238     -1.575768
  H      -4.899971      3.231637     -2.990197
  H      -3.043288      4.743819     -2.179257
  H      -1.715770      4.035087     -0.179795
  H      -3.571132      5.573402      4.455050
  H      -4.811734      5.254763      5.672226
  H      -5.889513      5.319402      3.597495
  H      -5.892906      3.610228      4.013328
  H      -4.036628      3.164863      2.431532
  H      -3.785806      4.903532      2.167872
  H      -4.934779      6.640259      2.004449
  H      -5.901456      8.564318      0.830530
  H      -8.560332      6.984422     -2.554563
  H      -9.121579      4.669152     -3.408973
  H      -8.111590      2.692459     -2.257744
  H      -6.931557      0.696080      7.759115
  H      -6.801107      1.062145      6.019422
  H      -6.477415      3.525935      6.668628
  H      -6.941824      3.091913      8.324453
  H      -8.889383      3.962400      7.141289
  H      -9.159192      2.215719      7.421773
  H     -11.021527      3.551258      6.538520
  H     -13.050859      3.839560      5.166002
  H     -11.984870      2.761985      0.810751
  H      -9.865804      1.990994     -0.315217
  H      -7.779115      1.762566      1.052724
  N      -5.004405      1.295182      4.062439
  N      -5.653251      1.000181      3.162839
100
Coordinates from ORCA-job orca E -6483.719714781918
  N      -2.442521      0.344245      5.134861
  Mo     -3.827389      1.725373      5.566033
  N      -5.037164      1.349065      7.081501
  C      -4.479479      1.457757      8.430806
  C      -2.968927      1.248190      8.378354
  N      -2.389801      2.013899      7.240237
  C      -1.079523      1.480980      6.802851
  C      -1.291640      0.200354      6.018202
  C      -2.328372      3.468038      7.517701
  C      -2.374411      4.219301      6.199531
  N      -3.462195      3.683028      5.366553
  H      -0.364913     -0.021018      5.455978
  H      -1.440263     -0.662875      6.701499
  H      -0.627985      2.238905      6.148341
  H      -0.409157      1.326682      7.667270
  H      -2.536124      5.288986      6.417770
  H      -1.404443      4.156411      5.670834
  H      -3.227638      3.729037      8.092381
  H      -1.439361      3.714260      8.127180
  H      -4.915553      0.684508      9.093230
  H      -4.717979      2.432192      8.904997
  H      -2.761147      0.186433      8.188974
  H      -2.485311      1.536470      9.329323
  C      -2.588145     -0.822436      4.264436
  C      -1.683283     -0.757349      3.021375
  C      -2.149167      0.247474      1.986754
  O      -3.349304     -0.317481      1.401937
  C      -3.999401      0.204095      0.348013
  C      -5.076035     -0.549410     -0.112548
  C      -5.812061     -0.125991     -1.226203
  N      -5.569282      0.980784     -1.919548
  C      -4.543601      1.753527     -1.469323
  C      -4.269882      2.967704     -2.147166
  C      -3.260315      3.788498     -1.702484
  C      -2.515423      3.389548     -0.569903
  N      -2.722400      2.264299      0.093278
  C      -3.716026      1.435857     -0.334094
  C      -4.270677      4.781789      4.829564
  C      -5.250798      4.435109      3.718984
  C      -4.547587      4.119291      2.404177
  O      -5.478370      4.021213      1.302639
  C      -5.907854      5.158179      0.738738
  C      -5.569813      6.445229      1.142599
  C      -6.108378      7.552627      0.455786
  N      -6.927428      7.489792     -0.581626
  C      -7.254375      6.232867     -1.010046
  C      -8.110432      6.093505     -2.129286
  C      -8.428224      4.833610     -2.586833
  C      -7.893221      3.712738     -1.916170
  N      -7.111935      3.790149     -0.849697
  C      -6.784304      5.026709     -0.395723
  C      -6.492433      1.383848      7.034984
  C      -7.064816      2.790927      7.288877
  C      -8.529041      2.929112      6.924225
  O      -8.621293      2.726545      5.500603
  C      -9.803453      2.923055      4.889457
  C     -10.985508      3.306189      5.507326
  C     -12.147929      3.460525      4.719189
  N     -12.223162      3.262591      3.412567
  C     -11.065725      2.882982      2.789760
  C     -11.068277      2.643726      1.391978
  C      -9.902915      2.252169      0.771410
  C      -8.721893      2.117516      1.539710
  N      -8.674121      2.336488      2.843636
  C      -9.821240      2.703567      3.469658
  H      -2.345545     -1.738762      4.837930
  H      -3.633602     -0.923062      3.943699
  H      -0.656952     -0.493762      3.322348
  H      -1.632050     -1.751686      2.548740
  H      -1.401523      0.409837      1.200147
  H      -2.384178      1.217746      2.444574
  H      -5.332880     -1.473559      0.405568
  H      -6.648586     -0.741921     -1.572182
  H      -4.892257      3.220997     -3.006355
  H      -3.034563      4.733553     -2.198526
  H      -1.713070      4.032119     -0.192616
  H      -3.589650      5.570108      4.446638
  H      -4.835603      5.255977      5.659624
  H      -5.900693      5.312729      3.577403
  H      -5.910533      3.606415      4.004314
  H      -4.053533      3.144050      2.430482
  H      -3.784900      4.879407      2.165689
  H      -4.908436      6.625307      1.988110
  H      -5.837475      8.557607      0.797248
  H      -8.491689      7.000365     -2.601692
  H      -9.081952      4.689508     -3.448444
  H      -8.112104      2.703946     -2.278955
  H      -6.926567      0.680653      7.776003
  H      -6.804170      1.050396      6.036387
  H      -6.487599      3.514639      6.690206
  H      -6.944773      3.074089      8.346471
  H      -8.903385      3.935078      7.177737
  H      -9.159292      2.183851      7.441820
  H     -11.038759      3.489759      6.579043
  H     -13.075157      3.767795      5.214672
  H     -12.001620      2.774060      0.841226
  H      -9.873392      2.052463     -0.300270
  H      -7.780903      1.834464      1.059993
  N      -5.018272      1.290040      4.071894
  N      -5.669034      0.994840      3.173655
100
Coordinates from ORCA-job orca E -6483.719852938365
  N      -2.445364      0.352584      5.132099
  Mo     -3.837293      1.724736      5.570650
  N      -5.037340      1.341298      7.092263
  C      -4.473055      1.451765      8.438652
  C      -2.961323      1.251930      8.377701
  N      -2.393291      2.022495      7.237149
  C      -1.081679      1.498788      6.793021
  C      -1.289159      0.216682      6.009553
  C      -2.341042      3.476710      7.515154
  C      -2.397741      4.228572      6.198073
  N      -3.482912      3.683816      5.367106
  H      -0.363685      0.001324      5.443012
  H      -1.428640     -0.647323      6.693817
  H      -0.638556      2.259769      6.136293
  H      -0.405912      1.348976      7.653986
  H      -2.569142      5.296359      6.418477
  H      -1.428567      4.175908      5.666611
  H      -3.239872      3.730890      8.093557
  H      -1.451418      3.728973      8.121230
  H      -4.900526      0.674765      9.102328
  H      -4.715243      2.423945      8.915630
  H      -2.747748      0.191747      8.186071
  H      -2.474343      1.542468      9.326262
  C      -2.589364     -0.816546      4.264880
  C      -1.687504     -0.753307      3.019494
  C      -2.153969      0.251404      1.985243
  O      -3.359134     -0.309005      1.406702
  C      -4.005686      0.209629      0.349235
  C      -5.084671     -0.541813     -0.109158
  C      -5.816981     -0.121311     -1.226372
  N      -5.568485      0.980845     -1.925025
  C      -4.541451      1.752507     -1.476134
  C      -4.263126      2.963133     -2.158419
  C      -3.253225      3.783799     -1.714240
  C      -2.512316      3.388035     -0.577948
  N      -2.723220      2.265784      0.089076
  C      -3.717304      1.437595     -0.337649
  C      -4.290212      4.778822      4.820428
  C      -5.265039      4.426666      3.707199
  C      -4.556127      4.101418      2.397460
  O      -5.481594      4.010153      1.290694
  C      -5.892166      5.150145      0.719261
  C      -5.539709      6.434127      1.120540
  C      -6.056681      7.545926      0.424278
  N      -6.867806      7.489984     -0.619684
  C      -7.209789      6.235851     -1.044653
  C      -8.059189      6.103725     -2.169774
  C      -8.393035      4.846522     -2.623159
  C      -7.881014      3.721211     -1.942404
  N      -7.106312      3.791968     -0.870476
  C      -6.762550      5.025855     -0.420788
  C      -6.492850      1.372066      7.052169
  C      -7.069715      2.776206      7.311433
  C      -8.535480      2.907890      6.950985
  O      -8.628358      2.719353      5.525389
  C      -9.814460      2.907218      4.918956
  C     -11.001219      3.262217      5.544691
  C     -12.167540      3.409621      4.760994
  N     -12.242183      3.230136      3.451655
  C     -11.080083      2.878851      2.821009
  C     -11.081440      2.661364      1.419599
  C      -9.911194      2.298005      0.791040
  C      -8.726584      2.170564      1.555055
  N      -8.679777      2.370982      2.862077
  C      -9.831461      2.709399      3.495892
  H      -2.343167     -1.730775      4.840279
  H      -3.635292     -0.920658      3.946808
  H      -0.659896     -0.491090      3.317216
  H      -1.639240     -1.748197      2.547741
  H      -1.409072      0.409549      1.195227
  H      -2.383035      1.223226      2.442618
  H      -5.345914     -1.462379      0.413109
  H      -6.655081     -0.735909     -1.570847
  H      -4.882619      3.214218     -3.020350
  H      -3.024278      4.726433     -2.213404
  H      -1.709982      4.030702     -0.200866
  H      -3.608048      5.565758      4.436605
  H      -4.859091      5.256622      5.645715
  H      -5.911903      5.305107      3.556387
  H      -5.928510      3.601820      3.994542
  H      -4.071484      3.121808      2.428321
  H      -3.784793      4.853627      2.162152
  H      -4.883169      6.608612      1.971021
  H      -5.774191      8.548499      0.763397
  H      -8.422936      7.013832     -2.649667
  H      -9.042376      4.707931     -3.489000
  H      -8.113381      2.714166     -2.301429
  H      -6.921599      0.666038      7.793676
  H      -6.807559      1.039471      6.054155
  H      -6.497645      3.504130      6.712848
  H      -6.947650      3.056903      8.369416
  H      -8.917154      3.908387      7.215082
  H      -9.159212      2.152823      7.462287
  H     -11.055339      3.428136      6.619276
  H     -13.098616      3.694416      5.262628
  H     -12.017777      2.785250      0.872425
  H      -9.880515      2.115084     -0.283623
  H      -7.782310      1.909683      1.069276
  N      -5.032991      1.284301      4.081706
  N      -5.685838      0.988745      3.185025
100
Coordinates from ORCA-job orca E -6483.719988915368
  N      -2.448552      0.360982      5.129378
  Mo     -3.847291      1.724302      5.575090
  N      -5.037566      1.334214      7.102926
  C      -4.466663      1.446631      8.446325
  C      -2.953920      1.256472      8.376876
  N      -2.397007      2.031577      7.233824
  C      -1.084182      1.516931      6.783016
  C      -1.287104      0.233194      6.000966
  C      -2.353881      3.485858      7.512118
  C      -2.421114      4.237959      6.195981
  N      -3.503674      3.684692      5.367147
  H      -0.362956      0.023618      5.430166
  H      -1.417514     -0.631350      6.686355
  H      -0.649523      2.280760      6.123929
  H      -0.403030      1.371804      7.640507
  H      -2.601993      5.303832      6.418335
  H      -1.452861      4.195257      5.661748
  H      -3.252247      3.733390      8.094111
  H      -1.463734      3.744265      8.114804
  H      -4.885499      0.666029      9.111313
  H      -4.712443      2.416596      8.925999
  H      -2.734639      0.197859      8.183133
  H      -2.463579      1.549423      9.322957
  C      -2.591176     -0.810781      4.265671
  C      -1.692365     -0.749955      3.017915
  C      -2.159332      0.254427      1.983740
  O      -3.369554     -0.301444      1.411646
  C      -4.012648      0.213850      0.350507
  C      -5.093864     -0.535819     -0.105503
  C      -5.822632     -0.118652     -1.226290
  N      -5.568714      0.978748     -1.930453
  C      -4.540390      1.749577     -1.483188
  C      -4.257745      2.956513     -2.170201
  C      -3.247574      3.777305     -1.726859
  C      -2.510423      3.385128     -0.586899
  N      -2.725007      2.266029      0.084256
  C      -3.719484      1.437842     -0.341492
  C      -4.309913      4.775896      4.811068
  C      -5.279641      4.418564      3.695272
  C      -4.565304      4.084314      2.390487
  O      -5.485484      4.000461      1.278574
  C      -5.876728      5.143594      0.700235
  C      -5.509659      6.424036      1.099721
  C      -6.004626      7.540341      0.394694
  N      -6.807649      7.491823     -0.655833
  C      -7.164884      6.241004     -1.078119
  C      -8.007440      6.116733     -2.209207
  C      -8.357536      4.862789     -2.659226
  C      -7.868845      3.733012     -1.969089
  N      -7.100854      3.796524     -0.891698
  C      -6.740839      5.027158     -0.445496
  C      -6.493255      1.361007      7.069537
  C      -7.074632      2.762089      7.334507
  C      -8.541833      2.886975      6.978015
  O      -8.634912      2.712606      5.550585
  C      -9.824641      2.890911      4.948242
  C     -11.016252      3.216701      5.580724
  C     -12.185999      3.356012      4.800639
  N     -12.259446      3.194746      3.488832
  C     -11.092507      2.872829      2.851514
  C     -11.092018      2.676773      1.446880
  C      -9.916681      2.342590      0.811560
  C      -8.728934      2.223763      1.572133
  N      -8.683766      2.406003      2.881953
  C      -9.840207      2.714692      3.522302
  H      -2.341574     -1.722798      4.843203
  H      -3.637586     -0.918222      3.950311
  H      -0.663424     -0.489224      3.312241
  H      -1.647283     -1.745551      2.547363
  H      -1.417201      0.408026      1.190278
  H      -2.382337      1.227943      2.440348
  H      -5.359297     -1.452688      0.421124
  H      -6.662222     -0.732133     -1.569060
  H      -4.874516      3.205075     -3.034827
  H      -3.015650      4.717420     -2.229376
  H      -1.708126      4.028090     -0.210316
  H      -3.626654      5.561514      4.426419
  H      -4.882625      5.257147      5.631694
  H      -5.923396      5.297856      3.535688
  H      -5.946910      3.597487      3.984303
  H      -4.090263      3.100350      2.425458
  H      -3.785363      4.828550      2.158654
  H      -4.858074      6.592472      1.955253
  H      -5.710403      8.540103      0.732109
  H      -8.353369      7.030103     -2.696011
  H      -9.002344      4.730182     -3.529398
  H      -8.114857      2.728156     -2.324983
  H      -6.916455      0.652024      7.811462
  H      -6.811090      1.029437      6.072111
  H      -6.507742      3.494406      6.736282
  H      -6.950714      3.040145      8.392935
  H      -8.931126      3.881701      7.252682
  H      -9.158882      2.121984      7.482690
  H     -11.071700      3.364970      6.657860
  H     -13.121074      3.617458      5.307502
  H     -12.031020      2.793119      0.902599
  H      -9.884345      2.176153     -0.265750
  H      -7.781215      1.985862      1.081268
  N      -5.047728      1.278926      4.091263
  N      -5.702585      0.983383      3.195954
100
Coordinates from ORCA-job orca E -6483.720127478712
  N      -2.451507      0.369803      5.126332
  Mo     -3.857378      1.723812      5.579387
  N      -5.037785      1.326703      7.113283
  C      -4.460397      1.441132      8.453711
  C      -2.946655      1.261016      8.375836
  N      -2.401038      2.040846      7.230433
  C      -1.087002      1.535566      6.772970
  C      -1.285002      0.250313      5.992133
  C      -2.367307      3.495127      7.509151
  C      -2.445131      4.247392      6.194016
  N      -3.524849      3.685517      5.367180
  H      -0.362137      0.046809      5.417143
  H      -1.406236     -0.614831      6.678456
  H      -0.660981      2.302392      6.111724
  H      -0.400546      1.395172      7.626976
  H      -2.635588      5.311251      6.418301
  H      -1.477854      4.214776      5.657095
  H      -3.265192      3.735876      8.094713
  H      -1.476741      3.759791      8.108467
  H      -4.870434      0.656842      9.119880
  H      -4.709964      2.408775      8.936151
  H      -2.721396      0.204089      8.179850
  H      -2.453081      1.556421      9.319469
  C      -2.591898     -0.804401      4.265751
  C      -1.695864     -0.745001      3.015828
  C      -2.163546      0.259201      1.982039
  O      -3.378432     -0.292478      1.416094
  C      -4.018336      0.219502      0.351473
  C      -5.101768     -0.528424     -0.102115
  C      -5.827338     -0.114445     -1.226167
  N      -5.568302      0.978317     -1.935660
  C      -4.538581      1.748252     -1.490192
  C      -4.251736      2.951501     -2.181897
  C      -3.241125      3.772327     -1.739611
  C      -2.507551      3.383701     -0.596156
  N      -2.725741      2.267786      0.079126
  C      -3.720658      1.439604     -0.345521
  C      -4.330016      4.772750      4.801499
  C      -5.294009      4.409883      3.682813
  C      -4.573670      4.065832      2.383595
  O      -5.487951      3.989362      1.266147
  C      -5.859605      5.135172      0.680667
  C      -5.477368      6.411921      1.077649
  C      -5.950035      7.532115      0.363478
  N      -6.745300      7.490530     -0.693192
  C      -7.118498      6.243153     -1.111985
  C      -7.954792      6.126189     -2.248456
  C      -8.321821      4.875619     -2.694289
  C      -7.856654      3.742046     -1.994532
  N      -7.095044      3.798877     -0.912066
  C      -6.717984      5.026110     -0.470194
  C      -6.493668      1.348399      7.086353
  C      -7.080431      2.745804      7.358233
  C      -8.548990      2.864029      7.005243
  O      -8.642471      2.705172      5.575924
  C      -9.835738      2.875074      4.977872
  C     -11.031170      3.172418      5.617238
  C     -12.204328      3.305319      4.841163
  N     -12.277606      3.163134      3.527126
  C     -11.107005      2.869571      2.882947
  C     -11.105947      2.695617      1.475312
  C      -9.926768      2.389502      0.833002
  C      -8.735857      2.277640      1.589637
  N      -8.691094      2.441074      2.902051
  C      -9.851070      2.721077      3.549230
  H      -2.338478     -1.714233      4.845151
  H      -3.638664     -0.915695      3.952900
  H      -0.665838     -0.485289      3.307132
  H      -1.653243     -1.741069      2.546074
  H      -1.424186      0.408860      1.185300
  H      -2.380934      1.234107      2.438186
  H      -5.371171     -1.441699      0.428716
  H      -6.668482     -0.726776     -1.567113
  H      -4.865989      3.197602     -3.049030
  H      -3.006287      4.709916     -2.245471
  H      -1.705261      4.026936     -0.220136
  H      -3.645691      5.557202      4.416290
  H      -4.907048      5.257321      5.617140
  H      -5.934377      5.289981      3.513636
  H      -5.965396      3.592877      3.973450
  H      -4.108974      3.077346      2.423191
  H      -3.784634      4.801469      2.155582
  H      -4.830377      6.574630      1.937829
  H      -5.643481      8.528973      0.698470
  H      -8.282780      7.042323     -2.742413
  H      -8.962581      4.748590     -3.568283
  H      -8.116850      2.739525     -2.346652
  H      -6.910997      0.635599      7.827999
  H      -6.814247      1.018434      6.089211
  H      -6.518841      3.483414      6.761471
  H      -6.955156      3.020017      8.417463
  H      -8.945892      3.852541      7.291297
  H      -9.159325      2.088736      7.502363
  H     -11.087142      3.302504      6.696734
  H     -13.142479      3.544277      5.353388
  H     -12.047584      2.805732      0.934264
  H      -9.893763      2.239901     -0.246779
  H      -7.785715      2.061694      1.093406
  N      -5.063049      1.273363      4.101265
  N      -5.720648      0.977911      3.207850
100
Coordinates from ORCA-job orca E -6483.720263409120
  N      -2.454834      0.379065      5.123134
  Mo     -3.867144      1.724333      5.583303
  N      -5.038198      1.320696      7.122906
  C      -4.454690      1.436852      8.460493
  C      -2.940127      1.266176      8.374594
  N      -2.405194      2.050421      7.227086
  C      -1.090155      1.553913      6.763224
  C      -1.283635      0.267285      5.983449
  C      -2.380250      3.504612      7.506330
  C      -2.467804      4.256993      6.192193
  N      -3.544703      3.687151      5.367063
  H      -0.362056      0.069380      5.404518
  H      -1.396310     -0.598346      6.670621
  H      -0.672339      2.323524      6.099980
  H      -0.398679      1.417932      7.613855
  H      -2.667201      5.318882      6.418334
  H      -1.501477      4.233846      5.652855
  H      -3.277702      3.739000      8.095118
  H      -1.489411      3.775111      8.102602
  H      -4.856339      0.649004      9.127614
  H      -4.707778      2.402188      8.945747
  H      -2.709305      0.210889      8.176350
  H      -2.443479      1.563809      9.315909
  C      -2.593556     -0.797486      4.265675
  C      -1.700176     -0.740140      3.013658
  C      -2.168031      0.264043      1.980103
  O      -3.387803     -0.282915      1.420332
  C      -4.024281      0.225536      0.351984
  C      -5.110193     -0.520428     -0.098880
  C      -5.832482     -0.109855     -1.226304
  N      -5.568044      0.977881     -1.941493
  C      -4.536570      1.746671     -1.498234
  C      -4.245242      2.945894     -2.195018
  C      -3.233778      3.766499     -1.754263
  C      -2.503649      3.381508     -0.607397
  N      -2.725786      2.269136      0.072442
  C      -3.721590      1.441236     -0.350604
  C      -4.348289      4.770790      4.792031
  C      -5.306846      4.402921      3.670642
  C      -4.580932      4.048137      2.377177
  O      -5.489491      3.978980      1.254496
  C      -5.841360      5.127159      0.661950
  C      -5.443489      6.399965      1.056118
  C      -5.893761      7.523626      0.332912
  N      -6.681622      7.488789     -0.729489
  C      -7.071289      6.245127     -1.144456
  C      -7.901736      6.135334     -2.285881
  C      -8.286163      4.888441     -2.727239
  C      -7.844565      3.751540     -2.017973
  N      -7.088958      3.801811     -0.930809
  C      -6.694426      5.025346     -0.493576
  C      -6.494214      1.336749      7.102234
  C      -7.086987      2.730019      7.381613
  C      -8.556886      2.840853      7.032087
  O      -8.650860      2.697576      5.601081
  C      -9.847693      2.857980      5.007322
  C     -11.046627      3.126021      5.653164
  C     -12.223187      3.251645      4.881041
  N     -12.296546      3.128528      3.565074
  C     -11.122594      2.864139      2.914465
  C     -11.121269      2.712445      1.504189
  C      -9.938526      2.435301      0.855271
  C      -8.744496      2.331154      1.608059
  N      -8.699916      2.475575      2.922810
  C      -9.863107      2.726063      3.576369
  H      -2.336944     -1.705243      4.847008
  H      -3.640691     -0.911996      3.955201
  H      -0.668947     -0.481989      3.301971
  H      -1.660520     -1.736746      2.544822
  H      -1.431355      0.409300      1.180130
  H      -2.379348      1.240483      2.435648
  H      -5.383873     -1.429762      0.436504
  H      -6.675415     -0.720857     -1.565147
  H      -4.857093      3.189489     -3.064572
  H      -2.995765      4.701280     -2.263808
  H      -1.700934      4.024753     -0.232411
  H      -3.662545      5.553747      4.406222
  H      -4.929308      5.258896      5.602724
  H      -5.943085      5.284215      3.491751
  H      -5.983023      3.590615      3.962973
  H      -4.127252      3.054985      2.421695
  H      -3.782541      4.774559      2.152680
  H      -4.800711      6.557051      1.920551
  H      -5.574480      8.517373      0.665215
  H      -8.211695      7.053892     -2.786909
  H      -8.923165      4.766882     -3.604768
  H      -8.119234      2.751597     -2.366127
  H      -6.905424      0.619650      7.843205
  H      -6.817311      1.008688      6.105221
  H      -6.531026      3.473464      6.786789
  H      -6.960609      2.999991      8.441757
  H      -8.961825      3.822720      7.329614
  H      -9.160018      2.055043      7.521486
  H     -11.102870      3.237971      6.734714
  H     -13.164162      3.467467      5.398307
  H     -12.065515      2.815782      0.966328
  H      -9.905031      2.302717     -0.226743
  H      -7.792128      2.137999      1.106731
  N      -5.077791      1.269547      4.110500
  N      -5.738058      0.974568      3.218776
100
Coordinates from ORCA-job orca E -6483.720397453992
  N      -2.458896      0.388501      5.119786
  Mo     -3.877235      1.725209      5.587289
  N      -5.038591      1.315499      7.132878
  C      -4.448701      1.433577      8.467449
  C      -2.933460      1.272237      8.373262
  N      -2.409398      2.060529      7.223430
  C      -1.093642      1.572526      6.752894
  C      -1.282958      0.284421      5.974449
  C      -2.392979      3.514610      7.502959
  C      -2.490252      4.266752      6.189703
  N      -3.564495      3.689015      5.366534
  H      -0.362834      0.091842      5.391477
  H      -1.387120     -0.581498      6.662607
  H      -0.684209      2.344706      6.087419
  H      -0.396947      1.441081      7.599944
  H      -2.698237      5.326708      6.417484
  H      -1.525046      4.252718      5.647821
  H      -3.289849      3.742882      8.095018
  H      -1.501809      3.790934      8.096033
  H      -4.841839      0.642333      9.135666
  H      -4.705112      2.396667      8.955448
  H      -2.697231      0.218558      8.172925
  H      -2.433555      1.572274      9.312085
  C      -2.596092     -0.790410      4.265513
  C      -1.705371     -0.735024      3.011426
  C      -2.173491      0.269353      1.978357
  O      -3.398118     -0.272829      1.424786
  C      -4.031223      0.231986      0.352742
  C      -5.119256     -0.512331     -0.095717
  C      -5.838235     -0.105261     -1.226544
  N      -5.568673      0.977621     -1.947157
  C      -4.535769      1.745535     -1.505814
  C      -4.240214      2.940886     -2.207428
  C      -3.228239      3.761525     -1.767886
  C      -2.501665      3.380280     -0.617527
  N      -2.727509      2.271304      0.066635
  C      -3.723824      1.443436     -0.355160
  C      -4.366182      4.769124      4.782037
  C      -5.319471      4.396494      3.658062
  C      -4.588464      4.029854      2.370566
  O      -5.491387      3.968757      1.242769
  C      -5.822111      5.119256      0.642985
  C      -5.406998      6.387534      1.033851
  C      -5.833646      7.514491      0.301426
  N      -6.614340      7.486766     -0.766426
  C      -7.022047      6.247422     -1.177094
  C      -7.847083      6.145183     -2.323104
  C      -8.250528      4.902561     -2.759437
  C      -7.833629      3.762574     -2.040506
  N      -7.083613      3.805993     -0.949010
  C      -6.670149      5.025206     -0.516927
  C      -6.494680      1.325110      7.118846
  C      -7.094121      2.713834      7.405933
  C      -8.565193      2.816698      7.059148
  O      -8.659197      2.688858      5.626612
  C      -9.859254      2.839315      5.036523
  C     -11.061430      3.078239      5.687841
  C     -12.240935      3.196535      4.919053
  N     -12.314149      3.092423      3.601429
  C     -11.137105      2.856994      2.945379
  C     -11.135309      2.727646      1.532818
  C      -9.949273      2.479248      0.878265
  C      -8.752646      2.382516      1.627872
  N      -8.708466      2.507801      2.944704
  C      -9.874577      2.729098      3.603634
  H      -2.336333     -1.696105      4.848745
  H      -3.643591     -0.908059      3.957427
  H      -0.672938     -0.478506      3.296770
  H      -1.668687     -1.732079      2.543341
  H      -1.439630      0.410362      1.175100
  H      -2.378685      1.247216      2.433499
  H      -5.396962     -1.417876      0.443993
  H      -6.682664     -0.715175     -1.563554
  H      -4.849609      3.181903     -3.079444
  H      -2.987322      4.693675     -2.280863
  H      -1.698848      4.023767     -0.243288
  H      -3.678753      5.550283      4.395481
  H      -4.950986      5.261101      5.587657
  H      -5.950782      5.279369      3.469155
  H      -6.001120      3.589552      3.952239
  H      -4.147035      3.031641      2.420154
  H      -3.780044      4.746015      2.149518
  H      -4.768063      6.538676      1.902241
  H      -5.500391      8.504659      0.630649
  H      -8.138054      7.065989     -2.831331
  H      -8.884211      4.786757     -3.640156
  H      -8.124086      2.765672     -2.384236
  H      -6.899196      0.603411      7.859092
  H      -6.820352      0.998905      6.122015
  H      -6.543866      3.463477      6.813539
  H      -6.967227      2.979318      8.467106
  H      -8.978541      3.791633      7.367795
  H      -9.160975      2.020371      7.540542
  H     -11.118068      3.172410      6.771096
  H     -13.184520      3.389385      5.440601
  H     -12.081779      2.824556      0.997644
  H      -9.915081      2.363732     -0.205717
  H      -7.798294      2.211698      1.122205
  N      -5.093563      1.266513      4.120305
  N      -5.757204      0.972508      3.230633
100
Coordinates from ORCA-job orca E -6483.720530159454
  N      -2.463533      0.398658      5.116272
  Mo     -3.887366      1.727107      5.591166
  N      -5.038985      1.311616      7.142777
  C      -4.442732      1.431729      8.474279
  C      -2.926972      1.279434      8.371869
  N      -2.413689      2.071433      7.219693
  C      -1.097466      1.591563      6.742336
  C      -1.283005      0.301963      5.965349
  C      -2.405363      3.525366      7.499491
  C      -2.512307      4.277204      6.187134
  N      -3.584030      3.691829      5.366016
  H      -0.364430      0.114278      5.378405
  H      -1.379021     -0.564050      6.654571
  H      -0.696447      2.366118      6.074516
  H      -0.395486      1.464639      7.585676
  H      -2.728511      5.335231      6.416544
  H      -1.548377      4.272007      5.642588
  H      -3.301439      3.747795      8.094956
  H      -1.513743      3.807301      8.089221
  H      -4.827460      0.637299      9.143655
  H      -4.702291      2.392669      8.964880
  H      -2.685559      0.227316      8.169591
  H      -2.423793      1.581935      9.308147
  C      -2.599914     -0.782742      4.265499
  C      -1.712159     -0.730212      3.009091
  C      -2.180377      0.274182      1.976212
  O      -3.410368     -0.262728      1.429588
  C      -4.040272      0.238002      0.353748
  C      -5.130888     -0.504490     -0.091450
  C      -5.846858     -0.101335     -1.225615
  N      -5.572064      0.976130     -1.952329
  C      -4.537191      1.742965     -1.513823
  C      -4.237144      2.933812     -2.221140
  C      -3.224069      3.754269     -1.783782
  C      -2.500720      3.377202     -0.630031
  N      -2.730486      2.272183      0.059242
  C      -3.727897      1.444561     -0.360352
  C      -4.383881      4.768479      4.772480
  C      -5.332043      4.391396      3.645962
  C      -4.596111      4.012872      2.364575
  O      -5.493182      3.960391      1.231603
  C      -5.801930      5.113128      0.624845
  C      -5.368629      6.376261      1.012484
  C      -5.770804      7.506346      0.271002
  N      -6.544401      7.486134     -0.802136
  C      -6.971130      6.251754     -1.208538
  C      -7.790836      6.157517     -2.359020
  C      -8.214202      4.919821     -2.790385
  C      -7.822759      3.776955     -2.061975
  N      -7.078233      3.813135     -0.966292
  C      -6.645066      5.027377     -0.539280
  C      -6.495042      1.313966      7.135712
  C      -7.101806      2.697624      7.431159
  C      -8.573826      2.791801      7.086284
  O      -8.667026      2.679577      5.652367
  C      -9.869854      2.818958      5.065055
  C     -11.075398      3.027691      5.720581
  C     -12.257290      3.137525      4.954208
  N     -12.329688      3.052212      3.635186
  C     -11.149404      2.846679      2.974983
  C     -11.146532      2.739246      1.560561
  C      -9.957083      2.520248      0.901655
  C      -8.758392      2.432115      1.649003
  N      -8.715208      2.538745      2.967627
  C      -9.884361      2.730175      3.630600
  H      -2.337423     -1.686356      4.850809
  H      -3.647894     -0.902973      3.960020
  H      -0.678330     -0.475719      3.291058
  H      -1.679075     -1.727911      2.542151
  H      -1.449582      0.410133      1.169349
  H      -2.378703      1.253774      2.430541
  H      -5.412779     -1.405762      0.453215
  H      -6.693176     -0.709992     -1.560091
  H      -4.844364      3.171978     -3.095474
  H      -2.980081      4.683351     -2.300842
  H      -1.697318      4.020790     -0.257332
  H      -3.694794      5.547910      4.385272
  H      -4.972363      5.264139      5.573151
  H      -5.958128      5.275959      3.447211
  H      -6.019424      3.589946      3.941700
  H      -4.167507      3.009545      2.419028
  H      -3.777510      4.718385      2.147315
  H      -4.733320      6.521087      1.884667
  H      -5.422805      8.492440      0.597156
  H      -8.062119      7.080389     -2.874330
  H      -8.844631      4.810147     -3.674245
  H      -8.129624      2.783587     -2.401337
  H      -6.892242      0.587143      7.874960
  H      -6.823372      0.989877      6.139020
  H      -6.557333      3.454011      6.841950
  H      -6.975092      2.958097      8.493551
  H      -8.996255      3.759305      7.405918
  H      -9.161977      1.984674      7.559050
  H     -11.132947      3.104112      6.805218
  H     -13.203607      3.306550      5.479035
  H     -12.094899      2.828809      1.027434
  H      -9.921689      2.421339     -0.183971
  H      -7.802041      2.283555      1.140015
  N      -5.109654      1.265119      4.130059
  N      -5.776936      0.972628      3.242470
100
Coordinates from ORCA-job orca E -6483.720662456547
  N      -2.468389      0.409324      5.112549
  Mo     -3.897612      1.729380      5.595079
  N      -5.039160      1.308076      7.152822
  C      -4.436407      1.430552      8.481135
  C      -2.920183      1.287468      8.370365
  N      -2.417947      2.082984      7.215705
  C      -1.101447      1.611279      6.731226
  C      -1.283286      0.320114      5.955920
  C      -2.417650      3.536738      7.495683
  C      -2.534603      4.288125      6.184255
  N      -3.603859      3.695036      5.365391
  H      -0.366354      0.137212      5.364957
  H      -1.371133     -0.545850      6.646287
  H      -0.709218      2.388124      6.060867
  H      -0.393941      1.489113      7.570616
  H      -2.759008      5.344158      6.415303
  H      -1.572145      4.291826      5.636848
  H      -3.312700      3.753364      8.094809
  H      -1.525455      3.824317      8.081786
  H      -4.812528      0.633052      9.151800
  H      -4.699154      2.389377      8.974207
  H      -2.673515      0.236925      8.166311
  H      -2.413679      1.592683      9.303964
  C      -2.603982     -0.774657      4.265449
  C      -1.719543     -0.724807      3.006516
  C      -2.188370      0.279611      1.974102
  O      -3.423940     -0.251973      1.435055
  C      -4.050980      0.244484      0.355591
  C      -5.144200     -0.496250     -0.086140
  C      -5.857333     -0.097156     -1.223564
  N      -5.577408      0.974757     -1.956500
  C      -4.540554      1.740589     -1.521004
  C      -4.236037      2.926768     -2.234204
  C      -3.221887      3.747134     -1.799147
  C      -2.501816      3.374529     -0.641912
  N      -2.735433      2.273589      0.052586
  C      -3.733849      1.446094     -0.364742
  C      -4.401857      4.768175      4.762864
  C      -5.344963      4.386584      3.633958
  C      -4.604382      3.995021      2.359036
  O      -5.495402      3.951976      1.220806
  C      -5.780659      5.106763      0.606890
  C      -5.327309      6.363959      0.990752
  C      -5.703587      7.496895      0.239984
  N      -6.470387      7.484651     -0.838103
  C      -6.918005      6.256054     -1.239680
  C      -7.732827      6.170357     -2.394261
  C      -8.177918      4.938426     -2.820129
  C      -7.813273      3.792988     -2.082120
  N      -7.073921      3.821426     -0.982506
  C      -6.619322      5.029906     -0.561100
  C      -6.495109      1.302467      7.152894
  C      -7.109749      2.680660      7.457004
  C      -8.582468      2.765955      7.112994
  O      -8.674251      2.669906      5.677773
  C      -9.879472      2.797792      5.092534
  C     -11.088181      2.975676      5.751417
  C     -12.272092      3.076660      4.986954
  N     -12.343542      3.010290      3.666798
  C     -11.160264      2.835165      3.003262
  C     -11.156340      2.749514      1.587335
  C      -9.963791      2.560088      0.924838
  C      -8.763337      2.481100      1.670347
  N      -8.721141      2.569382      2.990488
  C      -9.893041      2.730557      3.656779
  H      -2.338503     -1.676123      4.852791
  H      -3.652497     -0.897600      3.962842
  H      -0.684303     -0.472145      3.284819
  H      -1.689993     -1.723102      2.540654
  H      -1.461106      0.410530      1.163285
  H      -2.379587      1.260870      2.427736
  H      -5.430139     -1.393190      0.463539
  H      -6.705560     -0.704591     -1.555358
  H      -4.841086      3.161905     -3.110883
  H      -2.974890      4.673070     -2.320394
  H      -1.697928      4.018340     -0.270783
  H      -3.711113      5.545803      4.374851
  H      -4.993908      5.267619      5.558542
  H      -5.965140      5.273042      3.424795
  H      -6.038628      3.591292      3.931503
  H      -4.189908      2.986262      2.418496
  H      -3.774918      4.688764      2.145712
  H      -4.695193      6.502062      1.866413
  H      -5.339360      8.478275      0.562587
  H      -7.983264      7.095044     -2.916813
  H      -8.805498      4.835314     -3.706836
  H      -8.137924      2.803822     -2.416806
  H      -6.884551      0.570203      7.890950
  H      -6.826071      0.980596      6.156319
  H      -6.570912      3.444159      6.871723
  H      -6.983969      2.935614      8.520797
  H      -9.014301      3.725616      7.443613
  H      -9.163016      1.947918      7.576364
  H     -11.146764      3.034183      6.837154
  H     -13.220950      3.221405      5.514419
  H     -12.106408      2.831502      1.055973
  H      -9.927174      2.477550     -0.162160
  H      -7.805221      2.354681      1.158561
  N      -5.126447      1.264099      4.140412
  N      -5.797997      0.973164      3.255396
100
Coordinates from ORCA-job orca E -6483.720794389280
  N      -2.473703      0.420552      5.108695
  Mo     -3.907539      1.732946      5.598435
  N      -5.039362      1.306422      7.162134
  C      -4.430393      1.431464      8.487313
  C      -2.913876      1.296801      8.368589
  N      -2.422127      2.095271      7.211485
  C      -1.105618      1.631000      6.719994
  C      -1.284311      0.338217      5.946592
  C      -2.428963      3.548844      7.491593
  C      -2.555734      4.299772      6.181115
  N      -3.622743      3.699403      5.364584
  H      -0.369090      0.159373      5.351791
  H      -1.364695     -0.527432      6.638249
  H      -0.721950      2.409780      6.046950
  H      -0.392682      1.513523      7.555428
  H      -2.787864      5.353847      6.413797
  H      -1.594900      4.311960      5.630728
  H      -3.322642      3.760266      8.094604
  H      -1.535937      3.841563      8.073848
  H      -4.798406      0.631381      9.159441
  H      -4.695967      2.388475      8.982421
  H      -2.662447      0.247689      8.163056
  H      -2.404140      1.604706      9.299541
  C      -2.609586     -0.766147      4.265674
  C      -1.728567     -0.720508      3.004102
  C      -2.197073      0.283732      1.971466
  O      -3.438905     -0.241392      1.440596
  C      -4.063113      0.250835      0.357533
  C      -5.160192     -0.486977     -0.079493
  C      -5.870914     -0.091722     -1.219797
  N      -5.585127      0.973785     -1.959759
  C      -4.544896      1.737457     -1.528631
  C      -4.234925      2.918040     -2.248715
  C      -3.218200      3.737195     -1.817394
  C      -2.500909      3.368891     -0.657077
  N      -2.739282      2.272855      0.043577
  C      -3.740202      1.446559     -0.370074
  C      -4.419127      4.769145      4.753766
  C      -5.357408      4.383068      3.622687
  C      -4.612195      3.978905      2.354331
  O      -5.496737      3.945247      1.210682
  C      -5.758647      5.101816      0.590188
  C      -5.284973      6.352555      0.970433
  C      -5.635292      7.487945      0.210773
  N      -6.395544      7.483781     -0.871963
  C      -6.864405      6.261541     -1.268826
  C      -7.674559      6.184532     -2.427266
  C      -8.141571      4.958937     -2.847830
  C      -7.803705      3.811326     -2.100646
  N      -7.069360      3.831933     -0.997319
  C      -6.593143      5.034065     -0.581337
  C      -6.495083      1.292122      7.169373
  C      -7.118267      2.664302      7.482714
  C      -8.591617      2.739734      7.139404
  O      -8.681741      2.660328      5.703072
  C      -9.889032      2.775193      5.119324
  C     -11.100887      2.920158      5.780580
  C     -12.286442      3.010592      5.017380
  N     -12.356579      2.963148      3.696347
  C     -11.170300      2.820348      3.030497
  C     -11.165034      2.756215      1.613445
  C      -9.969349      2.598145      0.948302
  C      -8.767454      2.530490      1.692625
  N      -8.726579      2.600832      3.014018
  C      -9.901250      2.729769      3.682623
  H      -2.341997     -1.665498      4.855364
  H      -3.658769     -0.890832      3.966041
  H      -0.691662     -0.470506      3.278481
  H      -1.703567     -1.719728      2.539992
  H      -1.473339      0.408208      1.156550
  H      -2.380015      1.267158      2.423677
  H      -5.450909     -1.378818      0.475943
  H      -6.722119     -0.696985     -1.547856
  H      -4.838278      3.150397     -3.127323
  H      -2.967404      4.659266     -2.343642
  H      -1.695297      4.012052     -0.288689
  H      -3.726946      5.545155      4.364944
  H      -5.014564      5.271990      5.544764
  H      -5.971923      5.271151      3.403387
  H      -6.057121      3.593714      3.921895
  H      -4.211774      2.964994      2.418602
  H      -3.772215      4.660993      2.145274
  H      -4.655734      6.483763      1.849304
  H      -5.254531      8.464169      0.529881
  H      -7.904123      7.110657     -2.956804
  H      -8.766422      4.862602     -3.737266
  H      -8.146137      2.826796     -2.430896
  H      -6.876265      0.553979      7.905923
  H      -6.828664      0.972680      6.172859
  H      -6.585540      3.435409      6.901750
  H      -6.993690      2.913446      8.547973
  H      -9.033639      3.690778      7.481316
  H      -9.163802      1.910243      7.592750
  H     -11.160762      2.960348      6.867122
  H     -13.237855      3.129480      5.546674
  H     -12.116656      2.828926      1.083468
  H      -9.931238      2.531681     -0.139787
  H      -7.807516      2.427517      1.178761
  N      -5.142943      1.264823      4.150139
  N      -5.818842      0.975835      3.267654
100
Coordinates from ORCA-job orca E -6483.720923671262
  N      -2.478598      0.432034      5.104792
  Mo     -3.917254      1.736422      5.601823
  N      -5.039124      1.304568      7.171452
  C      -4.423938      1.432709      8.493427
  C      -2.907118      1.306865      8.366744
  N      -2.426103      2.108120      7.207032
  C      -1.109651      1.651508      6.708387
  C      -1.284938      0.356991      5.937127
  C      -2.440236      3.561481      7.487076
  C      -2.577112      4.311682      6.177547
  N      -3.641753      3.703745      5.363488
  H      -0.371437      0.182355      5.338479
  H      -1.357612     -0.508250      6.630135
  H      -0.734967      2.432166      6.032477
  H      -0.391108      1.539119      7.539685
  H      -2.817192      5.363693      6.411828
  H      -1.618037      4.332574      5.624104
  H      -3.332403      3.767636      8.094121
  H      -1.546348      3.859532      8.065264
  H      -4.783614      0.630158      9.167174
  H      -4.692569      2.387943      8.990350
  H      -2.650675      0.259221      8.159989
  H      -2.394240      1.617844      9.294945
  C      -2.614239     -0.757482      4.265940
  C      -1.736858     -0.715203      3.001655
  C      -2.206016      0.288885      1.969339
  O      -3.453999     -0.230251      1.447172
  C      -4.076004      0.257586      0.360876
  C      -5.176367     -0.477952     -0.071682
  C      -5.884933     -0.086763     -1.214771
  N      -5.594025      0.972667     -1.961430
  C      -4.551089      1.734862     -1.534316
  C      -4.236528      2.910265     -2.260841
  C      -3.218012      3.728917     -1.832775
  C      -2.503512      3.365256     -0.669286
  N      -2.745822      2.273754      0.037072
  C      -3.748356      1.447917     -0.373441
  C      -4.436244      4.770026      4.744058
  C      -5.370043      4.379259      3.611285
  C      -4.621091      3.960333      2.349809
  O      -5.499305      3.937230      1.200903
  C      -5.735613      5.095358      0.573427
  C      -5.238858      6.338427      0.949232
  C      -5.561206      7.475996      0.180384
  N      -6.315391      7.480754     -0.906543
  C      -6.808224      6.266137     -1.297890
  C      -7.614520      6.198801     -2.459583
  C      -8.106181      4.980822     -2.874024
  C      -7.796983      3.831372     -2.117510
  N      -7.067048      3.843231     -1.010905
  C      -6.566571      5.037777     -0.601180
  C      -6.494550      1.281095      7.185664
  C      -7.126667      2.647111      7.507682
  C      -8.600458      2.712752      7.164235
  O      -8.688851      2.650526      5.726909
  C      -9.898015      2.752246      5.144363
  C     -11.112380      2.863913      5.807610
  C     -12.299482      2.943727      5.045656
  N     -12.368824      2.915495      3.724047
  C     -11.180224      2.805378      3.056209
  C     -11.174276      2.762954      1.638332
  C      -9.976166      2.636424      0.970790
  C      -8.772918      2.580398      1.713870
  N      -8.732800      2.632760      3.036256
  C      -9.909492      2.728979      3.706982
  H      -2.343895     -1.654588      4.857850
  H      -3.664047     -0.884523      3.969436
  H      -0.698442     -0.467191      3.272001
  H      -1.715750     -1.715170      2.538997
  H      -1.486379      0.407543      1.150007
  H      -2.380954      1.274185      2.420485
  H      -5.471159     -1.365053      0.489165
  H      -6.738635     -0.690364     -1.539328
  H      -4.838215      3.139580     -3.141417
  H      -2.964125      4.647486     -2.363633
  H      -1.696938      4.008397     -0.303133
  H      -3.742446      5.543993      4.353895
  H      -5.034686      5.276821      5.530255
  H      -5.977828      5.269301      3.380877
  H      -6.076586      3.597060      3.913074
  H      -4.236670      2.940791      2.419169
  H      -3.769548      4.628927      2.144736
  H      -4.611961      6.462046      1.830953
  H      -5.161790      8.446075      0.495371
  H      -7.821609      7.126086     -2.996305
  H      -8.729052      4.892011     -3.765669
  H      -8.159404      2.852494     -2.442806
  H      -6.867335      0.537235      7.920804
  H      -6.830520      0.963694      6.189275
  H      -6.599890      3.425753      6.931229
  H      -7.003824      2.890483      8.574423
  H      -9.052667      3.654890      7.517373
  H      -9.164385      1.871967      7.607050
  H     -11.173139      2.885616      6.894684
  H     -13.252904      3.036482      5.576533
  H     -12.127391      2.826513      1.109810
  H      -9.937013      2.586155     -0.118172
  H      -7.811632      2.501213      1.198019
  N      -5.159768      1.265015      4.160600
  N      -5.840764      0.977658      3.281360
100
Coordinates from ORCA-job orca E -6483.721051630268
  N      -2.484483      0.444304      5.100653
  Mo     -3.926480      1.742231      5.604318
  N      -5.038961      1.306279      7.179702
  C      -4.418021      1.438015      8.498575
  C      -2.901117      1.319211      8.364654
  N      -2.429684      2.122119      7.202244
  C      -1.113809      1.671441      6.696679
  C      -1.286996      0.375174      5.927865
  C      -2.449105      3.575367      7.482000
  C      -2.595825      4.324740      6.173379
  N      -3.658815      3.710216      5.362173
  H      -0.375339      0.203373      5.325636
  H      -1.353364     -0.489295      6.622435
  H      -0.747326      2.453331      6.017728
  H      -0.389908      1.563681      7.523909
  H      -2.842663      5.374954      6.409073
  H      -1.638776      4.353181      5.616531
  H      -3.338944      3.777650      8.093736
  H      -1.553597      3.877674      8.055415
  H      -4.770475      0.634074      9.174507
  H      -4.688878      2.392240      8.996243
  H      -2.640699      0.272671      8.157315
  H      -2.385142      1.633164      9.290134
  C      -2.621824     -0.748198      4.266540
  C      -1.747921     -0.712193      2.999512
  C      -2.215523      0.291172      1.965841
  O      -3.470577     -0.219968      1.452798
  C      -4.090062      0.264105      0.363276
  C      -5.196029     -0.466583     -0.063122
  C      -5.902823     -0.078424     -1.208374
  N      -5.605095      0.973620     -1.962715
  C      -4.556809      1.731737     -1.541575
  C      -4.235379      2.900413     -2.275900
  C      -3.212109      3.715940     -1.853260
  C      -2.499778      3.355921     -0.687343
  N      -2.748179      2.270326      0.026028
  C      -3.755287      1.447452     -0.379226
  C      -4.451999      4.773302      4.735497
  C      -5.381602      4.377820      3.601300
  C      -4.628420      3.945854      2.346745
  O      -5.499320      3.932231      1.192079
  C      -5.711768      5.091496      0.558647
  C      -5.193043      6.326673      0.930461
  C      -5.488438      7.465705      0.152927
  N      -6.236735      7.478933     -0.937969
  C      -6.752677      6.272215     -1.324095
  C      -7.555207      6.213971     -2.488879
  C      -8.070408      5.003783     -2.897540
  C      -7.788782      3.853175     -2.132146
  N      -7.063169      3.857046     -1.022484
  C      -6.539432      5.043689     -0.618684
  C      -6.493898      1.271429      7.200863
  C      -7.136649      2.630011      7.532925
  C      -8.610782      2.684111      7.189028
  O      -8.697148      2.640265      5.750911
  C      -9.907801      2.726984      5.169036
  C     -11.124356      2.803263      5.833327
  C     -12.312633      2.870820      5.072124
  N     -12.381083      2.861741      3.750241
  C     -11.190442      2.786117      3.081352
  C     -11.183838      2.765041      1.663049
  C      -9.983532      2.672002      0.993898
  C      -8.779282      2.629802      1.736285
  N      -8.739946      2.664545      3.059427
  C      -9.918393      2.726117      3.731368
  H      -2.350601     -1.643220      4.861246
  H      -3.672473     -0.875633      3.973104
  H      -0.707631     -0.467639      3.265684
  H      -1.732370     -1.713560      2.539694
  H      -1.499524      0.401257      1.142201
  H      -2.380548      1.279336      2.414246
  H      -5.496562     -1.347686      0.504099
  H      -6.761015     -0.678266     -1.527963
  H      -4.836077      3.127719     -3.157695
  H      -2.953308      4.629796     -2.389837
  H      -1.689864      3.997033     -0.325164
  H      -3.757049      5.545683      4.344087
  H      -5.053210      5.283263      5.517510
  H      -5.983769      5.269086      3.360603
  H      -6.094033      3.601763      3.905263
  H      -4.258850      2.921420      2.420868
  H      -3.766396      4.602064      2.146288
  H      -4.568332      6.442909      1.814837
  H      -5.071040      8.429448      0.463983
  H      -7.740748      7.141777     -3.032526
  H      -8.691232      4.922249     -3.791351
  H      -8.170248      2.880103     -2.452649
  H      -6.857055      0.520706      7.933868
  H      -6.832092      0.956472      6.204431
  H      -6.616862      3.417393      6.961929
  H      -7.016133      2.866748      8.601369
  H      -9.074626      3.615927      7.554261
  H      -9.165034      1.830792      7.619956
  H     -11.186004      2.806000      6.920580
  H     -13.267852      2.935983      5.603845
  H     -12.138341      2.817389      1.135763
  H      -9.943270      2.637578     -0.095678
  H      -7.816892      2.575505      1.218982
  N      -5.176652      1.268417      4.170450
  N      -5.863244      0.983373      3.294636
100
Coordinates from ORCA-job orca E -6483.721177947928
  N      -2.489740      0.456903      5.096417
  Mo     -3.935283      1.747895      5.607006
  N      -5.037996      1.307840      7.188183
  C      -4.411384      1.444208      8.503876
  C      -2.894322      1.333113      8.362852
  N      -2.432827      2.137211      7.197280
  C      -1.117638      1.692512      6.684568
  C      -1.288457      0.394317      5.918513
  C      -2.457695      3.590365      7.476134
  C      -2.614478      4.338180      6.168247
  N      -3.675802      3.716774      5.360266
  H      -0.378582      0.225548      5.312769
  H      -1.348221     -0.469268      6.614754
  H      -0.759729      2.475523      6.002352
  H      -0.388131      1.589764      7.507482
  H      -2.867989      5.386660      6.404976
  H      -1.659573      4.373954      5.607909
  H      -3.344994      3.788820      8.092767
  H      -1.560449      3.897299      8.044320
  H      -4.756346      0.639151      9.182380
  H      -4.684915      2.397600      9.001701
  H      -2.629424      0.287683      8.155583
  H      -2.375459      1.650827      9.285426
  C      -2.627999     -0.738884      4.267344
  C      -1.757844     -0.708006      2.997474
  C      -2.225609      0.294830      1.963523
  O      -3.487750     -0.209098      1.460836
  C      -4.106294      0.270829      0.368860
  C      -5.216100     -0.457215     -0.051985
  C      -5.921770     -0.073018     -1.199337
  N      -5.619485      0.972697     -1.960602
  C      -4.567942      1.729065     -1.544505
  C      -4.242468      2.892405     -2.285487
  C      -3.216877      3.707174     -1.867003
  C      -2.506490      3.351854     -0.698488
  N      -2.758336      2.270940      0.020748
  C      -3.767401      1.448649     -0.380587
  C      -4.467004      4.776776      4.725791
  C      -5.392944      4.377167      3.590564
  C      -4.637031      3.928267      2.343568
  O      -5.500858      3.926683      1.183399
  C      -5.685040      5.086823      0.543074
  C      -5.139311      6.311865      0.909375
  C      -5.403899      7.451992      0.122320
  N      -6.147015      7.475374     -0.971940
  C      -6.691193      6.278864     -1.351190
  C      -7.491434      6.231584     -2.518042
  C      -8.035510      5.031490     -2.918982
  C      -7.785265      3.880248     -2.143831
  N      -7.062745      3.874483     -1.031969
  C      -6.510567      5.050925     -0.636138
  C      -6.492288      1.259721      7.216125
  C      -7.146783      2.610351      7.557882
  C      -8.620604      2.653729      7.210689
  O      -8.703742      2.629308      5.771837
  C      -9.915581      2.700832      5.190028
  C     -11.133380      2.743159      5.855054
  C     -12.322844      2.798679      5.094818
  N     -12.391284      2.807813      3.773018
  C     -11.199577      2.765137      3.103228
  C     -11.193447      2.764104      1.684824
  C      -9.992048      2.702547      1.014093
  C      -8.786849      2.673745      1.755469
  N      -8.747215      2.692289      3.079108
  C      -9.926280      2.721024      3.752321
  H      -2.355199     -1.631608      4.864812
  H      -3.679389     -0.867450      3.976976
  H      -0.715891     -0.465889      3.259234
  H      -1.746861     -1.710470      2.539960
  H      -1.514402      0.397266      1.134807
  H      -2.380868      1.285422      2.409787
  H      -5.520279     -1.333446      0.520807
  H      -6.782886     -0.670917     -1.514623
  H      -4.842355      3.116832     -3.168604
  H      -2.955468      4.617516     -2.408258
  H      -1.695481      3.992990     -0.339000
  H      -3.770248      5.546710      4.332579
  H      -5.070314      5.290986      5.503376
  H      -5.986907      5.270799      3.338002
  H      -6.113354      3.609802      3.897747
  H      -4.286207      2.897852      2.422847
  H      -3.762279      4.568478      2.147447
  H      -4.516020      6.419348      1.795923
  H      -4.964689      8.407641      0.428250
  H      -7.652213      7.159521     -3.069300
  H      -8.655645      4.958582     -3.814048
  H      -8.190433      2.914788     -2.457796
  H      -6.845042      0.501881      7.946915
  H      -6.832307      0.946736      6.219693
  H      -6.633003      3.406761      6.993844
  H      -7.030626      2.839494      8.628397
  H      -9.096066      3.575062      7.587492
  H      -9.166116      1.788271      7.628416
  H     -11.195221      2.728102      6.942175
  H     -13.279026      2.837463      5.627351
  H     -12.149342      2.805970      1.159080
  H      -9.951425      2.683029     -0.075879
  H      -7.824250      2.642706      1.236443
  N      -5.194320      1.271587      4.181650
  N      -5.887855      0.988541      3.310445
100
Coordinates from ORCA-job orca E -6483.721298824361
  N      -2.499098      0.469389      5.091781
  Mo     -3.944753      1.757200      5.608619
  N      -5.037700      1.316020      7.196276
  C      -4.404862      1.457466      8.508403
  C      -2.888066      1.350296      8.360065
  N      -2.435000      2.153330      7.190647
  C      -1.121901      1.710943      6.670377
  C      -1.293919      0.410611      5.908363
  C      -2.461078      3.606739      7.467762
  C      -2.627860      4.352585      6.160260
  N      -3.689920      3.726414      5.357086
  H      -0.386639      0.241895      5.298752
  H      -1.349193     -0.451263      6.607050
  H      -0.771291      2.493594      5.983988
  H      -0.386577      1.612301      7.488597
  H      -2.885107      5.400129      6.397465
  H      -1.675784      4.392770      5.595198
  H      -3.344098      3.804353      8.090761
  H      -1.560348      3.916205      8.028980
  H      -4.743967      0.653221      9.190813
  H      -4.678800      2.411453      9.004833
  H      -2.621197      0.305156      8.153831
  H      -2.365388      1.671382      9.279315
  C      -2.642647     -0.729989      4.269028
  C      -1.775970     -0.709449      2.996468
  C      -2.239120      0.292408      1.959485
  O      -3.509580     -0.199971      1.466287
  C      -4.124376      0.278335      0.371356
  C      -5.241982     -0.440954     -0.043686
  C      -5.944726     -0.056915     -1.192952
  N      -5.632500      0.980714     -1.961194
  C      -4.573025      1.729110     -1.550848
  C      -4.236825      2.884749     -2.299075
  C      -3.203320      3.692243     -1.885984
  C      -2.495969      3.337478     -0.715482
  N      -2.757610      2.263268      0.010316
  C      -3.774436      1.448025     -0.385794
  C      -4.480227      4.783943      4.717204
  C      -5.403444      4.380496      3.581440
  C      -4.644262      3.918454      2.341257
  O      -5.499768      3.926401      1.174837
  C      -5.660508      5.086830      0.529108
  C      -5.092188      6.302760      0.890967
  C      -5.329404      7.442796      0.095121
  N      -6.066894      7.474366     -1.002724
  C      -6.635327      6.287253     -1.376001
  C      -7.432334      6.248923     -2.545393
  C      -8.001134      5.058108     -2.939707
  C      -7.779170      3.907202     -2.155384
  N      -7.060185      3.893783     -1.041139
  C      -6.483548      5.060772     -0.652052
  C      -6.491027      1.252032      7.232278
  C      -7.159652      2.592592      7.586301
  C      -8.633220      2.621841      7.236320
  O      -8.712915      2.617727      5.797037
  C      -9.924996      2.670926      5.213803
  C     -11.144321      2.677069      5.877308
  C     -12.333723      2.717754      5.116197
  N     -12.400614      2.744035      3.794636
  C     -11.207437      2.736304      3.126226
  C     -11.200139      2.754174      1.708066
  C      -9.997110      2.726679      1.037927
  C      -8.792269      2.714349      1.780354
  N      -8.754009      2.717550      3.104296
  C      -9.934128      2.711329      3.776455
  H      -2.371711     -1.620832      4.870172
  H      -3.695261     -0.855837      3.981826
  H      -0.731606     -0.473149      3.253921
  H      -1.773051     -1.713990      2.543418
  H      -1.531236      0.382469      1.126509
  H      -2.381301      1.287001      2.400976
  H      -5.554610     -1.310351      0.534945
  H      -6.812231     -0.647937     -1.503614
  H      -4.835294      3.109852     -3.183007
  H      -2.933844      4.597005     -2.432605
  H      -1.679109      3.973298     -0.359953
  H      -3.782381      5.552003      4.322109
  H      -5.084777      5.301407      5.491606
  H      -5.991457      5.275394      3.319303
  H      -6.129906      3.619747      3.891125
  H      -4.309226      2.883351      2.424922
  H      -3.759045      4.545432      2.150065
  H      -4.470737      6.402843      1.779721
  H      -4.871528      8.391067      0.396591
  H      -7.571043      7.176073     -3.103917
  H      -8.619609      4.992629     -3.836538
  H      -8.204670      2.948818     -2.463751
  H      -6.830941      0.485389      7.959955
  H      -6.833550      0.941775      6.235873
  H      -6.654071      3.399880      7.030340
  H      -7.048062      2.813053      8.659066
  H      -9.122627      3.530524      7.625737
  H      -9.167245      1.742394      7.639439
  H     -11.207431      2.644562      6.963920
  H     -13.291187      2.728505      5.647718
  H     -12.156657      2.782489      1.182532
  H      -9.954762      2.721401     -0.052171
  H      -7.829024      2.708447      1.261413
  N      -5.213630      1.279484      4.192467
  N      -5.914115      0.998553      3.325997
100
Coordinates from ORCA-job orca E -6483.721413697182
  N      -2.507115      0.481969      5.087580
  Mo     -3.953409      1.765903      5.610241
  N      -5.037633      1.322758      7.203351
  C      -4.399665      1.468995      8.512416
  C      -2.883074      1.366975      8.357929
  N      -2.438064      2.169419      7.185128
  C      -1.126516      1.730024      6.657927
  C      -1.298474      0.427597      5.899407
  C      -2.466446      3.622942      7.460599
  C      -2.641722      4.366837      6.153393
  N      -3.703475      3.735668      5.353926
  H      -0.393244      0.259700      5.286532
  H      -1.349049     -0.432817      6.600228
  H      -0.783164      2.512580      5.967780
  H      -0.385785      1.635646      7.471775
  H      -2.903054      5.413360      6.390956
  H      -1.691863      4.411623      5.584719
  H      -3.346162      3.818981      8.088728
  H      -1.563205      3.935399      8.016071
  H      -4.732960      0.664983      9.197967
  H      -4.675076      2.423114      9.007773
  H      -2.613347      0.322348      8.152766
  H      -2.357605      1.691659      9.274320
  C      -2.654875     -0.720723      4.270596
  C      -1.791610     -0.708706      2.995524
  C      -2.251711      0.293568      1.957467
  O      -3.530708     -0.187629      1.475122
  C      -4.144693      0.287395      0.378023
  C      -5.267517     -0.427648     -0.030074
  C      -5.969888     -0.047043     -1.180789
  N      -5.652686      0.983391     -1.956524
  C      -4.588452      1.728576     -1.552696
  C      -4.247621      2.878023     -2.308348
  C      -3.209923      3.683159     -1.901194
  C      -2.503254      3.332398     -0.729097
  N      -2.768986      2.263683      0.003342
  C      -3.789740      1.450591     -0.386995
  C      -4.491425      4.790862      4.707293
  C      -5.411477      4.384548      3.570306
  C      -4.650120      3.906111      2.337742
  O      -5.498038      3.925812      1.165821
  C      -5.630799      5.086073      0.513612
  C      -5.034851      6.290423      0.869420
  C      -5.240783      7.429769      0.063923
  N      -5.973184      7.471149     -1.037023
  C      -6.571020      6.296079     -1.402526
  C      -7.366148      6.268678     -2.573467
  C      -7.965420      5.089938     -2.958820
  C      -7.775911      3.940411     -2.163942
  N      -7.059229      3.917408     -1.048321
  C      -6.452579      5.072140     -0.668468
  C      -6.489751      1.242778      7.247099
  C      -7.172003      2.573282      7.613590
  C      -8.644728      2.590443      7.259059
  O      -8.720257      2.607176      5.819660
  C      -9.932127      2.641369      5.234479
  C     -11.152190      2.612102      5.895981
  C     -12.341266      2.636531      5.133759
  N     -12.406965      2.678093      3.812618
  C     -11.213017      2.704693      3.146074
  C     -11.204942      2.739232      1.728360
  C     -10.000999      2.744562      1.059336
  C      -8.796940      2.750159      1.803077
  N      -8.759695      2.740181      3.127152
  C      -9.940120      2.699956      3.797750
  H      -2.385450     -1.609794      4.875064
  H      -3.708445     -0.844333      3.985890
  H      -0.744945     -0.478003      3.248724
  H      -1.796250     -1.714600      2.545517
  H      -1.548544      0.372802      1.119398
  H      -2.380716      1.291289      2.395679
  H      -5.584341     -1.291397      0.554691
  H      -6.841352     -0.634999     -1.486126
  H      -4.846273      3.100930     -3.192747
  H      -2.937196      4.583661     -2.453210
  H      -1.683619      3.966968     -0.377792
  H      -3.791270      5.556142      4.310706
  H      -5.097372      5.312634      5.477650
  H      -5.990713      5.281998      3.297231
  H      -6.146348      3.632686      3.882381
  H      -4.333821      2.865635      2.426170
  H      -3.752863      4.516901      2.151023
  H      -4.414403      6.381745      1.759812
  H      -4.760439      8.368670      0.359727
  H      -7.479286      7.194367     -3.140133
  H      -8.583645      5.033262     -3.856461
  H      -8.226970      2.991210     -2.464239
  H      -6.816926      0.467437      7.971381
  H      -6.834642      0.935393      6.250648
  H      -6.673239      3.391288      7.067146
  H      -7.066047      2.783762      8.688876
  H      -9.147118      3.486869      7.660242
  H      -9.168644      1.698246      7.647196
  H     -11.216157      2.563836      6.981910
  H     -13.299364      2.619601      5.663971
  H     -12.161807      2.753432      1.202849
  H      -9.957110      2.751974     -0.030711
  H      -7.833606      2.768946      1.284558
  N      -5.231029      1.287880      4.201913
  N      -5.937812      1.009344      3.339643
100
Coordinates from ORCA-job orca E -6483.721517885494
  N      -2.517731      0.494598      5.082734
  Mo     -3.964218      1.775023      5.612439
  N      -5.037746      1.329684      7.211983
  C      -4.392924      1.480943      8.517157
  C      -2.876608      1.383939      8.354629
  N      -2.440881      2.185710      7.177892
  C      -1.131726      1.749212      6.642353
  C      -1.304693      0.444632      5.888169
  C      -2.470902      3.639403      7.451677
  C      -2.656421      4.381295      6.144969
  N      -3.719097      3.745356      5.350520
  H      -0.402339      0.277374      5.270889
  H      -1.349787     -0.414186      6.591298
  H      -0.796617      2.531439      5.947806
  H      -0.384556      1.659400      7.450831
  H      -2.921364      5.426815      6.383200
  H      -1.709531      4.430496      5.571496
  H      -3.346252      3.834225      8.086237
  H      -1.564285      3.954593      8.000038
  H      -4.719637      0.677409      9.206426
  H      -4.669139      2.435336      9.011507
  H      -2.604367      0.339788      8.150329
  H      -2.347264      1.712262      9.267488
  C      -2.669600     -0.711574      4.271834
  C      -1.809972     -0.707257      2.994257
  C      -2.266932      0.294603      1.954550
  O      -3.553467     -0.175826      1.481864
  C      -4.163695      0.296786      0.381667
  C      -5.292421     -0.411148     -0.022248
  C      -5.990992     -0.031633     -1.175732
  N      -5.664694      0.991284     -1.957598
  C      -4.594604      1.730186     -1.557623
  C      -4.244252      2.872734     -2.319377
  C      -3.200701      3.672082     -1.915673
  C      -2.498009      3.322559     -0.740795
  N      -2.772527      2.259945     -0.002803
  C      -3.798949      1.452519     -0.389820
  C      -4.505302      4.798056      4.697504
  C      -5.422163      4.388142      3.559499
  C      -4.658801      3.894456      2.334072
  O      -5.498315      3.925636      1.156013
  C      -5.604868      5.085006      0.497479
  C      -4.983129      6.277999      0.847243
  C      -5.158979      7.415382      0.031879
  N      -5.885766      7.465171     -1.072440
  C      -6.511336      6.302182     -1.430189
  C      -7.303879      6.284614     -2.603021
  C      -7.931946      5.118136     -2.979626
  C      -7.774098      3.971211     -2.174175
  N      -7.060206      3.939459     -1.056793
  C      -6.424989      5.081867     -0.685852
  C      -6.488514      1.233155      7.264625
  C      -7.185182      2.552438      7.645000
  C      -8.657228      2.556995      7.286235
  O      -8.729489      2.595401      5.846907
  C      -9.940578      2.612026      5.258914
  C     -11.161195      2.549222      5.917165
  C     -12.349097      2.559326      5.152804
  N     -12.413091      2.616517      3.832199
  C     -11.218634      2.675664      3.168667
  C     -11.209040      2.727543      1.751480
  C     -10.004395      2.764442      1.084799
  C      -8.802072      2.785505      1.830941
  N      -8.766639      2.761337      3.154940
  C      -9.947022      2.688831      3.822912
  H      -2.400463     -1.598714      4.879285
  H      -3.724209     -0.833826      3.990393
  H      -0.761321     -0.481275      3.243588
  H      -1.821225     -1.714539      2.547492
  H      -1.567933      0.362822      1.112004
  H      -2.383474      1.295570      2.388723
  H      -5.616798     -1.268622      0.567577
  H      -6.867252     -0.614044     -1.477937
  H      -4.840669      3.095665     -3.205317
  H      -2.920750      4.567585     -2.472185
  H      -1.674176      3.952918     -0.391894
  H      -3.803397      5.560917      4.299206
  H      -5.112515      5.323899      5.464003
  H      -5.993588      5.287410      3.275883
  H      -6.164225      3.644522      3.874218
  H      -4.360947      2.849037      2.426562
  H      -3.750027      4.489349      2.152400
  H      -4.363955      6.361500      1.739272
  H      -4.657488      8.344973      0.321961
  H      -7.392279      7.207900     -3.177967
  H      -8.549433      5.069479     -3.878235
  H      -8.249463      3.031691     -2.467193
  H      -6.801834      0.448507      7.984985
  H      -6.836337      0.929244      6.268178
  H      -6.694213      3.381888      7.108848
  H      -7.084477      2.751949      8.722841
  H      -9.172634      3.440349      7.699702
  H      -9.170280      1.651914      7.658734
  H     -11.226564      2.485553      7.002208
  H     -13.307631      2.516142      5.680742
  H     -12.165469      2.729356      1.224994
  H      -9.958467      2.785139     -0.005010
  H      -7.838602      2.828112      1.313992
  N      -5.252254      1.295120      4.214317
  N      -5.966325      1.017227      3.357871
100
Coordinates from ORCA-job orca E -6483.721620270887
  N      -2.529365      0.506640      5.078570
  Mo     -3.974263      1.785708      5.613217
  N      -5.039946      1.339763      7.217823
  C      -4.390322      1.495621      8.520029
  C      -2.874525      1.401534      8.352101
  N      -2.445346      2.201546      7.171981
  C      -1.138433      1.765738      6.629792
  C      -1.313201      0.459030      5.879612
  C      -2.475248      3.655556      7.443765
  C      -2.668097      4.395629      6.137148
  N      -3.731408      3.756225      5.346467
  H      -0.413092      0.290840      5.259314
  H      -1.355280     -0.398005      6.585069
  H      -0.809602      2.546967      5.931156
  H      -0.386069      1.679598      7.433871
  H      -2.935303      5.440613      6.375481
  H      -1.723400      4.447618      5.560092
  H      -3.346726      3.850522      8.083588
  H      -1.565578      3.972291      7.986129
  H      -4.712727      0.693345      9.212769
  H      -4.666968      2.450877      9.012446
  H      -2.600776      0.357442      8.149488
  H      -2.342444      1.733126      9.262187
  C      -2.687638     -0.702234      4.273114
  C      -1.831020     -0.708085      2.993424
  C      -2.281938      0.294694      1.951640
  O      -3.577543     -0.161082      1.489110
  C      -4.185329      0.309159      0.386198
  C      -5.321430     -0.391094     -0.010169
  C      -6.018873     -0.013469     -1.165028
  N      -5.684961      1.000765     -1.954814
  C      -4.607552      1.732991     -1.562247
  C      -4.249233      2.867512     -2.332275
  C      -3.198159      3.660690     -1.935976
  C      -2.496135      3.313198     -0.760107
  N      -2.778045      2.257790     -0.014484
  C      -3.811916      1.456329     -0.394177
  C      -4.515269      4.806880      4.687443
  C      -5.428525      4.394352      3.547594
  C      -4.662247      3.887296      2.329631
  O      -5.493472      3.928508      1.146047
  C      -5.574985      5.086788      0.482281
  C      -4.927561      6.267692      0.826129
  C      -5.073743      7.402418      0.001315
  N      -5.795353      7.460600     -1.106027
  C      -6.448966      6.310631     -1.455727
  C      -7.239176      6.302785     -2.630157
  C      -7.896416      5.149508     -2.997478
  C      -7.770383      4.006323     -2.180870
  N      -7.058649      3.965939     -1.062359
  C      -6.394417      5.094879     -0.701187
  C      -6.488859      1.226735      7.279415
  C      -7.198342      2.534646      7.675746
  C      -8.669257      2.528039      7.312632
  O      -8.737610      2.588263      5.873991
  C      -9.946972      2.582680      5.282669
  C     -11.167212      2.483025      5.937005
  C     -12.353258      2.472248      5.169926
  N     -12.415408      2.541273      3.849890
  C     -11.221099      2.636276      3.190217
  C     -11.210000      2.700776      1.773757
  C     -10.005197      2.772558      1.110115
  C      -8.805348      2.817017      1.859333
  N      -8.771755      2.782736      3.183274
  C      -9.951619      2.674711      3.847672
  H      -2.421998     -1.588312      4.883670
  H      -3.743321     -0.819876      3.993747
  H      -0.779838     -0.489889      3.239149
  H      -1.851655     -1.716732      2.550073
  H      -1.587132      0.349520      1.104621
  H      -2.382926      1.299208      2.381314
  H      -5.652500     -1.241313      0.586390
  H      -6.900951     -0.590085     -1.461369
  H      -4.845867      3.089930     -3.218237
  H      -2.912088      4.550333     -2.498746
  H      -1.666560      3.939150     -0.416862
  H      -3.811116      5.567360      4.288415
  H      -5.124131      5.336433      5.449995
  H      -5.992336      5.295430      3.254430
  H      -6.177932      3.658031      3.863090
  H      -4.381008      2.837717      2.425965
  H      -3.743365      4.467872      2.153073
  H      -4.308764      6.343025      1.719137
  H      -4.551002      8.322055      0.285592
  H      -7.302701      7.222791     -3.213599
  H      -8.513139      5.108920     -3.897068
  H      -8.270729      3.077169     -2.465301
  H      -6.788228      0.432279      7.994907
  H      -6.840325      0.927515      6.282873
  H      -6.714369      3.375636      7.151414
  H      -7.102780      2.721452      8.756300
  H      -9.197236      3.398096      7.738227
  H      -9.171803      1.610665      7.668976
  H     -11.233607      2.405875      7.021082
  H     -13.311645      2.400073      5.694970
  H     -12.165642      2.683619      1.246084
  H      -9.957109      2.803058      0.020614
  H      -7.842223      2.885727      1.344511
  N      -5.270601      1.306446      4.222368
  N      -5.989906      1.030289      3.369609
100
Coordinates from ORCA-job orca E -6483.721720435984
  N      -2.538828      0.520302      5.074060
  Mo     -3.984608      1.795160      5.615089
  N      -5.041158      1.345152      7.223972
  C      -4.386414      1.505807      8.523217
  C      -2.870662      1.417404      8.349419
  N      -2.449768      2.217648      7.166349
  C      -1.144747      1.785481      6.616695
  C      -1.319154      0.476999      5.869935
  C      -2.481895      3.671652      7.437442
  C      -2.684051      4.410746      6.131933
  N      -3.747099      3.766790      5.344729
  H      -0.421246      0.310303      5.246049
  H      -1.356154     -0.378953      6.576945
  H      -0.824150      2.566843      5.914409
  H      -0.386584      1.703910      7.415815
  H      -2.955409      5.454414      6.371583
  H      -1.741807      4.467974      5.551146
  H      -3.349346      3.864751      8.083272
  H      -1.569354      3.990860      7.973481
  H      -4.703325      0.704003      9.219009
  H      -4.664771      2.461276      9.014220
  H      -2.593533      0.374039      8.147626
  H      -2.336219      1.752533      9.256822
  C      -2.699634     -0.691513      4.273570
  C      -1.846126     -0.703679      2.991708
  C      -2.294115      0.298314      1.947997
  O      -3.597265     -0.146628      1.496496
  C      -4.203426      0.319263      0.390690
  C      -5.345278     -0.375435      0.001405
  C      -6.041528     -0.001279     -1.155399
  N      -5.701386      1.004610     -1.953080
  C      -4.618235      1.732043     -1.567373
  C      -4.253369      2.858838     -2.345644
  C      -3.196342      3.647505     -1.956158
  C      -2.495372      3.303525     -0.778621
  N      -2.783429      2.255236     -0.025358
  C      -3.822940      1.458033     -0.398473
  C      -4.529376      4.814784      4.679485
  C      -5.437252      4.398899      3.536839
  C      -4.667668      3.878001      2.326867
  O      -5.489020      3.931481      1.136608
  C      -5.544426      5.088006      0.467133
  C      -4.869752      6.255596      0.803646
  C      -4.985297      7.386125     -0.031737
  N      -5.702069      7.452367     -1.141862
  C      -6.385587      6.316986     -1.481976
  C      -7.174627      6.318810     -2.657247
  C      -7.863375      5.180400     -3.013217
  C      -7.770295      4.042874     -2.184504
  N      -7.059814      3.993948     -1.065606
  C      -6.364131      5.107552     -0.715973
  C      -6.488226      1.214472      7.293125
  C      -7.211037      2.510086      7.706802
  C      -8.680678      2.496012      7.337239
  O      -8.746000      2.580568      5.899323
  C      -9.953967      2.556610      5.304857
  C     -11.172774      2.424877      5.956202
  C     -12.357663      2.398257      5.187785
  N     -12.419975      2.480030      3.868561
  C     -11.227168      2.605946      3.211395
  C     -11.216663      2.683942      1.795537
  C     -10.013296      2.785483      1.133525
  C      -8.815384      2.847314      1.884254
  N      -8.781487      2.802108      3.207955
  C      -9.959132      2.663770      3.870642
  H      -2.433798     -1.575852      4.886543
  H      -3.756079     -0.808394      3.996775
  H      -0.793380     -0.489319      3.234257
  H      -1.872199     -1.713517      2.551356
  H      -1.604215      0.341264      1.096262
  H      -2.381924      1.306147      2.372648
  H      -5.681826     -1.218696      0.604718
  H      -6.928207     -0.573600     -1.446283
  H      -4.850016      3.079592     -3.232053
  H      -2.905247      4.531569     -2.525105
  H      -1.661493      3.926415     -0.440403
  H      -3.823830      5.574116      4.280621
  H      -5.141191      5.346837      5.437852
  H      -5.992927      5.301481      3.232723
  H      -6.193881      3.670346      3.852871
  H      -4.405441      2.823878      2.426035
  H      -3.737493      4.442272      2.157454
  H      -4.250586      6.322793      1.697040
  H      -4.439923      8.294737      0.245403
  H      -7.212444      7.234222     -3.250085
  H      -8.480794      5.147762     -3.912601
  H      -8.298108      3.125940     -2.458717
  H      -6.773875      0.409143      8.002009
  H      -6.842356      0.921401      6.295766
  H      -6.732718      3.363263      7.197231
  H      -7.121854      2.681090      8.790483
  H      -9.219136      3.353181      7.775591
  H      -9.174840      1.567433      7.675681
  H     -11.238995      2.334850      7.039204
  H     -13.314830      2.301159      5.711049
  H     -12.171767      2.652846      1.267570
  H      -9.964736      2.826256      0.044373
  H      -7.853761      2.938197      1.370237
  N      -5.290386      1.314367      4.233852
  N      -6.016395      1.038031      3.387002
100
Coordinates from ORCA-job orca E -6483.722253277489
  N      -2.569859      0.521713      5.078924
  Mo     -4.001690      1.803626      5.630016
  N      -5.055718      1.353441      7.240052
  C      -4.400531      1.510093      8.538483
  C      -2.888590      1.411961      8.364398
  N      -2.463236      2.210293      7.182535
  C      -1.161833      1.768504      6.626187
  C      -1.346839      0.464414      5.871892
  C      -2.482125      3.664416      7.457450
  C      -2.686288      4.411453      6.154192
  N      -3.754382      3.775295      5.366937
  H      -0.452560      0.296847      5.242778
  H      -1.385411     -0.396026      6.573862
  H      -0.836885      2.550149      5.925975
  H      -0.401429      1.678272      7.422778
  H      -2.951776      5.455189      6.400435
  H      -1.746090      4.467911      5.569981
  H      -3.342178      3.861218      8.112076
  H      -1.562977      3.975306      7.987134
  H      -4.723545      0.712531      9.236028
  H      -4.671973      2.468649      9.026204
  H      -2.617764      0.367068      8.162125
  H      -2.352435      1.742438      9.272404
  C      -2.748082     -0.677181      4.262261
  C      -1.883562     -0.685884      2.989862
  C      -2.317200      0.322699      1.943026
  O      -3.604975     -0.131010      1.451742
  C      -4.180378      0.310763      0.317578
  C      -5.274706     -0.430940     -0.118128
  C      -5.920763     -0.102401     -1.317449
  N      -5.575971      0.902176     -2.114284
  C      -4.541049      1.674909     -1.686270
  C      -4.175356      2.801031     -2.465623
  C      -3.169621      3.634658     -2.035878
  C      -2.516685      3.333609     -0.819461
  N      -2.802957      2.284940     -0.065926
  C      -3.798108      1.448390     -0.473510
  C      -4.532216      4.824846      4.699183
  C      -5.447200      4.407843      3.560303
  C      -4.690518      3.871824      2.351412
  O      -5.515581      3.933984      1.162892
  C      -5.572494      5.089890      0.487982
  C      -4.890193      6.258716      0.806506
  C      -5.001671      7.377754     -0.044121
  N      -5.719727      7.432281     -1.154577
  C      -6.417364      6.299548     -1.472311
  C      -7.202910      6.285412     -2.650068
  C      -7.903237      5.146568     -2.983541
  C      -7.826921      4.025643     -2.127044
  N      -7.110751      3.991600     -1.013093
  C      -6.402766      5.102958     -0.686696
  C      -6.501269      1.219235      7.321455
  C      -7.217739      2.512691      7.757200
  C      -8.684304      2.515395      7.376915
  O      -8.734205      2.630698      5.941442
  C      -9.933493      2.586578      5.336074
  C     -11.153719      2.418792      5.974650
  C     -12.330978      2.367804      5.196319
  N     -12.383141      2.459012      3.877770
  C     -11.187332      2.625237      3.234310
  C     -11.167281      2.715931      1.820862
  C      -9.962855      2.875927      1.170930
  C      -8.773589      2.962194      1.933633
  N      -8.747545      2.892645      3.256767
  C      -9.927094      2.711495      3.905104
  H      -2.501350     -1.573784      4.865594
  H      -3.803504     -0.772231      3.973534
  H      -0.832852     -0.475650      3.246817
  H      -1.905431     -1.694570      2.545873
  H      -1.606194      0.372305      1.108768
  H      -2.420364      1.329820      2.369073
  H      -5.610001     -1.278532      0.479899
  H      -6.768277     -0.713153     -1.645285
  H      -4.733262      2.986367     -3.384778
  H      -2.882754      4.520882     -2.603758
  H      -1.724660      3.992775     -0.449052
  H      -3.821731      5.576802      4.295195
  H      -5.138098      5.365469      5.455962
  H      -5.995088      5.313224      3.252068
  H      -6.209774      3.686878      3.883098
  H      -4.443963      2.811974      2.453773
  H      -3.751366      4.419779      2.178191
  H      -4.264423      6.334168      1.693383
  H      -4.449424      8.286807      0.218335
  H      -7.225667      7.187039     -3.264722
  H      -8.510850      5.099702     -3.888995
  H      -8.365788      3.106769     -2.378773
  H      -6.779380      0.404972      8.022699
  H      -6.865758      0.936332      6.325430
  H      -6.729594      3.371848      7.267991
  H      -7.136103      2.663310      8.844738
  H      -9.223437      3.365385      7.828005
  H      -9.184546      1.581402      7.689268
  H     -11.226155      2.317832      7.056030
  H     -13.289565      2.236795      5.710059
  H     -12.117640      2.654180      1.287314
  H      -9.906998      2.941913      0.083271
  H      -7.811701      3.095851      1.428586
  N      -5.313912      1.336770      4.250779
  N      -6.042291      1.057989      3.408582
100
Coordinates from ORCA-job orca E -6483.720832131359
  N      -2.607707      0.459336      5.071959
  Mo     -4.020870      1.755913      5.624983
  N      -5.062533      1.333501      7.248176
  C      -4.397521      1.506471      8.538551
  C      -2.890860      1.391903      8.356455
  N      -2.464827      2.166974      7.159618
  C      -1.172421      1.700508      6.595878
  C      -1.376181      0.391462      5.853809
  C      -2.462276      3.626693      7.412216
  C      -2.677736      4.360222      6.098361
  N      -3.760239      3.722314      5.330227
  H      -0.490898      0.216321      5.213767
  H      -1.411954     -0.466442      6.559750
  H      -0.844089      2.470696      5.884270
  H      -0.404990      1.610918      7.386565
  H      -2.930565      5.409450      6.334737
  H      -1.744131      4.401204      5.502431
  H      -3.306242      3.842259      8.081770
  H      -1.529793      3.934668      7.919942
  H      -4.725174      0.728084      9.254866
  H      -4.655613      2.477913      9.005857
  H      -2.629991      0.341427      8.170433
  H      -2.346873      1.731139      9.256474
  C      -2.803326     -0.713877      4.222903
  C      -1.925469     -0.681219      2.964359
  C      -2.322537      0.396327      1.970396
  O      -3.608567      0.001532      1.422760
  C      -4.151393      0.531912      0.309543
  C      -5.223863     -0.176132     -0.223951
  C      -5.828419      0.247455     -1.415747
  N      -5.466200      1.318525     -2.111827
  C      -4.449905      2.055611     -1.586095
  C      -4.064972      3.245745     -2.253870
  C      -3.076379      4.040883     -1.722431
  C      -2.454833      3.633484     -0.520036
  N      -2.757647      2.521723      0.128701
  C      -3.743876      1.727583     -0.374746
  C      -4.530413      4.757067      4.629439
  C      -5.453146      4.304579      3.505652
  C      -4.715746      3.703698      2.317542
  O      -5.533607      3.741614      1.118175
  C      -5.586784      4.870193      0.390332
  C      -4.896559      6.050836      0.645633
  C      -5.003504      7.123826     -0.261725
  N      -5.721394      7.123962     -1.374496
  C      -6.434746      5.985521     -1.626580
  C      -7.219086      5.912620     -2.803761
  C      -7.937312      4.765913     -3.068655
  C      -7.880843      3.696485     -2.143091
  N      -7.152455      3.716379     -1.039247
  C      -6.427326      4.833226     -0.777265
  C      -6.508236      1.205414      7.352646
  C      -7.206503      2.508230      7.800169
  C      -8.676027      2.544959      7.424593
  O      -8.732749      2.683375      5.990557
  C      -9.935769      2.654469      5.395572
  C     -11.151002      2.508692      6.046728
  C     -12.338574      2.472323      5.283460
  N     -12.404908      2.562205      3.965953
  C     -11.213078      2.714842      3.310444
  C     -11.210112      2.810537      1.898332
  C     -10.014346      2.983311      1.235135
  C      -8.815711      3.047272      1.984475
  N      -8.770506      2.953341      3.305743
  C      -9.943385      2.782379      3.966122
  H      -2.578506     -1.636796      4.794732
  H      -3.856344     -0.776769      3.917757
  H      -0.874349     -0.506759      3.248468
  H      -1.959169     -1.666123      2.469482
  H      -1.592755      0.477103      1.154021
  H      -2.411129      1.382132      2.451741
  H      -5.573871     -1.071787      0.289860
  H      -6.659072     -0.337869     -1.824137
  H      -4.596008      3.509642     -3.169868
  H      -2.776484      4.973662     -2.202404
  H      -1.672493      4.256714     -0.072517
  H      -3.811623      5.485652      4.198248
  H      -5.127457      5.332563      5.366543
  H      -5.986347      5.204444      3.160708
  H      -6.225088      3.609624      3.861641
  H      -4.500592      2.638621      2.461086
  H      -3.759025      4.215273      2.127919
  H      -4.265611      6.168651      1.522349
  H      -4.444917      8.042090     -0.048203
  H      -7.225067      6.774579     -3.473716
  H      -8.538337      4.672201     -3.974262
  H      -8.440248      2.772688     -2.335091
  H      -6.779596      0.392498      8.057496
  H      -6.891485      0.921879      6.364728
  H      -6.704907      3.362895      7.318228
  H      -7.120753      2.650118      8.889019
  H      -9.197132      3.398931      7.888514
  H      -9.192030      1.615928      7.723502
  H     -11.211528      2.417367      7.129062
  H     -13.292592      2.352001      5.809110
  H     -12.168537      2.752627      1.379802
  H      -9.972284      3.073231      0.148518
  H      -7.861097      3.187196      1.467694
  N      -5.345153      1.271399      4.266889
  N      -6.079237      0.955083      3.448140
100
Coordinates from ORCA-job orca E -6483.722992539722
  N      -2.587244      0.515940      5.070648
  Mo     -4.020090      1.789473      5.632277
  N      -5.064856      1.326615      7.243616
  C      -4.406992      1.483413      8.540558
  C      -2.897088      1.390388      8.363256
  N      -2.477649      2.193238      7.182893
  C      -1.177110      1.755171      6.619810
  C      -1.360991      0.454917      5.859046
  C      -2.496605      3.647564      7.461722
  C      -2.715528      4.401749      6.162431
  N      -3.783698      3.764243      5.376509
  H      -0.469440      0.296657      5.223820
  H      -1.392346     -0.410936      6.554728
  H      -0.854598      2.540634      5.922576
  H      -0.414241      1.662662      7.413932
  H      -2.985524      5.442405      6.417338
  H      -1.779211      4.467767      5.573074
  H      -3.347259      3.840019      8.129696
  H      -1.571150      3.958709      7.980095
  H      -4.728213      0.687351      9.240440
  H      -4.679056      2.442793      9.025936
  H      -2.621878      0.347049      8.157887
  H      -2.360511      1.719792      9.271497
  C      -2.762781     -0.666376      4.228859
  C      -1.888427     -0.648096      2.964534
  C      -2.314338      0.379070      1.932986
  O      -3.589387     -0.075771      1.410392
  C      -4.138658      0.373957      0.266583
  C      -5.213825     -0.370613     -0.208995
  C      -5.835742     -0.023305     -1.416141
  N      -5.487144      1.004309     -2.181240
  C      -4.469790      1.777910     -1.713589
  C      -4.102964      2.928863     -2.455713
  C      -3.113999      3.760859     -1.985244
  C      -2.476236      3.431150     -0.767792
  N      -2.764004      2.359489     -0.048457
  C      -3.747389      1.528302     -0.493252
  C      -4.561751      4.806030      4.695640
  C      -5.463899      4.372040      3.551271
  C      -4.694085      3.831152      2.354224
  O      -5.504302      3.868227      1.153328
  C      -5.573700      5.010116      0.454695
  C      -4.900444      6.191485      0.743563
  C      -5.015827      7.284653     -0.138861
  N      -5.728559      7.302264     -1.254755
  C      -6.422689      6.159271     -1.540274
  C      -7.203802      6.105817     -2.720518
  C      -7.905655      4.957304     -3.016843
  C      -7.835211      3.865401     -2.121248
  N      -7.114948      3.866992     -1.010842
  C      -6.405433      4.987251     -0.718867
  C      -6.509604      1.180725      7.338369
  C      -7.224363      2.464297      7.810121
  C      -8.692020      2.490452      7.429780
  O      -8.743904      2.653062      5.998255
  C      -9.943812      2.631095      5.393646
  C     -11.166136      2.478997      6.031829
  C     -12.346069      2.457721      5.255969
  N     -12.399334      2.566464      3.938852
  C     -11.201164      2.721146      3.295777
  C     -11.183275      2.833512      1.884101
  C      -9.978788      2.992636      1.234287
  C      -8.787369      3.041728      1.995626
  N      -8.756772      2.942247      3.316948
  C      -9.937816      2.774789      3.964873
  H      -2.522492     -1.577091      4.813584
  H      -3.815712     -0.751705      3.929667
  H      -0.841048     -0.439600      3.236712
  H      -1.901031     -1.648241      2.501113
  H      -1.589562      0.447939      1.111255
  H      -2.431124      1.378300      2.375534
  H      -5.553385     -1.233878      0.363797
  H      -6.667523     -0.636824     -1.777633
  H      -4.646853      3.133553     -3.379412
  H      -2.827915      4.665893     -2.523034
  H      -1.696715      4.086872     -0.366086
  H      -3.850915      5.558016      4.291975
  H      -5.176170      5.350368      5.442322
  H      -6.015588      5.270187      3.229941
  H      -6.223585      3.648087      3.875651
  H      -4.440807      2.774217      2.469300
  H      -3.756073      4.383309      2.184801
  H      -4.273697      6.293711      1.627093
  H      -4.470106      8.204301      0.099402
  H      -7.222308      6.985391     -3.366522
  H      -8.508232      4.880254     -3.923092
  H      -8.384424      2.942985     -2.337748
  H      -6.773759      0.351047      8.026451
  H      -6.886312      0.913484      6.342729
  H      -6.730515      3.334710      7.347867
  H      -7.144331      2.583944      8.901766
  H      -9.223718      3.330320      7.907521
  H      -9.199321      1.550692      7.710711
  H     -11.238412      2.373472      7.112641
  H     -13.305699      2.336803      5.770555
  H     -12.136115      2.790167      1.353514
  H      -9.924141      3.083543      0.148523
  H      -7.826145      3.165472      1.488622
  N      -5.333188      1.308515      4.260870
  N      -6.061905      0.997990      3.431945
100
Coordinates from ORCA-job orca E -6483.723387988752
  N      -2.588532      0.517238      5.063210
  Mo     -4.024754      1.785837      5.627355
  N      -5.072037      1.313948      7.234895
  C      -4.416568      1.462688      8.534311
  C      -2.906597      1.370913      8.359566
  N      -2.486211      2.180224      7.184470
  C      -1.184135      1.746247      6.623173
  C      -1.365526      0.450524      5.855167
  C      -2.506533      3.633966      7.468544
  C      -2.725183      4.395047      6.172279
  N      -3.790784      3.761245      5.380763
  H      -0.471998      0.296355      5.221908
  H      -1.399206     -0.419339      6.545465
  H      -0.859414      2.535772      5.931561
  H      -0.424279      1.649521      7.419565
  H      -2.997420      5.433790      6.433100
  H      -1.787673      4.465955      5.585233
  H      -3.356689      3.823421      8.137915
  H      -1.580957      3.943623      7.987488
  H      -4.739846      0.663116      9.229246
  H      -4.689581      2.419620      9.024334
  H      -2.629937      0.329059      8.148388
  H      -2.371578      1.695261      9.270615
  C      -2.757440     -0.656818      4.208607
  C      -1.871167     -0.628437      2.951946
  C      -2.284238      0.410944      1.927964
  O      -3.559506     -0.030560      1.395565
  C      -4.099783      0.425717      0.249948
  C      -5.183940     -0.305565     -0.225809
  C      -5.806786      0.054530     -1.428630
  N      -5.450778      1.082551     -2.189476
  C      -4.423790      1.843285     -1.721796
  C      -4.048309      2.993883     -2.460076
  C      -3.045739      3.810877     -1.992286
  C      -2.404528      3.467417     -0.780510
  N      -2.703029      2.397409     -0.062870
  C      -3.698708      1.579854     -0.505905
  C      -4.564813      4.802691      4.694902
  C      -5.465390      4.363970      3.550909
  C      -4.694515      3.810256      2.360220
  O      -5.505147      3.825351      1.159551
  C      -5.578274      4.955034      0.442896
  C      -4.904195      6.140578      0.710527
  C      -5.024825      7.220061     -0.188142
  N      -5.743965      7.220215     -1.300125
  C      -6.438032      6.072206     -1.565203
  C      -7.228626      6.001450     -2.738417
  C      -7.933063      4.849164     -3.012295
  C      -7.854631      3.769945     -2.102517
  N      -7.127801      3.788520     -0.996960
  C      -6.416146      4.913144     -0.725936
  C      -6.517192      1.166050      7.329563
  C      -7.231686      2.442474      7.820387
  C      -8.700592      2.476873      7.445360
  O      -8.759568      2.659806      6.016343
  C      -9.962985      2.653919      5.417594
  C     -11.184214      2.507940      6.059987
  C     -12.367919      2.508326      5.289423
  N     -12.426367      2.632730      3.973724
  C     -11.229610      2.780010      3.326184
  C     -11.217325      2.909894      1.915569
  C     -10.013752      3.055314      1.261243
  C      -8.818585      3.079446      2.017132
  N      -8.782322      2.966696      3.337258
  C      -9.962428      2.810032      3.989728
  H      -2.525526     -1.574055      4.786476
  H      -3.807665     -0.736084      3.899210
  H      -0.825481     -0.426579      3.234924
  H      -1.882717     -1.623373      2.477743
  H      -1.554211      0.484772      1.111677
  H      -2.398649      1.405604      2.380358
  H      -5.531260     -1.167267      0.344624
  H      -6.645703     -0.548863     -1.790551
  H      -4.594859      3.209441     -3.379771
  H      -2.751571      4.714652     -2.527811
  H      -1.612309      4.110017     -0.382398
  H      -3.851133      5.551460      4.290186
  H      -5.180290      5.351329      5.437446
  H      -6.013875      5.261484      3.221619
  H      -6.227976      3.645393      3.879936
  H      -4.437210      2.756071      2.489377
  H      -3.758887      4.364071      2.182070
  H      -4.273302      6.255988      1.589903
  H      -4.479120      8.143834      0.033304
  H      -7.253295      6.871795     -3.396521
  H      -8.545038      4.759722     -3.911036
  H      -8.406891      2.845869     -2.300914
  H      -6.778465      0.327547      8.007960
  H      -6.896296      0.910565      6.331549
  H      -6.737872      3.319433      7.370293
  H      -7.149615      2.545993      8.913446
  H      -9.227246      3.311694      7.937400
  H      -9.209658      1.534713      7.715271
  H     -11.252910      2.392479      7.140285
  H     -13.326390      2.393672      5.807397
  H     -12.173113      2.886264      1.388991
  H      -9.962450      3.155144      0.176173
  H      -7.858553      3.190358      1.505577
  N      -5.334957      1.292167      4.258764
  N      -6.063878      0.953920      3.440912
100
Coordinates from ORCA-job orca E -6483.723701993353
  N      -2.606812      0.519257      5.046415
  Mo     -4.041637      1.786591      5.617733
  N      -5.092728      1.302005      7.221920
  C      -4.437713      1.431576      8.523797
  C      -2.929317      1.333106      8.349639
  N      -2.504893      2.151781      7.184394
  C      -1.202651      1.720053      6.624029
  C      -1.387617      0.435463      5.841200
  C      -2.520453      3.604309      7.479314
  C      -2.735951      4.380409      6.189098
  N      -3.801006      3.759574      5.388421
  H      -0.492992      0.284720      5.209061
  H      -1.427784     -0.442165      6.520851
  H      -0.870884      2.516164      5.943344
  H      -0.447958      1.610797      7.423566
  H      -3.007043      5.416541      6.462540
  H      -1.796595      4.456229      5.605285
  H      -3.368319      3.791997      8.151911
  H      -1.592641      3.906523      7.998470
  H      -4.767017      0.626770      9.209850
  H      -4.706251      2.384763      9.024047
  H      -2.656660      0.292746      8.126073
  H      -2.392939      1.644078      9.264645
  C      -2.766078     -0.637053      4.166310
  C      -1.855873     -0.585819      2.926580
  C      -2.256816      0.469092      1.914472
  O      -3.516435      0.024466      1.349952
  C      -4.040329      0.487962      0.199968
  C      -5.090785     -0.265513     -0.314889
  C      -5.696824      0.100117     -1.524446
  N      -5.356916      1.154821     -2.254901
  C      -4.366671      1.938069     -1.746940
  C      -4.016289      3.118138     -2.450004
  C      -3.047861      3.954100     -1.945125
  C      -2.417541      3.601731     -0.730233
  N      -2.697903      2.508201     -0.040929
  C      -3.658423      1.670242     -0.522027
  C      -4.561269      4.801773      4.689141
  C      -5.458667      4.354698      3.544310
  C      -4.686597      3.775277      2.366299
  O      -5.497621      3.757468      1.166885
  C      -5.571082      4.866931      0.421530
  C      -4.892037      6.055908      0.657469
  C      -5.012035      7.112837     -0.267937
  N      -5.734924      7.086878     -1.376933
  C      -6.433321      5.934663     -1.610998
  C      -7.231004      5.838971     -2.777503
  C      -7.943663      4.685278     -3.018640
  C      -7.866135      3.627700     -2.083427
  N      -7.135098      3.669831     -0.980987
  C      -6.414316      4.797409     -0.742396
  C      -6.537833      1.159023      7.325999
  C      -7.240140      2.428161      7.848167
  C      -8.710065      2.480121      7.485971
  O      -8.776325      2.681092      6.060592
  C      -9.982867      2.707017      5.470792
  C     -11.204971      2.599001      6.120075
  C     -12.391496      2.634877      5.354929
  N     -12.452124      2.759020      4.039150
  C     -11.254491      2.865443      3.385135
  C     -11.245377      2.992093      1.974377
  C     -10.040284      3.086509      1.312978
  C      -8.841035      3.069555      2.062745
  N      -8.800843      2.963611      3.383407
  C      -9.983881      2.854627      4.042185
  H      -2.549032     -1.566829      4.729813
  H      -3.810550     -0.705100      3.837375
  H      -0.816039     -0.385325      3.230677
  H      -1.853727     -1.571934      2.434816
  H      -1.511360      0.568866      1.115890
  H      -2.393140      1.451824      2.385720
  H      -5.423484     -1.149211      0.229868
  H      -6.506723     -0.522062     -1.919027
  H      -4.552926      3.338813     -3.374406
  H      -2.772734      4.878939     -2.454095
  H      -1.648967      4.256173     -0.306021
  H      -3.837910      5.540854      4.283686
  H      -5.178951      5.362195      5.420711
  H      -5.998743      5.252029      3.199689
  H      -6.229539      3.647406      3.881273
  H      -4.427066      2.725249      2.520768
  H      -3.752603      4.327222      2.173524
  H      -4.258501      6.189775      1.532753
  H      -4.462833      8.040193     -0.072079
  H      -7.255817      6.693009     -3.456537
  H      -8.563087      4.578703     -3.910751
  H      -8.426365      2.704420     -2.257084
  H      -6.794526      0.308848      7.991525
  H      -6.929008      0.923543      6.327398
  H      -6.742494      3.310650      7.412649
  H      -7.150820      2.510025      8.942372
  H      -9.223305      3.313245      7.995030
  H      -9.226887      1.539121      7.746086
  H     -11.272067      2.489215      7.201547
  H     -13.350561      2.552076      5.877498
  H     -12.204617      3.000967      1.453332
  H      -9.990061      3.176820      0.227125
  H      -7.880619      3.135569      1.544047
  N      -5.347513      1.272241      4.254274
  N      -6.080834      0.865301      3.471844
100
Coordinates from ORCA-job orca E -6483.724001220867
  N      -2.611577      0.526261      5.044275
  Mo     -4.043750      1.793035      5.621946
  N      -5.090702      1.306404      7.228378
  C      -4.434460      1.436918      8.529620
  C      -2.926454      1.339970      8.353682
  N      -2.505550      2.158840      7.187071
  C      -1.204422      1.727491      6.622244
  C      -1.390826      0.442618      5.837806
  C      -2.520525      3.611038      7.482136
  C      -2.739361      4.388105      6.193937
  N      -3.803255      3.766539      5.393623
  H      -0.496920      0.291812      5.204698
  H      -1.430463     -0.435405      6.517101
  H      -0.875272      2.524554      5.941404
  H      -0.447301      1.617981      7.419533
  H      -3.013250      5.422853      6.470190
  H      -1.800987      4.468492      5.609021
  H      -3.365897      3.798430      8.157938
  H      -1.590939      3.913312      7.998095
  H      -4.762825      0.631945      9.215926
  H      -4.703028      2.389989      9.029938
  H      -2.653306      0.299772      8.130194
  H      -2.388633      1.651959      9.267480
  C      -2.775505     -0.629621      4.163764
  C      -1.872311     -0.584832      2.918728
  C      -2.270331      0.474518      1.909469
  O      -3.542996      0.048496      1.358993
  C      -4.064048      0.509570      0.206281
  C      -5.129449     -0.229912     -0.298271
  C      -5.732854      0.135407     -1.509437
  N      -5.375262      1.176004     -2.251786
  C      -4.368223      1.945113     -1.755289
  C      -3.995087      3.109473     -2.472876
  C      -3.009303      3.931673     -1.979069
  C      -2.384762      3.581190     -0.760681
  N      -2.685110      2.501040     -0.058791
  C      -3.662938      1.677133     -0.528879
  C      -4.557705      4.810862      4.692664
  C      -5.460676      4.366626      3.552838
  C      -4.696960      3.776360      2.375716
  O      -5.515604      3.761062      1.182210
  C      -5.582642      4.866969      0.430990
  C      -4.891167      6.051537      0.653275
  C      -4.998033      7.097575     -0.286255
  N      -5.719517      7.064970     -1.396109
  C      -6.432030      5.918354     -1.614762
  C      -7.227021      5.813863     -2.782327
  C      -7.949617      4.663270     -3.009045
  C      -7.885532      3.619406     -2.057837
  N      -7.157934      3.670134     -0.953896
  C      -6.426808      4.793260     -0.730738
  C      -6.534454      1.150731      7.333360
  C      -7.248340      2.409151      7.866263
  C      -8.715584      2.457357      7.490805
  O      -8.771875      2.676787      6.067330
  C      -9.973855      2.690077      5.466902
  C     -11.198983      2.552598      6.104760
  C     -12.380082      2.581573      5.330969
  N     -12.432934      2.725713      4.016933
  C     -11.232440      2.860255      3.373693
  C     -11.215310      3.008833      1.964948
  C     -10.007332      3.131317      1.313873
  C      -8.813325      3.119272      2.071886
  N      -8.780961      2.994726      3.391219
  C      -9.966608      2.858073      4.040117
  H      -2.560222     -1.559977      4.726999
  H      -3.821303     -0.693802      3.838267
  H      -0.828617     -0.393846      3.215638
  H      -1.882506     -1.570802      2.426616
  H      -1.531970      0.563313      1.102716
  H      -2.387498      1.459749      2.380864
  H      -5.476461     -1.102124      0.256027
  H      -6.555451     -0.475485     -1.895362
  H      -4.529594      3.330880     -3.398328
  H      -2.718675      4.846466     -2.497461
  H      -1.606076      4.227321     -0.342412
  H      -3.830935      5.544241      4.283025
  H      -5.170270      5.376727      5.424364
  H      -5.993915      5.266755      3.204952
  H      -6.236440      3.667489      3.895083
  H      -4.444903      2.724975      2.532989
  H      -3.759463      4.319399      2.176514
  H      -4.255816      6.188752      1.526455
  H      -4.437959      8.020926     -0.102385
  H      -7.240589      6.657811     -3.474216
  H      -8.566516      4.548741     -3.901814
  H      -8.453767      2.698822     -2.219450
  H      -6.783216      0.292446      7.991453
  H      -6.924532      0.920891      6.333129
  H      -6.752101      3.300197      7.446845
  H      -7.169498      2.476748      8.962269
  H      -9.238539      3.280501      8.006199
  H      -9.228658      1.509884      7.734176
  H     -11.272942      2.424108      7.183693
  H     -13.341603      2.475197      5.844756
  H     -12.170978      3.013932      1.437446
  H      -9.950679      3.240307      0.229991
  H      -7.850416      3.208658      1.560884
  N      -5.368015      1.277790      4.276525
  N      -6.114189      0.874572      3.503373
100
Coordinates from ORCA-job orca E -6483.724186002104
  N      -2.613485      0.527034      5.038279
  Mo     -4.043444      1.794218      5.621515
  N      -5.092958      1.306952      7.226887
  C      -4.437746      1.432124      8.529351
  C      -2.929469      1.332835      8.354763
  N      -2.507118      2.154008      7.189999
  C      -1.205635      1.722653      6.624608
  C      -1.393183      0.440405      5.833484
  C      -2.521243      3.605329      7.488475
  C      -2.735576      4.385038      6.202664
  N      -3.797326      3.766672      5.398521
  H      -0.498390      0.290660      5.201376
  H      -1.434665     -0.440376      6.509432
  H      -0.873826      2.522333      5.948108
  H      -0.449888      1.607961      7.422595
  H      -3.010327      5.419002      6.481582
  H      -1.795556      4.467329      5.620687
  H      -3.367760      3.792427      8.162938
  H      -1.592302      3.905848      8.006776
  H      -4.769105      0.625200      9.211925
  H      -4.704369      2.383610      9.033446
  H      -2.658403      0.292711      8.128547
  H      -2.390979      1.641725      9.269140
  C      -2.775401     -0.623519      4.150137
  C      -1.872547     -0.572396      2.905819
  C      -2.268799      0.495327      1.903805
  O      -3.543074      0.078304      1.349167
  C      -4.048048      0.537239      0.188284
  C      -5.105639     -0.202043     -0.332876
  C      -5.685772      0.160036     -1.556518
  N      -5.311670      1.196772     -2.296401
  C      -4.312010      1.965464     -1.784404
  C      -3.922366      3.126421     -2.498987
  C      -2.945425      3.949087     -1.988421
  C      -2.346286      3.602400     -0.756283
  N      -2.661616      2.524714     -0.056949
  C      -3.631532      1.701079     -0.543504
  C      -4.538488      4.816156      4.693131
  C      -5.452982      4.379015      3.560882
  C      -4.702967      3.770044      2.385237
  O      -5.529559      3.757108      1.197524
  C      -5.580502      4.856252      0.433370
  C      -4.870750      6.033400      0.637864
  C      -4.966207      7.068577     -0.314723
  N      -5.693570      7.033175     -1.420976
  C      -6.425861      5.895729     -1.620504
  C      -7.230397      5.787598     -2.781394
  C      -7.969543      4.643210     -2.988347
  C      -7.911721      3.610983     -2.024381
  N      -7.176522      3.666685     -0.926176
  C      -6.430483      4.781994     -0.723039
  C      -6.537311      1.152635      7.328134
  C      -7.249997      2.412384      7.860650
  C      -8.719685      2.461696      7.491398
  O      -8.786627      2.668668      6.066090
  C      -9.995641      2.692697      5.479490
  C     -11.213265      2.584187      6.135769
  C     -12.404784      2.625407      5.378658
  N     -12.474361      2.755641      4.064092
  C     -11.281294      2.859541      3.402001
  C     -11.282045      2.988387      1.991011
  C     -10.081900      3.078656      1.321497
  C      -8.877392      3.050662      2.062098
  N      -8.827978      2.945352      3.382537
  C     -10.006127      2.841831      4.050437
  H      -2.561067     -1.557157      4.708415
  H      -3.820594     -0.685780      3.822177
  H      -0.827905     -0.386204      3.202811
  H      -1.886104     -1.555262      2.407354
  H      -1.530345      0.588817      1.097202
  H      -2.383077      1.477733      2.382948
  H      -5.463542     -1.072323      0.217633
  H      -6.502645     -0.450466     -1.955167
  H      -4.438477      3.345742     -3.435270
  H      -2.644473      4.862545     -2.503191
  H      -1.576796      4.250185     -0.323589
  H      -3.802625      5.535979      4.275729
  H      -5.139661      5.395237      5.424077
  H      -5.972964      5.285062      3.209118
  H      -6.238799      3.694280      3.910789
  H      -4.460977      2.717212      2.551528
  H      -3.760687      4.300348      2.175966
  H      -4.230470      6.172588      1.506531
  H      -4.390956      7.985452     -0.145466
  H      -7.237918      6.623109     -3.483637
  H      -8.595056      4.524845     -3.874208
  H      -8.492236      2.694800     -2.170179
  H      -6.788077      0.294013      7.985028
  H      -6.926177      0.924354      6.327381
  H      -6.755136      3.302544      7.437967
  H      -7.167076      2.482045      8.956353
  H      -9.236635      3.290805      8.003378
  H      -9.234782      1.518587      7.746995
  H     -11.273590      2.469446      7.216536
  H     -13.360559      2.541799      5.907396
  H     -12.244430      3.008173      1.476488
  H     -10.038802      3.173560      0.235679
  H      -7.921240      3.113433      1.535608
  N      -5.381875      1.277629      4.290475
  N      -6.138874      0.875057      3.526836
100
Coordinates from ORCA-job orca E -6483.724395347916
  N      -2.618734      0.539678      5.023319
  Mo     -4.055972      1.792414      5.621770
  N      -5.102807      1.285454      7.225140
  C      -4.445702      1.395471      8.528147
  C      -2.936973      1.305882      8.349734
  N      -2.521691      2.142854      7.193994
  C      -1.217438      1.727103      6.623472
  C      -1.397599      0.453138      5.817412
  C      -2.546131      3.591160      7.506572
  C      -2.762227      4.381975      6.228098
  N      -3.817079      3.764901      5.414837
  H      -0.501797      0.315456      5.184139
  H      -1.433719     -0.435062      6.483906
  H      -0.890239      2.536975      5.956964
  H      -0.461475      1.606959      7.420386
  H      -3.046265      5.410798      6.517502
  H      -1.820884      4.478030      5.650228
  H      -3.394914      3.766762      8.181224
  H      -1.619898      3.893134      8.028992
  H      -4.773010      0.577631      9.199636
  H      -4.715441      2.338383      9.046603
  H      -2.661030      0.270098      8.109795
  H      -2.397378      1.606779      9.266011
  C      -2.766466     -0.600728      4.120413
  C      -1.861001     -0.525601      2.879262
  C      -2.264127      0.551386      1.889832
  O      -3.535440      0.132884      1.329962
  C      -4.025859      0.579918      0.158584
  C      -5.061675     -0.177096     -0.380241
  C      -5.622026      0.171060     -1.617043
  N      -5.249544      1.211136     -2.352825
  C      -4.274194      1.998473     -1.822607
  C      -3.894529      3.167248     -2.529776
  C      -2.944155      4.009176     -2.000625
  C      -2.363424      3.675220     -0.756276
  N      -2.671719      2.592255     -0.061587
  C      -3.613891      1.748462     -0.567848
  C      -4.547669      4.814497      4.700186
  C      -5.467603      4.372789      3.573923
  C      -4.724934      3.740733      2.405787
  O      -5.555333      3.713118      1.221158
  C      -5.588935      4.794066      0.430060
  C      -4.866576      5.967849      0.609139
  C      -4.945745      6.980017     -0.369425
  N      -5.668149      6.925690     -1.478206
  C      -6.413380      5.792635     -1.653044
  C      -7.216339      5.665937     -2.813157
  C      -7.967732      4.525168     -2.994672
  C      -7.923571      3.515614     -2.006790
  N      -7.191493      3.589364     -0.907059
  C      -6.433939      4.701219     -0.728933
  C      -6.546945      1.129776      7.328873
  C      -7.257521      2.378138      7.889002
  C      -8.727232      2.436712      7.522098
  O      -8.792906      2.669246      6.100999
  C     -10.000731      2.718972      5.513160
  C     -11.221839      2.614369      6.163896
  C     -12.409924      2.686499      5.403459
  N     -12.473146      2.843449      4.091329
  C     -11.276682      2.942540      3.434798
  C     -11.269913      3.098191      2.026187
  C     -10.065794      3.182007      1.363181
  C      -8.864387      3.121287      2.107265
  N      -8.822197      2.992560      3.425703
  C     -10.004574      2.894061      4.087153
  H      -2.544356     -1.538827      4.668148
  H      -3.809890     -0.669787      3.788379
  H      -0.817918     -0.335379      3.179311
  H      -1.866523     -1.502084      2.368408
  H      -1.526556      0.660723      1.084622
  H      -2.385861      1.526717      2.381914
  H      -5.415930     -1.051551      0.166000
  H      -6.420851     -0.453731     -2.029796
  H      -4.397175      3.376675     -3.475596
  H      -2.651471      4.928337     -2.509841
  H      -1.614732      4.337747     -0.309797
  H      -3.805150      5.523005      4.275055
  H      -5.143135      5.406035      5.425979
  H      -5.978853      5.279379      3.210896
  H      -6.259460      3.699680      3.934154
  H      -4.487196      2.690362      2.591500
  H      -3.780577      4.261937      2.184462
  H      -4.229395      6.121092      1.477691
  H      -4.359784      7.893649     -0.220741
  H      -7.213559      6.484756     -3.534801
  H      -8.593528      4.392597     -3.878225
  H      -8.514570      2.603112     -2.133515
  H      -6.794392      0.258386      7.970023
  H      -6.940415      0.921834      6.325737
  H      -6.762122      3.276897      7.485530
  H      -7.173875      2.424528      8.985901
  H      -9.240716      3.257871      8.050266
  H      -9.245307      1.490886      7.761453
  H     -11.287695      2.478762      7.241934
  H     -13.368721      2.605750      5.927158
  H     -12.229165      3.144303      1.507520
  H     -10.016763      3.296265      0.279493
  H      -7.905377      3.177915      1.584944
  N      -5.407039      1.262830      4.308848
  N      -6.175825      0.833498      3.571807
100
Coordinates from ORCA-job orca E -6483.724518578296
  N      -2.631966      0.545217      5.013926
  Mo     -4.065150      1.795700      5.624711
  N      -5.111401      1.283782      7.228971
  C      -4.452500      1.382255      8.531253
  C      -2.945137      1.289182      8.349219
  N      -2.530242      2.132143      7.198553
  C      -1.227249      1.717343      6.623350
  C      -1.410521      0.450328      5.807012
  C      -2.553018      3.579041      7.519568
  C      -2.766223      4.378048      6.244717
  N      -3.819978      3.766308      5.425012
  H      -0.515262      0.315970      5.172293
  H      -1.447859     -0.442898      6.466667
  H      -0.898181      2.531662      5.963330
  H      -0.471035      1.588355      7.418637
  H      -3.050233      5.405614      6.539040
  H      -1.823607      4.476896      5.669355
  H      -3.402489      3.751465      8.194078
  H      -1.627287      3.877016      8.045222
  H      -4.780962      0.560039      9.196834
  H      -4.718499      2.321803      9.057665
  H      -2.672714      0.254200      8.101748
  H      -2.402437      1.582858      9.265877
  C      -2.783973     -0.585989      4.101349
  C      -1.882008     -0.501624      2.858468
  C      -2.275195      0.594209      1.885197
  O      -3.560764      0.209087      1.333460
  C      -4.037329      0.653187      0.155044
  C      -5.088501     -0.086431     -0.377640
  C      -5.639735      0.261311     -1.618604
  N      -5.244168      1.285636     -2.364031
  C      -4.253301      2.057648     -1.839951
  C      -3.849887      3.212128     -2.557490
  C      -2.884437      4.040481     -2.034397
  C      -2.313096      3.707530     -0.785466
  N      -2.643499      2.637506     -0.080702
  C      -3.599899      1.806271     -0.581646
  C      -4.538210      4.817492      4.699884
  C      -5.464213      4.374632      3.577310
  C      -4.728103      3.732020      2.410903
  O      -5.562641      3.694395      1.229138
  C      -5.585122      4.762020      0.419519
  C      -4.856505      5.934217      0.582921
  C      -4.920241      6.927930     -0.415014
  N      -5.632956      6.857874     -1.529122
  C      -6.385606      5.727723     -1.689104
  C      -7.180988      5.586409     -2.852596
  C      -7.942040      4.449691     -3.018088
  C      -7.914877      3.458092     -2.010908
  N      -7.188288      3.545013     -0.907832
  C      -6.422011      4.653861     -0.744834
  C      -6.554816      1.128986      7.337918
  C      -7.260337      2.376360      7.905818
  C      -8.731159      2.435846      7.546773
  O      -8.800353      2.664459      6.126174
  C     -10.008957      2.714994      5.542105
  C     -11.228448      2.608366      6.195360
  C     -12.417967      2.677585      5.437128
  N     -12.483438      2.833032      4.125093
  C     -11.288053      2.934447      3.466740
  C     -11.283817      3.088516      2.058534
  C     -10.080516      3.177100      1.393818
  C      -8.877140      3.121172      2.136135
  N      -8.832968      2.991721      3.454470
  C     -10.014852      2.889837      4.116806
  H      -2.563501     -1.530185      4.639213
  H      -3.828491     -0.648615      3.770905
  H      -0.835378     -0.327622      3.156334
  H      -1.901218     -1.471006      2.334546
  H      -1.543748      0.698356      1.074094
  H      -2.373008      1.566015      2.389807
  H      -5.462132     -0.947493      0.176906
  H      -6.451208     -0.350319     -2.026322
  H      -4.347061      3.422494     -3.505960
  H      -2.573298      4.948974     -2.551653
  H      -1.553272      4.360470     -0.343671
  H      -3.787660      5.513335      4.267547
  H      -5.126217      5.422691      5.420459
  H      -5.970982      5.282128      3.210217
  H      -6.258999      3.706983      3.943038
  H      -4.490340      2.683619      2.606693
  H      -3.784015      4.249912      2.181559
  H      -4.224463      6.099223      1.453159
  H      -4.328266      7.839623     -0.278794
  H      -7.165392      6.391421     -3.589423
  H      -8.562804      4.306733     -3.903843
  H      -8.516075      2.550098     -2.124052
  H      -6.800653      0.255258      7.976441
  H      -6.953739      0.925422      6.336332
  H      -6.766497      3.275789      7.501996
  H      -7.171215      2.420284      9.002391
  H      -9.241143      3.258708      8.075744
  H      -9.249317      1.491146      7.790321
  H     -11.291769      2.471619      7.273482
  H     -13.375742      2.594610      5.962343
  H     -12.244074      3.129389      1.541161
  H     -10.033657      3.291192      0.309941
  H      -7.918755      3.179465      1.612065
  N      -5.428934      1.266921      4.324137
  N      -6.208128      0.826736      3.605209
100
Coordinates from ORCA-job orca E -6483.724629350178
  N      -2.632205      0.556278      5.009466
  Mo     -4.070101      1.794851      5.634436
  N      -5.114409      1.272331      7.237082
  C      -4.451911      1.358743      8.538316
  C      -2.943553      1.270957      8.350837
  N      -2.534659      2.126200      7.207072
  C      -1.231518      1.722782      6.625844
  C      -1.409447      0.462297      5.799646
  C      -2.565481      3.570665      7.540161
  C      -2.778034      4.377623      6.270288
  N      -3.825366      3.765634      5.440854
  H      -0.514161      0.339020      5.162597
  H      -1.440627     -0.436888      6.451399
  H      -0.907704      2.544794      5.972981
  H      -0.472557      1.589172      7.417689
  H      -3.068957      5.402315      6.568063
  H      -1.833324      4.484834      5.699856
  H      -3.418687      3.732981      8.212310
  H      -1.643737      3.868915      8.072578
  H      -4.776108      0.528189      9.195660
  H      -4.718238      2.291787      9.076157
  H      -2.669422      0.238868      8.093111
  H      -2.398574      1.558468      9.268030
  C      -2.779368     -0.569306      4.090826
  C      -1.887852     -0.464314      2.842267
  C      -2.286076      0.642887      1.884720
  O      -3.585021      0.279005      1.350865
  C      -4.044728      0.700986      0.157944
  C      -5.095551     -0.040067     -0.372498
  C      -5.629838      0.288998     -1.625887
  N      -5.218158      1.296886     -2.384876
  C      -4.230505      2.073780     -1.861523
  C      -3.815428      3.216134     -2.591857
  C      -2.857822      4.052719     -2.067455
  C      -2.306023      3.739952     -0.804573
  N      -2.646719      2.681369     -0.087817
  C      -3.594190      1.840965     -0.590876
  C      -4.528836      4.818004      4.702037
  C      -5.464805      4.375479      3.586439
  C      -4.740990      3.717841      2.419233
  O      -5.580670      3.681612      1.240065
  C      -5.573741      4.731769      0.407157
  C      -4.816362      5.888407      0.547854
  C      -4.854457      6.862883     -0.469716
  N      -5.570148      6.790641     -1.581809
  C      -6.353241      5.678603     -1.719547
  C      -7.158427      5.539488     -2.876532
  C      -7.954101      4.423259     -3.017261
  C      -7.950503      3.449082     -1.993256
  N      -7.214282      3.533766     -0.895836
  C      -6.415606      4.623407     -0.755313
  C      -6.558477      1.118928      7.343991
  C      -7.264577      2.364724      7.915365
  C      -8.736753      2.422904      7.558365
  O      -8.809214      2.651615      6.137653
  C     -10.019133      2.707846      5.555583
  C     -11.237440      2.595245      6.210085
  C     -12.428602      2.668703      5.454594
  N     -12.496833      2.833001      4.143720
  C     -11.302793      2.941341      3.483838
  C     -11.300851      3.106022      2.076563
  C     -10.098786      3.201736      1.410660
  C      -8.894152      3.145182      2.150720
  N      -8.848363      3.005500      3.467860
  C     -10.028264      2.894955      4.131541
  H      -2.543269     -1.515647      4.618180
  H      -3.826292     -0.641308      3.768736
  H      -0.838999     -0.292748      3.134074
  H      -1.911491     -1.427255      2.306599
  H      -1.567146      0.743371      1.062562
  H      -2.363827      1.612038      2.397710
  H      -5.481001     -0.888844      0.192828
  H      -6.440292     -0.324711     -2.032401
  H      -4.298027      3.410862     -3.551016
  H      -2.537618      4.951963     -2.595093
  H      -1.553710      4.400491     -0.361455
  H      -3.769349      5.496175      4.256887
  H      -5.103326      5.442168      5.417239
  H      -5.963901      5.285337      3.214376
  H      -6.263394      3.718032      3.960556
  H      -4.513942      2.668336      2.621571
  H      -3.792360      4.224125      2.183015
  H      -4.179547      6.055253      1.414641
  H      -4.238731      7.761202     -0.351210
  H      -7.123341      6.330347     -3.627806
  H      -8.584210      4.282714     -3.896722
  H      -8.580507      2.558419     -2.087244
  H      -6.806450      0.243005      7.978595
  H      -6.957164      0.919695      6.341718
  H      -6.772970      3.265845      7.512801
  H      -7.173732      2.406332      9.011867
  H      -9.246712      3.245493      8.087774
  H      -9.253507      1.477933      7.803722
  H     -11.298559      2.449635      7.287322
  H     -13.385291      2.581638      5.981094
  H     -12.261177      3.146535      1.559318
  H     -10.054216      3.322211      0.327259
  H      -7.936623      3.207049      1.625655
  N      -5.445500      1.269607      4.343829
  N      -6.232871      0.832383      3.633277
100
Coordinates from ORCA-job orca E -6483.724693832836
  N      -2.628509      0.553380      5.009332
  Mo     -4.067805      1.789079      5.633424
  N      -5.115782      1.268393      7.234367
  C      -4.457025      1.352210      8.537180
  C      -2.949274      1.264415      8.353098
  N      -2.538626      2.120918      7.211039
  C      -1.233793      1.718896      6.631726
  C      -1.407699      0.459289      5.802830
  C      -2.571296      3.565200      7.544184
  C      -2.779123      4.373354      6.273678
  N      -3.821812      3.760532      5.438788
  H      -0.510662      0.339435      5.167284
  H      -1.438695     -0.441451      6.452436
  H      -0.909364      2.542288      5.980870
  H      -0.475892      1.584457      7.424609
  H      -3.072641      5.397713      6.569939
  H      -1.832312      4.482111      5.706956
  H      -3.427480      3.725786      8.212902
  H      -1.652338      3.863467      8.081158
  H      -4.782940      0.521007      9.192826
  H      -4.723903      2.284842      9.075491
  H      -2.674689      0.232477      8.095384
  H      -2.406485      1.551323      9.271906
  C      -2.776751     -0.569522      4.087396
  C      -1.884362     -0.464087      2.839689
  C      -2.271191      0.652856      1.888869
  O      -3.581600      0.314799      1.364612
  C      -4.029860      0.723204      0.161827
  C      -5.079911     -0.019005     -0.368069
  C      -5.604458      0.299617     -1.628396
  N      -5.183954      1.298454     -2.394486
  C      -4.197037      2.077125     -1.872060
  C      -3.772839      3.210955     -2.610501
  C      -2.817231      4.050173     -2.086721
  C      -2.275976      3.748257     -0.816591
  N      -2.624340      2.697149     -0.092694
  C      -3.570356      1.854291     -0.594941
  C      -4.515069      4.814159      4.692084
  C      -5.460952      4.376833      3.583214
  C      -4.751003      3.711497      2.412942
  O      -5.599178      3.685313      1.240000
  C      -5.583859      4.732332      0.403832
  C      -4.818215      5.883900      0.539759
  C      -4.847129      6.853285     -0.482700
  N      -5.561511      6.780735     -1.595607
  C      -6.353246      5.674350     -1.728164
  C      -7.155523      5.533823     -2.886860
  C      -7.960043      4.423474     -3.022226
  C      -7.968331      3.456803     -1.990784
  N      -7.233327      3.541791     -0.893369
  C      -6.425622      4.624993     -0.758046
  C      -6.560224      1.118737      7.339591
  C      -7.261232      2.368262      7.910427
  C      -8.735399      2.430272      7.560952
  O      -8.816382      2.655975      6.140037
  C     -10.030316      2.708728      5.566477
  C     -11.242700      2.591852      6.230907
  C     -12.440657      2.659833      5.485954
  N     -12.520687      2.822305      4.175653
  C     -11.332552      2.936122      3.505891
  C     -11.343896      3.099289      2.098802
  C     -10.148376      3.201796      1.422028
  C      -8.937166      3.152188      2.151461
  N      -8.878770      3.012975      3.468310
  C     -10.051971      2.896733      4.142520
  H      -2.541851     -1.517885      4.611593
  H      -3.823644     -0.639074      3.764457
  H      -0.834268     -0.303358      3.133647
  H      -1.916497     -1.423704      2.298198
  H      -1.556398      0.741179      1.061798
  H      -2.327196      1.622295      2.403993
  H      -5.473167     -0.859996      0.203495
  H      -6.414740     -0.314777     -2.034253
  H      -4.246514      3.396563     -3.575873
  H      -2.489510      4.942579     -2.621271
  H      -1.525609      4.411567     -0.373940
  H      -3.748550      5.478644      4.238213
  H      -5.077940      5.452080      5.404091
  H      -5.953621      5.290616      3.211999
  H      -6.262796      3.726799      3.962587
  H      -4.535564      2.658624      2.613075
  H      -3.798266      4.207256      2.171560
  H      -4.181107      6.050912      1.406193
  H      -4.224941      7.747608     -0.367458
  H      -7.110313      6.318432     -3.644142
  H      -8.586858      4.281398     -3.903817
  H      -8.605449      2.571073     -2.079498
  H      -6.811790      0.244614      7.975175
  H      -6.959788      0.918549      6.337807
  H      -6.769099      3.267036      7.503475
  H      -7.165179      2.411825      9.006441
  H      -9.240741      3.255775      8.090134
  H      -9.252877      1.487206      7.811790
  H     -11.293793      2.447376      7.308767
  H     -13.392383      2.569538      6.020866
  H     -12.309247      3.132334      1.590491
  H     -10.114376      3.322597      0.338299
  H      -7.984740      3.220230      1.618266
  N      -5.446864      1.266366      4.344655
  N      -6.238493      0.836426      3.634758
100
Coordinates from ORCA-job orca E -6483.724719181389
  N      -2.648344      0.540768      5.005029
  Mo     -4.077827      1.786199      5.632943
  N      -5.116926      1.282057      7.244763
  C      -4.446554      1.370143      8.541751
  C      -2.939926      1.271808      8.345462
  N      -2.533014      2.117757      7.194664
  C      -1.235760      1.704228      6.608789
  C      -1.423695      0.441104      5.790011
  C      -2.554518      3.564615      7.518530
  C      -2.766379      4.365758      6.244925
  N      -3.818979      3.754943      5.421623
  H      -0.531825      0.312412      5.148739
  H      -1.456140     -0.456153      6.444166
  H      -0.911159      2.521568      5.950393
  H      -0.472401      1.569821      7.396487
  H      -3.051178      5.394299      6.535175
  H      -1.822847      4.463729      5.670588
  H      -3.405729      3.734372      8.191319
  H      -1.630513      3.860251      8.047983
  H      -4.770330      0.544413      9.205373
  H      -4.704177      2.307356      9.076883
  H      -2.673980      0.236531      8.092358
  H      -2.387997      1.561037      9.258278
  C      -2.811580     -0.585815      4.089902
  C      -1.914962     -0.499122      2.843045
  C      -2.271953      0.629754      1.895922
  O      -3.598422      0.341039      1.383660
  C      -4.028509      0.758268      0.177383
  C      -5.086260      0.037955     -0.366559
  C      -5.597760      0.378965     -1.626699
  N      -5.156486      1.379616     -2.378883
  C      -4.160227      2.136535     -1.841931
  C      -3.713833      3.272451     -2.563709
  C      -2.749231      4.090551     -2.023118
  C      -2.221387      3.765238     -0.753026
  N      -2.590770      2.711163     -0.044445
  C      -3.545550      1.889091     -0.563897
  C      -4.504682      4.809887      4.670042
  C      -5.471097      4.376997      3.577806
  C      -4.784270      3.695454      2.402339
  O      -5.644407      3.681399      1.237653
  C      -5.615175      4.723848      0.397306
  C      -4.833663      5.864738      0.530860
  C      -4.848909      6.833191     -0.492797
  N      -5.563431      6.768225     -1.605747
  C      -6.368741      5.671409     -1.737155
  C      -7.169151      5.538826     -2.897899
  C      -7.988159      4.439746     -3.033534
  C      -8.013232      3.475914     -2.000015
  N      -7.280587      3.552881     -0.900260
  C      -6.457701      4.624942     -0.764968
  C      -6.561495      1.144462      7.360826
  C      -7.252376      2.407509      7.912276
  C      -8.727218      2.467424      7.566885
  O      -8.810870      2.664259      6.141671
  C     -10.025437      2.707420      5.568508
  C     -11.237494      2.608634      6.236745
  C     -12.436108      2.661023      5.491713
  N     -12.517156      2.791002      4.177748
  C     -11.329557      2.886063      3.504123
  C     -11.342284      3.011606      2.093223
  C     -10.147383      3.090698      1.411929
  C      -8.935596      3.058779      2.140959
  N      -8.875858      2.957273      3.461348
  C     -10.048231      2.861287      4.140154
  H      -2.588335     -1.534668      4.618270
  H      -3.859243     -0.644031      3.767998
  H      -0.862221     -0.363358      3.140090
  H      -1.968641     -1.456237      2.298902
  H      -1.561334      0.693661      1.062958
  H      -2.290683      1.599590      2.412045
  H      -5.498268     -0.800956      0.194682
  H      -6.415722     -0.217177     -2.044125
  H      -4.177126      3.476120     -3.530504
  H      -2.403470      4.983613     -2.545045
  H      -1.464088      4.411628     -0.297452
  H      -3.733047      5.455857      4.198017
  H      -5.046939      5.466218      5.381152
  H      -5.956746      5.295001      3.207160
  H      -6.276108      3.740074      3.971604
  H      -4.587211      2.638938      2.601053
  H      -3.826032      4.174529      2.150269
  H      -4.195902      6.025464      1.398039
  H      -4.214968      7.719315     -0.378318
  H      -7.110869      6.321035     -3.656765
  H      -8.613797      4.304838     -3.917193
  H      -8.662039      2.599100     -2.089174
  H      -6.815614      0.282836      8.012376
  H      -6.968233      0.929882      6.364540
  H      -6.757944      3.295588      7.484830
  H      -7.150885      2.471885      9.006691
  H      -9.229731      3.304508      8.080389
  H      -9.245697      1.530272      7.837605
  H     -11.287543      2.490992      7.317872
  H     -13.387352      2.586546      6.029760
  H     -12.308643      3.033222      1.586075
  H     -10.114590      3.180125      0.325166
  H      -7.983473      3.109816      1.605361
  N      -5.460722      1.271637      4.343892
  N      -6.254901      0.844974      3.634161
100
Coordinates from ORCA-job orca E -6483.724737852430
  N      -2.657264      0.551235      5.000895
  Mo     -4.090385      1.788723      5.637313
  N      -5.116228      1.275532      7.253224
  C      -4.438162      1.366732      8.546516
  C      -2.931851      1.278859      8.341399
  N      -2.536856      2.128683      7.188789
  C      -1.240828      1.723675      6.594425
  C      -1.426604      0.458627      5.777560
  C      -2.564708      3.574848      7.514748
  C      -2.790265      4.376415      6.244261
  N      -3.843982      3.760788      5.426640
  H      -0.538381      0.335116      5.130278
  H      -1.449309     -0.438712      6.432083
  H      -0.926425      2.542595      5.932995
  H      -0.471107      1.595593      7.377055
  H      -3.079253      5.402624      6.538528
  H      -1.850928      4.481151      5.664137
  H      -3.411766      3.739075      8.194306
  H      -1.638229      3.874885      8.037436
  H      -4.753057      0.539175      9.212002
  H      -4.698632      2.302284      9.082949
  H      -2.660265      0.245693      8.085852
  H      -2.377144      1.570461      9.251788
  C      -2.820737     -0.578728      4.088553
  C      -1.925729     -0.497393      2.839704
  C      -2.284852      0.623780      1.883940
  O      -3.609836      0.328156      1.371544
  C      -4.036645      0.737226      0.161027
  C      -5.083497      0.006374     -0.389595
  C      -5.590283      0.343124     -1.653104
  N      -5.152710      1.347181     -2.402989
  C      -4.164072      2.110909     -1.861616
  C      -3.719031      3.247727     -2.582742
  C      -2.760818      4.070709     -2.038190
  C      -2.237629      3.749216     -0.765114
  N      -2.605723      2.694254     -0.057211
  C      -3.555691      1.868811     -0.579809
  C      -4.535511      4.811715      4.675642
  C      -5.486500      4.371662      3.573756
  C      -4.779951      3.704474      2.401661
  O      -5.625812      3.689759      1.225748
  C      -5.597446      4.734981      0.388479
  C      -4.822135      5.879664      0.529044
  C      -4.830721      6.847609     -0.495688
  N      -5.531491      6.776806     -1.617059
  C      -6.330556      5.676108     -1.755449
  C      -7.112827      5.535555     -2.927869
  C      -7.924391      4.431919     -3.071975
  C      -7.961996      3.473421     -2.034573
  N      -7.247016      3.557624     -0.924457
  C      -6.428576      4.632048     -0.781322
  C      -6.560160      1.131496      7.376168
  C      -7.256705      2.385709      7.941422
  C      -8.732448      2.443555      7.596976
  O      -8.818975      2.665234      6.174875
  C     -10.033648      2.698356      5.599750
  C     -11.246137      2.569825      6.262734
  C     -12.443540      2.617461      5.515073
  N     -12.523500      2.770601      4.203265
  C     -11.335873      2.896077      3.534762
  C     -11.346635      3.049667      2.125966
  C     -10.151715      3.163455      1.450352
  C      -8.942210      3.134897      2.182331
  N      -8.884131      3.006243      3.500363
  C     -10.055934      2.877602      4.174058
  H      -2.594001     -1.525130      4.619995
  H      -3.868716     -0.640533      3.769514
  H      -0.873664     -0.356815      3.136997
  H      -1.975996     -1.458217      2.301923
  H      -1.573276      0.681544      1.050650
  H      -2.305502      1.598347      2.391136
  H      -5.492421     -0.835316      0.169739
  H      -6.400616     -0.259871     -2.075550
  H      -4.178497      3.448319     -3.552027
  H      -2.417092      4.965245     -2.559022
  H      -1.485877      4.399796     -0.306282
  H      -3.767536      5.468562      4.212627
  H      -5.091002      5.458774      5.385213
  H      -5.980845      5.284713      3.202894
  H      -6.286028      3.722381      3.957821
  H      -4.576687      2.648160      2.593783
  H      -3.822985      4.193460      2.164539
  H      -4.192531      6.042445      1.401519
  H      -4.201670      7.736516     -0.375674
  H      -7.046590      6.315220     -3.688764
  H      -8.535982      4.290489     -3.964051
  H      -8.607477      2.594215     -2.128856
  H      -6.806649      0.263645      8.022368
  H      -6.969947      0.922595      6.379823
  H      -6.765948      3.280686      7.524371
  H      -7.155146      2.437565      9.036506
  H      -9.239582      3.269112      8.124226
  H      -9.245266      1.498891      7.851579
  H     -11.297712      2.432775      7.341640
  H     -13.394885      2.517959      6.048979
  H     -12.311671      3.068110      1.616378
  H     -10.117318      3.277855      0.366065
  H      -7.989805      3.216769      1.651405
  N      -5.474146      1.275900      4.349344
  N      -6.267031      0.857347      3.633575
100
Coordinates from ORCA-job orca E -6483.724757772356
  N      -2.648734      0.552762      5.003745
  Mo     -4.083216      1.787916      5.637821
  N      -5.116947      1.270291      7.248376
  C      -4.448476      1.359368      8.546095
  C      -2.942731      1.271735      8.350609
  N      -2.540780      2.123206      7.201803
  C      -1.240326      1.718478      6.613547
  C      -1.422117      0.456340      5.788404
  C      -2.569426      3.568356      7.530109
  C      -2.788600      4.373506      6.260182
  N      -3.838955      3.760635      5.436751
  H      -0.530150      0.334168      5.146368
  H      -1.449607     -0.443278      6.439698
  H      -0.920263      2.539362      5.957363
  H      -0.476618      1.586882      7.401369
  H      -3.078358      5.398523      6.558203
  H      -1.847066      4.480696      5.684067
  H      -3.419198      3.731818      8.206503
  H      -1.644946      3.867305      8.057139
  H      -4.768769      0.531016      9.207963
  H      -4.712141      2.294112      9.082261
  H      -2.669539      0.239043      8.094611
  H      -2.393599      1.561300      9.264878
  C      -2.810740     -0.570696      4.082795
  C      -1.916660     -0.486338      2.833643
  C      -2.277871      0.640160      1.883095
  O      -3.602643      0.342026      1.368848
  C      -4.036604      0.747322      0.158677
  C      -5.081439      0.008320     -0.384828
  C      -5.597654      0.338618     -1.646203
  N      -5.170800      1.342914     -2.401314
  C      -4.183628      2.114069     -1.868262
  C      -3.749431      3.250526     -2.596608
  C      -2.792135      4.080471     -2.061501
  C      -2.259323      3.766876     -0.790538
  N      -2.617670      2.712840     -0.075476
  C      -3.566622      1.880024     -0.588886
  C      -4.527782      4.812595      4.686144
  C      -5.473835      4.372164      3.580656
  C      -4.761835      3.708707      2.411003
  O      -5.609397      3.683998      1.237564
  C      -5.586069      4.726267      0.396894
  C      -4.808667      5.870879      0.527009
  C      -4.825881      6.835213     -0.501053
  N      -5.537295      6.760741     -1.615765
  C      -6.338831      5.660388     -1.742335
  C      -7.134506      5.516943     -2.905443
  C      -7.949029      4.413588     -3.036545
  C      -7.976482      3.459242     -1.994380
  N      -7.249849      3.547040     -0.892383
  C      -6.428135      4.620290     -0.763415
  C      -6.561169      1.125946      7.365279
  C      -7.257769      2.381015      7.928677
  C      -8.731828      2.443762      7.579945
  O      -8.812864      2.665092      6.157968
  C     -10.025911      2.705026      5.581562
  C     -11.239907      2.588273      6.243703
  C     -12.435869      2.643997      5.494554
  N     -12.512911      2.795133      4.182516
  C     -11.323467      2.908399      3.515156
  C     -11.331619      3.060299      2.106515
  C     -10.134924      3.162835      1.432012
  C      -8.926032      3.124377      2.165262
  N      -8.870130      2.995814      3.483403
  C     -10.044486      2.879315      4.155630
  H      -2.588445     -1.520427      4.610440
  H      -3.857969     -0.627293      3.760596
  H      -0.863729     -0.349183      3.129113
  H      -1.969100     -1.444949      2.292326
  H      -1.566147      0.704131      1.050192
  H      -2.300968      1.612481      2.394740
  H      -5.480955     -0.835441      0.178240
  H      -6.405640     -0.271418     -2.062972
  H      -4.216502      3.445396     -3.563391
  H      -2.457491      4.975441     -2.587454
  H      -1.507706      4.423362     -0.339720
  H      -3.758314      5.471881      4.229034
  H      -5.088521      5.456757      5.394489
  H      -5.970623      5.283910      3.210324
  H      -6.272712      3.718835      3.961566
  H      -4.548050      2.655335      2.606728
  H      -3.809478      4.205661      2.171326
  H      -4.170141      6.034868      1.392873
  H      -4.195229      7.724126     -0.390077
  H      -7.076328      6.294175     -3.669476
  H      -8.571169      4.270029     -3.921082
  H      -8.625235      2.581188     -2.076368
  H      -6.810348      0.257950      8.010243
  H      -6.966778      0.917419      6.367263
  H      -6.763321      3.275242      7.514488
  H      -7.160051      2.431704      9.024188
  H      -9.236739      3.271525      8.105832
  H      -9.249628      1.501506      7.833186
  H     -11.293739      2.454362      7.322961
  H     -13.388677      2.553222      6.027442
  H     -12.296256      3.087182      1.596483
  H     -10.098307      3.275555      0.347592
  H      -7.972274      3.195776      1.635002
  N      -5.466836      1.271671      4.351266
  N      -6.261856      0.850450      3.639166
100
Coordinates from ORCA-job orca E -6483.724776755400
  N      -2.638147      0.547547      5.003524
  Mo     -4.075934      1.780535      5.636663
  N      -5.114486      1.261568      7.243949
  C      -4.447815      1.345144      8.542957
  C      -2.940851      1.257484      8.349096
  N      -2.536632      2.112695      7.203825
  C      -1.234429      1.711044      6.618385
  C      -1.413024      0.451429      5.789787
  C      -2.568537      3.557133      7.536009
  C      -2.782952      4.364247      6.266657
  N      -3.831294      3.752621      5.438912
  H      -0.519601      0.331884      5.149276
  H      -1.440512     -0.449741      6.438938
  H      -0.912640      2.534046      5.965785
  H      -0.473151      1.577140      7.408064
  H      -3.073343      5.389137      6.564683
  H      -1.839396      4.471557      5.693993
  H      -3.422342      3.717967      8.207860
  H      -1.647344      3.856069      8.068813
  H      -4.769067      0.513628      9.200452
  H      -4.711897      2.277288      9.083540
  H      -2.667797      0.225538      8.089761
  H      -2.392705      1.543920      9.264884
  C      -2.795717     -0.576601      4.083675
  C      -1.903641     -0.486220      2.834038
  C      -2.268906      0.641675      1.887400
  O      -3.595577      0.345263      1.378052
  C      -4.025799      0.746561      0.165761
  C      -5.067788      0.005884     -0.380464
  C      -5.579983      0.334591     -1.643881
  N      -5.152169      1.339408     -2.397743
  C      -4.168374      2.112751     -1.861320
  C      -3.734816      3.250749     -2.587634
  C      -2.782180      4.083411     -2.048353
  C      -2.253956      3.771335     -0.775085
  N      -2.612064      2.716275     -0.061485
  C      -3.555333      1.880011     -0.579813
  C      -4.519243      4.806059      4.688860
  C      -5.473719      4.368009      3.588531
  C      -4.769957      3.707315      2.411919
  O      -5.626365      3.679187      1.244239
  C      -5.614886      4.723568      0.405223
  C      -4.856329      5.879838      0.543057
  C      -4.885940      6.848905     -0.479736
  N      -5.592248      6.769309     -1.597268
  C      -6.374747      5.656677     -1.733105
  C      -7.164607      5.507672     -2.899473
  C      -7.960943      4.392229     -3.040139
  C      -7.976228      3.430862     -2.004270
  N      -7.253552      3.523419     -0.899441
  C      -6.449854      4.609284     -0.760589
  C      -6.560333      1.128785      7.354307
  C      -7.249148      2.391968      7.908370
  C      -8.723866      2.458895      7.563494
  O      -8.807526      2.667273      6.139726
  C     -10.022320      2.721222      5.568273
  C     -11.234314      2.621458      6.236165
  C     -12.432906      2.688208      5.492148
  N     -12.514166      2.835038      4.179933
  C     -11.326590      2.932530      3.506877
  C     -11.338819      3.079523      2.097771
  C     -10.143788      3.167265      1.418136
  C      -8.932035      3.118751      2.146432
  N      -8.872670      2.993424      3.464628
  C     -10.045316      2.891635      4.141959
  H      -2.567386     -1.525234      4.610730
  H      -3.843317     -0.638957      3.763087
  H      -0.850392     -0.347358      3.127832
  H      -1.955600     -1.443517      2.290400
  H      -1.560989      0.707906      1.051746
  H      -2.290426      1.612743      2.401676
  H      -5.467777     -0.838221      0.181753
  H      -6.386058     -0.276463     -2.062854
  H      -4.198268      3.444204     -3.556387
  H      -2.447303      4.978895     -2.573195
  H      -1.505686      4.429676     -0.321569
  H      -3.749487      5.461468      4.226661
  H      -5.073236      5.453908      5.399210
  H      -5.973470      5.280430      3.223803
  H      -6.269091      3.713465      3.973958
  H      -4.548721      2.655161      2.607085
  H      -3.822267      4.209199      2.164507
  H      -4.224543      6.050736      1.412537
  H      -4.270437      7.747418     -0.361551
  H      -7.116959      6.290743     -3.658224
  H      -8.578179      4.244199     -3.927433
  H      -8.610895      2.543242     -2.094304
  H      -6.819544      0.265892      8.002167
  H      -6.962825      0.918978      6.355415
  H      -6.751782      3.280321      7.485184
  H      -7.147718      2.451659      9.003126
  H      -9.222292      3.294390      8.083389
  H      -9.246495      1.522235      7.827454
  H     -11.284322      2.491604      7.315868
  H     -13.384314      2.610525      6.029565
  H     -12.304773      3.114493      1.590694
  H     -10.110728      3.275719      0.333110
  H      -7.979437      3.178015      1.612427
  N      -5.453389      1.262768      4.343968
  N      -6.244796      0.836920      3.631171
100
Coordinates from ORCA-job orca E -6483.724773844327
  N      -2.655554      0.554580      4.994016
  Mo     -4.089807      1.787684      5.634929
  N      -5.118553      1.268110      7.248195
  C      -4.443390      1.352479      8.542981
  C      -2.937331      1.265110      8.340119
  N      -2.540581      2.120278      7.192329
  C      -1.242630      1.718682      6.598638
  C      -1.426377      0.458229      5.773096
  C      -2.569926      3.564711      7.524652
  C      -2.792576      4.371974      6.257199
  N      -3.844523      3.760253      5.434593
  H      -0.536669      0.337927      5.127450
  H      -1.450699     -0.442354      6.423122
  H      -0.926346      2.541301      5.942819
  H      -0.475683      1.586230      7.383047
  H      -3.082589      5.396420      6.557369
  H      -1.852210      4.480950      5.679452
  H      -3.418731      3.725723      8.202698
  H      -1.644873      3.863380      8.050752
  H      -4.760456      0.521478      9.203179
  H      -4.704476      2.285168      9.084193
  H      -2.665386      0.233164      8.079618
  H      -2.383824      1.552003      9.252621
  C      -2.819529     -0.571249      4.077611
  C      -1.926155     -0.488340      2.828367
  C      -2.280458      0.642352      1.881585
  O      -3.613194      0.364527      1.378303
  C      -4.033681      0.762376      0.161630
  C      -5.076111      0.026282     -0.389522
  C      -5.578303      0.355801     -1.656957
  N      -5.140556      1.357605     -2.409243
  C      -4.156335      2.126926     -1.867468
  C      -3.713013      3.262689     -2.591335
  C      -2.759973      4.091121     -2.045967
  C      -2.241216      3.776767     -0.769350
  N      -2.608694      2.723652     -0.058008
  C      -3.552576      1.892070     -0.582213
  C      -4.528004      4.814327      4.681112
  C      -5.485124      4.377992      3.582664
  C      -4.785882      3.697984      2.414183
  O      -5.635852      3.679976      1.241646
  C      -5.602094      4.719166      0.397019
  C      -4.824784      5.863346      0.531286
  C      -4.830020      6.824235     -0.499798
  N      -5.529728      6.747528     -1.621652
  C      -6.331476      5.648160     -1.753307
  C      -7.114243      5.502142     -2.924637
  C      -7.929249      4.399983     -3.061342
  C      -7.970500      3.448996     -2.016639
  N      -7.254622      3.538383     -0.906921
  C      -6.432376      4.610856     -0.772458
  C      -6.563050      1.130848      7.369347
  C      -7.252395      2.389654      7.932488
  C      -8.727771      2.454105      7.590491
  O      -8.814345      2.670496      6.168083
  C     -10.029723      2.710974      5.596472
  C     -11.241023      2.596638      6.263848
  C     -12.439933      2.649411      5.519249
  N     -12.522153      2.794576      4.206872
  C     -11.335434      2.905412      3.534320
  C     -11.348977      3.048630      2.124850
  C     -10.154772      3.145973      1.444971
  C      -8.942861      3.112593      2.173723
  N      -8.882311      2.993529      3.492546
  C     -10.054023      2.880812      4.170017
  H      -2.595745     -1.519878      4.606523
  H      -3.867522     -0.628926      3.757484
  H      -0.871819     -0.358378      3.122651
  H      -1.986241     -1.445324      2.285005
  H      -1.575246      0.697030      1.042876
  H      -2.286430      1.614399      2.393908
  H      -5.484472     -0.814499      0.171601
  H      -6.385020     -0.251462     -2.080224
  H      -4.169402      3.458110     -3.563089
  H      -2.417638      4.985054     -2.568673
  H      -1.493307      4.431841     -0.310769
  H      -3.754717      5.463090      4.215509
  H      -5.077315      5.468691      5.388971
  H      -5.972776      5.293118      3.207995
  H      -6.289649      3.737129      3.971563
  H      -4.586470      2.642350      2.615158
  H      -3.827253      4.180065      2.170067
  H      -4.196635      6.030429      1.404108
  H      -4.200139      7.713106     -0.384460
  H      -7.045908      6.276649     -3.690556
  H      -8.540885      4.254237     -3.952914
  H      -8.620386      2.572421     -2.104019
  H      -6.814305      0.264995      8.016347
  H      -6.972737      0.922983      6.372889
  H      -6.757724      3.281218      7.512705
  H      -7.149048      2.443822      9.027317
  H      -9.228831      3.284422      8.116153
  H      -9.246160      1.513617      7.849188
  H     -11.290450      2.466173      7.343630
  H     -13.390625      2.561196      6.056276
  H     -12.315469      3.071174      1.618051
  H     -10.122355      3.250259      0.359511
  H      -7.990862      3.178391      1.639266
  N      -5.474991      1.275619      4.347920
  N      -6.271278      0.854534      3.637098
100
Coordinates from ORCA-job orca E -6483.724788787285
  N      -2.647731      0.552547      4.999631
  Mo     -4.084020      1.784824      5.637020
  N      -5.115024      1.265036      7.248539
  C      -4.443200      1.350977      8.544800
  C      -2.937048      1.264766      8.345251
  N      -2.538622      2.119773      7.197811
  C      -1.238802      1.719126      6.606880
  C      -1.419495      0.458121      5.780860
  C      -2.570004      3.564181      7.529520
  C      -2.791705      4.371058      6.261448
  N      -3.842199      3.758274      5.437759
  H      -0.528676      0.338780      5.136595
  H      -1.443626     -0.442310      6.431136
  H      -0.921790      2.541820      5.951494
  H      -0.473562      1.587811      7.393148
  H      -3.082573      5.395281      6.561417
  H      -1.850861      4.480611      5.684671
  H      -3.420050      3.724513      8.206206
  H      -1.646094      3.864033      8.056981
  H      -4.761208      0.520330      9.204970
  H      -4.706195      2.283934      9.084566
  H      -2.663600      0.232946      8.085849
  H      -2.385857      1.552479      9.258896
  C      -2.810244     -0.574454      4.083983
  C      -1.918510     -0.492148      2.833422
  C      -2.278484      0.634758      1.883907
  O      -3.609997      0.348362      1.381444
  C      -4.036756      0.744681      0.166200
  C      -5.078059      0.003914     -0.380835
  C      -5.588068      0.332234     -1.645485
  N      -5.158667      1.336571     -2.399099
  C      -4.174845      2.109582     -1.861933
  C      -3.739039      3.246771     -2.588062
  C      -2.785768      4.078179     -2.047749
  C      -2.258809      3.765187     -0.774181
  N      -2.619149      2.710809     -0.060922
  C      -3.563758      1.876628     -0.579799
  C      -4.529139      4.811804      4.686709
  C      -5.479965      4.375041      3.583173
  C      -4.772615      3.711313      2.410337
  O      -5.622733      3.689527      1.238158
  C      -5.600493      4.733440      0.399317
  C      -4.830729      5.882352      0.536659
  C      -4.847649      6.849156     -0.488783
  N      -5.551658      6.773480     -1.608072
  C      -6.345342      5.668595     -1.742741
  C      -7.131572      5.523009     -2.911879
  C      -7.938664      4.415341     -3.051564
  C      -7.968589      3.458460     -2.011845
  N      -7.249635      3.547652     -0.904360
  C      -6.434723      4.625313     -0.767114
  C      -6.560044      1.128428      7.365717
  C      -7.250375      2.389519      7.922659
  C      -8.725097      2.454579      7.577654
  O      -8.808953      2.666991      6.154373
  C     -10.023391      2.710796      5.580918
  C     -11.236159      2.603113      6.246751
  C     -12.433799      2.660704      5.500434
  N     -12.513594      2.805182      4.187823
  C     -11.325433      2.909542      3.516758
  C     -11.336339      3.053043      2.107255
  C     -10.140785      3.144618      1.429020
  C      -8.930083      3.104656      2.159382
  N      -8.871867      2.984817      3.478216
  C     -10.045011      2.878462      4.154158
  H      -2.584803     -1.522028      4.614099
  H      -3.858306     -0.634082      3.764584
  H      -0.864320     -0.357928      3.126187
  H      -1.975931     -1.450802      2.292692
  H      -1.573551      0.691108      1.044938
  H      -2.289405      1.608077      2.393666
  H      -5.480028     -0.839056      0.181625
  H      -6.393868     -0.278549     -2.065425
  H      -4.201192      3.440806     -3.557367
  H      -2.449175      4.973317     -2.572156
  H      -1.510303      4.422599     -0.319783
  H      -3.758242      5.467722      4.227215
  H      -5.085072      5.459261      5.395782
  H      -5.976076      5.288235      3.215246
  H      -6.278768      3.723294      3.965820
  H      -4.559663      2.657253      2.604456
  H      -3.820195      4.207199      2.168750
  H      -4.199218      6.048367      1.407308
  H      -4.223765      7.741957     -0.371182
  H      -7.072284      6.302324     -3.673676
  H      -8.552999      4.270024     -3.941303
  H      -8.612338      2.577582     -2.100985
  H      -6.813830      0.264820      8.014732
  H      -6.966367      0.917327      6.368515
  H      -6.754202      3.279269      7.500848
  H      -7.149062      2.447354      9.017498
  H      -9.225774      3.287293      8.099842
  H      -9.245439      1.515691      7.838166
  H     -11.287665      2.474668      7.326686
  H     -13.385633      2.577644      6.036279
  H     -12.302002      3.080967      1.599177
  H     -10.106451      3.249491      0.343689
  H      -7.977027      3.166642      1.626523
  N      -5.465867      1.270991      4.347347
  N      -6.260169      0.852685      3.632750
100
Coordinates from ORCA-job orca E -6483.724792334911
  N      -2.644109      0.550242      4.998498
  Mo     -4.082070      1.780364      5.636483
  N      -5.115826      1.257835      7.245663
  C      -4.446011      1.340693      8.543100
  C      -2.939471      1.255195      8.345437
  N      -2.539393      2.112711      7.200402
  C      -1.238095      1.713872      6.611021
  C      -1.416807      0.454872      5.781288
  C      -2.572478      3.556523      7.534877
  C      -2.792195      4.365506      6.267748
  N      -3.841285      3.753687      5.441496
  H      -0.524978      0.337588      5.138117
  H      -1.441245     -0.447155      6.429396
  H      -0.919793      2.538274      5.958430
  H      -0.474578      1.580708      7.398643
  H      -3.083772      5.389147      6.569149
  H      -1.850443      4.476240      5.692735
  H      -3.424149      3.715106      8.209927
  H      -1.649912      3.856252      8.064822
  H      -4.764973      0.508253      9.200553
  H      -4.709860      2.272093      9.085118
  H      -2.665527      0.224028      8.083978
  H      -2.389476      1.540931      9.260374
  C      -2.803577     -0.573343      4.078090
  C      -1.909880     -0.486161      2.829240
  C      -2.268434      0.645572      1.884479
  O      -3.599454      0.361008      1.379134
  C      -4.025102      0.757440      0.163319
  C      -5.062941      0.013682     -0.386178
  C      -5.570745      0.340127     -1.652214
  N      -5.142290      1.345275     -2.405065
  C      -4.162008      2.121274     -1.865770
  C      -3.728179      3.259659     -2.591194
  C      -2.778954      4.094312     -2.048799
  C      -2.254134      3.783455     -0.773857
  N      -2.612848      2.728112     -0.060941
  C      -3.553467      1.890646     -0.581950
  C      -4.527724      4.807190      4.690364
  C      -5.478669      4.368701      3.587450
  C      -4.770930      3.705504      2.414626
  O      -5.623576      3.675606      1.244428
  C      -5.608168      4.717378      0.402491
  C      -4.845810      5.871677      0.536599
  C      -4.870309      6.836267     -0.490716
  N      -5.574805      6.753668     -1.609248
  C      -6.361180      5.643258     -1.741048
  C      -7.148251      5.490440     -2.908778
  C      -7.948024      4.376991     -3.045403
  C      -7.969806      3.421766     -2.004061
  N      -7.250019      3.517803     -0.897854
  C      -6.442331      4.601217     -0.763390
  C      -6.561633      1.125734      7.359657
  C      -7.248998      2.388834      7.915691
  C      -8.724019      2.457403      7.572345
  O      -8.809537      2.669910      6.149213
  C     -10.025074      2.722281      5.578808
  C     -11.236719      2.620428      6.247443
  C     -12.435804      2.687233      5.504165
  N     -12.518015      2.836032      4.192183
  C     -11.330976      2.935118      3.518395
  C     -11.344325      3.083842      2.109390
  C     -10.149874      3.171789      1.428897
  C      -8.937630      3.121919      2.156161
  N      -8.877096      2.996286      3.474329
  C     -10.049271      2.893995      4.152573
  H      -2.578903     -1.522571      4.605635
  H      -3.850821     -0.632375      3.755878
  H      -0.855855     -0.354306      3.123534
  H      -1.967546     -1.442345      2.284169
  H      -1.562543      0.706391      1.046624
  H      -2.280110      1.616488      2.399087
  H      -5.463441     -0.830701      0.175222
  H      -6.373484     -0.273338     -2.074107
  H      -4.188765      3.452122     -3.561542
  H      -2.444208      4.990519     -2.572528
  H      -1.508646      4.443431     -0.318148
  H      -3.756924      5.463215      4.230814
  H      -5.084123      5.454520      5.399267
  H      -5.976938      5.280701      3.219683
  H      -6.275795      3.715331      3.971294
  H      -4.551056      2.653548      2.612117
  H      -3.821981      4.206087      2.169199
  H      -4.214615      6.043579      1.406307
  H      -4.252083      7.733323     -0.375656
  H      -7.095582      6.268986     -3.671854
  H      -8.562861      4.225829     -3.933786
  H      -8.607720      2.536303     -2.090516
  H      -6.819418      0.262860      8.008083
  H      -6.966409      0.916179      6.361564
  H      -6.751234      3.277256      7.493011
  H      -7.146459      2.447229      9.010407
  H      -9.221419      3.291669      8.095232
  H      -9.246895      1.520269      7.834127
  H     -11.286264      2.489225      7.327110
  H     -13.386826      2.608186      6.042071
  H     -12.310757      3.119882      1.603313
  H     -10.117496      3.281511      0.343978
  H      -7.985551      3.181526      1.621358
  N      -5.461305      1.264965      4.344952
  N      -6.254453      0.842656      3.631837
100
Coordinates from ORCA-job orca E -6483.724795063588
  N      -2.645071      0.552889      4.997336
  Mo     -4.082976      1.782508      5.636431
  N      -5.115558      1.258699      7.245958
  C      -4.444971      1.340963      8.543000
  C      -2.938567      1.256019      8.344376
  N      -2.539593      2.114579      7.199756
  C      -1.238595      1.716852      6.609151
  C      -1.417133      0.458088      5.779105
  C      -2.572996      3.558064      7.535350
  C      -2.793966      4.367967      6.269059
  N      -3.843073      3.756303      5.442725
  H      -0.525737      0.341608      5.135171
  H      -1.440530     -0.444169      6.426932
  H      -0.921502      2.541798      5.956645
  H      -0.474325      1.583893      7.396070
  H      -3.086039      5.391144      6.571581
  H      -1.852601      4.479923      5.693620
  H      -3.424152      3.715773      8.211238
  H      -1.650128      3.857765      8.064762
  H      -4.763341      0.508087      9.200189
  H      -4.708730      2.272040      9.085640
  H      -2.664423      0.225122      8.082048
  H      -2.388121      1.541291      9.259199
  C      -2.805638     -0.571989      4.078816
  C      -1.913632     -0.486308      2.828726
  C      -2.273654      0.643867      1.882828
  O      -3.606149      0.359989      1.381156
  C      -4.031184      0.752976      0.164116
  C      -5.069072      0.008599     -0.384281
  C      -5.576788      0.333576     -1.650799
  N      -5.148297      1.337894     -2.404769
  C      -4.167920      2.114506     -1.866385
  C      -3.734062      3.252199     -2.592854
  C      -2.784584      4.087143     -2.051259
  C      -2.259576      3.777241     -0.776149
  N      -2.618405      2.722628     -0.062290
  C      -3.559301      1.885042     -0.582482
  C      -4.529015      4.810541      4.691962
  C      -5.479691      4.373685      3.588173
  C      -4.771861      3.709056      2.416281
  O      -5.623017      3.681339      1.244986
  C      -5.604998      4.723516      0.403646
  C      -4.841308      5.876774      0.539098
  C      -4.863137      6.841595     -0.488049
  N      -5.566280      6.760217     -1.607523
  C      -6.354025      5.650948     -1.740591
  C      -7.139620      5.499317     -2.909425
  C      -7.940733      4.387017     -3.047275
  C      -7.965422      3.431665     -2.006011
  N      -7.246869      3.526554     -0.898748
  C      -6.437898      4.608865     -0.763240
  C      -6.561147      1.125712      7.360999
  C      -7.248702      2.388484      7.917473
  C      -8.723560      2.456721      7.573759
  O      -8.808277      2.669066      6.150611
  C     -10.023357      2.719600      5.579208
  C     -11.235491      2.616907      6.246850
  C     -12.433965      2.681361      5.502410
  N     -12.515112      2.828304      4.190170
  C     -11.327538      2.927865      3.517374
  C     -11.339787      3.074042      2.108154
  C     -10.144766      3.161614      1.428497
  C      -8.933087      3.114380      2.156965
  N      -8.873637      2.991440      3.475433
  C     -10.046386      2.889343      4.152773
  H      -2.580107     -1.520508      4.607256
  H      -3.853317     -0.631578      3.758113
  H      -0.859165     -0.353941      3.121263
  H      -1.972167     -1.443303      2.285176
  H      -1.569799      0.702427      1.043103
  H      -2.283222      1.615751      2.395566
  H      -5.469911     -0.834829      0.178305
  H      -6.379661     -0.280238     -2.071933
  H      -4.194624      3.443851     -3.563375
  H      -2.449595      4.982766     -2.575839
  H      -1.513803      4.437347     -0.321135
  H      -3.757661      5.466475      4.233264
  H      -5.085314      5.457738      5.401044
  H      -5.975959      5.286544      3.219740
  H      -6.278447      3.721895      3.971203
  H      -4.554682      2.656449      2.613845
  H      -3.821368      4.207342      2.172170
  H      -4.211210      6.047671      1.409799
  H      -4.244051      7.737911     -0.371885
  H      -7.084690      6.277798     -3.672404
  H      -8.554328      4.236792     -3.936709
  H      -8.604486      2.547170     -2.093624
  H      -6.818011      0.262660      8.009533
  H      -6.966547      0.915952      6.363193
  H      -6.751035      3.277065      7.494991
  H      -7.146393      2.446700      9.012216
  H      -9.221426      3.290811      8.096476
  H      -9.246243      1.519379      7.835154
  H     -11.285918      2.486820      7.326611
  H     -13.385384      2.601831      6.039538
  H     -12.305899      3.107842      1.601293
  H     -10.111500      3.268880      0.343350
  H      -7.980510      3.173026      1.622839
  N      -5.463039      1.268624      4.345047
  N      -6.256976      0.848824      3.631134
100
Coordinates from ORCA-job orca E -6483.724796751198
  N      -2.646574      0.552530      4.996104
  Mo     -4.084531      1.781693      5.636039
  N      -5.115912      1.257545      7.246273
  C      -4.444259      1.339356      8.542762
  C      -2.937962      1.254810      8.342847
  N      -2.540238      2.114081      7.198353
  C      -1.239570      1.717300      6.606614
  C      -1.417907      0.458534      5.776650
  C      -2.574214      3.557402      7.534580
  C      -2.796677      4.367775      6.268849
  N      -3.845647      3.755746      5.442589
  H      -0.527036      0.342923      5.131811
  H      -1.439987     -0.443861      6.424327
  H      -0.923722      2.542627      5.953974
  H      -0.474499      1.584766      7.392821
  H      -3.089445      5.390567      6.572050
  H      -1.855711      4.480872      5.692960
  H      -3.424896      3.714291      8.211235
  H      -1.651116      3.857481      8.063350
  H      -4.761927      0.506153      9.199883
  H      -4.707724      2.270195      9.085991
  H      -2.663748      0.224107      8.079822
  H      -2.386830      1.539786      9.257366
  C      -2.807717     -0.572897      4.078445
  C      -1.915410     -0.488407      2.828474
  C      -2.273402      0.642794      1.883139
  O      -3.607644      0.363588      1.383522
  C      -4.030142      0.754595      0.164966
  C      -5.066721      0.009748     -0.385069
  C      -5.572080      0.334323     -1.652722
  N      -5.142608      1.338770     -2.405937
  C      -4.163612      2.115996     -1.865767
  C      -3.729182      3.254117     -2.591177
  C      -2.781325      4.089607     -2.047497
  C      -2.258409      3.779667     -0.771540
  N      -2.617867      2.724650     -0.058645
  C      -3.557259      1.886696     -0.580854
  C      -4.531172      4.810089      4.691379
  C      -5.480965      4.373836      3.586508
  C      -4.772260      3.709917      2.414689
  O      -5.623202      3.681674      1.243285
  C      -5.605374      4.723576      0.401721
  C      -4.841686      5.876881      0.536654
  C      -4.863367      6.841096     -0.491052
  N      -5.566363      6.759125     -1.610563
  C      -6.354099      5.649803     -1.743164
  C      -7.139299      5.497385     -2.912133
  C      -7.940398      4.385056     -3.049471
  C      -7.965505      3.430354     -2.007596
  N      -7.247189      3.525895     -0.900168
  C      -6.438203      4.608317     -0.765215
  C      -6.561472      1.125405      7.362458
  C      -7.247795      2.388911      7.918710
  C      -8.722771      2.457865      7.575857
  O      -8.808022      2.669892      6.152733
  C     -10.023284      2.720566      5.581757
  C     -11.235266      2.618163      6.249759
  C     -12.433918      2.682688      5.505611
  N     -12.515366      2.829329      4.193358
  C     -11.327938      2.928487      3.520222
  C     -11.340531      3.074063      2.110967
  C     -10.145636      3.160598      1.430902
  C      -8.933754      3.113332      2.159066
  N      -8.874005      2.991321      3.477614
  C     -10.046644      2.889976      4.155298
  H      -2.582864     -1.521240      4.607465
  H      -3.855372     -0.631987      3.757546
  H      -0.860646     -0.358159      3.120902
  H      -1.975955     -1.445135      2.284653
  H      -1.570694      0.699233      1.042350
  H      -2.279145      1.614633      2.395909
  H      -5.468498     -0.833588      0.176978
  H      -6.373842     -0.279922     -2.075350
  H      -4.187997      3.445741     -3.562536
  H      -2.445959      4.985635     -2.571146
  H      -1.513973      4.440150     -0.314940
  H      -3.759499      5.466304      4.233632
  H      -5.088064      5.456980      5.400248
  H      -5.977002      5.286895      3.218181
  H      -6.280077      3.721935      3.968566
  H      -4.554315      2.657449      2.612097
  H      -3.822043      4.208873      2.170758
  H      -4.211698      6.048164      1.407377
  H      -4.244361      7.737521     -0.375298
  H      -7.084031      6.275312     -3.675650
  H      -8.553629      4.234264     -3.939085
  H      -8.604645      2.545928     -2.094900
  H      -6.818360      0.262913      8.011715
  H      -6.967777      0.915239      6.365081
  H      -6.749811      3.276912      7.495340
  H      -7.144742      2.447725      9.013345
  H      -9.219910      3.292331      8.098684
  H      -9.245829      1.520852      7.837714
  H     -11.285491      2.488229      7.329557
  H     -13.385210      2.603544      6.043011
  H     -12.306817      3.107834      1.604420
  H     -10.112613      3.267073      0.345660
  H      -7.981282      3.170891      1.624603
  N      -5.464933      1.268451      4.344716
  N      -6.259444      0.849935      3.630617
100
Coordinates from ORCA-job orca E -6483.724798687625
  N      -2.646411      0.554149      4.994032
  Mo     -4.085141      1.781355      5.636093
  N      -5.115770      1.253662      7.245690
  C      -4.443734      1.332992      8.542081
  C      -2.937444      1.249965      8.341342
  N      -2.540904      2.112339      7.198734
  C      -1.240023      1.718494      6.605519
  C      -1.416866      0.460997      5.773257
  C      -2.576475      3.554789      7.538305
  C      -2.800728      4.367879      6.274650
  N      -3.848899      3.756257      5.447083
  H      -0.526390      0.348269      5.127353
  H      -1.436690     -0.442681      6.419244
  H      -0.925864      2.545626      5.954327
  H      -0.474302      1.585620      7.391042
  H      -3.094987      5.389450      6.580540
  H      -1.860129      4.483928      5.698743
  H      -3.426872      3.709059      8.215902
  H      -1.653413      3.854924      8.067095
  H      -4.760664      0.498138      9.197463
  H      -4.707538      2.262473      9.087487
  H      -2.662565      0.220097      8.075755
  H      -2.386123      1.533132      9.256320
  C      -2.807650     -0.571183      4.076240
  C      -1.915822     -0.486958      2.825851
  C      -2.273624      0.645077      1.881385
  O      -3.609558      0.368757      1.384438
  C      -4.030352      0.755351      0.163781
  C      -5.064272      0.007461     -0.386862
  C      -5.568042      0.329191     -1.656007
  N      -5.139555      1.333593     -2.409742
  C      -4.163070      2.113724     -1.869036
  C      -3.730017      3.251971     -2.594995
  C      -2.784582      4.089901     -2.050762
  C      -2.262604      3.782158     -0.773895
  N      -2.621006      2.727158     -0.060402
  C      -3.558285      1.887143     -0.583012
  C      -4.534422      4.811450      4.696997
  C      -5.481432      4.376259      3.589397
  C      -4.769513      3.713945      2.418771
  O      -5.619127      3.681927      1.246585
  C      -5.604664      4.723389      0.404437
  C      -4.845444      5.879742      0.538731
  C      -4.870801      6.843168     -0.489654
  N      -5.573261      6.757704     -1.609255
  C      -6.356502      5.645149     -1.741370
  C      -7.140779      5.488611     -2.910430
  C      -7.937158      4.372810     -3.047121
  C      -7.958421      3.418658     -2.004657
  N      -7.240834      3.518068     -0.897150
  C      -6.436580      4.604043     -0.762746
  C      -6.561505      1.122588      7.361663
  C      -7.246840      2.386684      7.917809
  C      -8.721775      2.457292      7.574927
  O      -8.806822      2.669713      6.151842
  C     -10.022053      2.723904      5.581026
  C     -11.234313      2.624985      6.249072
  C     -12.432792      2.693657      5.504964
  N     -12.513874      2.841255      4.192788
  C     -11.326181      2.936795      3.519577
  C     -11.338339      3.083082      2.110364
  C     -10.143175      3.165523      1.430286
  C      -8.931444      3.113456      2.158361
  N      -8.872076      2.990989      3.476866
  C     -10.045025      2.893712      4.154587
  H      -2.582909     -1.519526      4.605302
  H      -3.855295     -0.630071      3.755302
  H      -0.860635     -0.358158      3.117354
  H      -1.978089     -1.443401      2.281692
  H      -1.572568      0.700513      1.039138
  H      -2.276529      1.616838      2.394314
  H      -5.465475     -0.835779      0.175733
  H      -6.367628     -0.287471     -2.079255
  H      -4.187749      3.441772     -3.567227
  H      -2.450231      4.986099     -2.574776
  H      -1.519837      4.444395     -0.317108
  H      -3.762720      5.469782      4.242412
  H      -5.093697      5.455866      5.406234
  H      -5.977271      5.289417      3.221043
  H      -6.280997      3.723517      3.968993
  H      -4.548114      2.662360      2.617340
  H      -3.820596      4.215664      2.175316
  H      -4.216432      6.054001      1.409558
  H      -4.255458      7.742180     -0.374398
  H      -7.088551      6.266200     -3.674510
  H      -8.549516      4.218773     -3.936768
  H      -8.593616      2.531398     -2.091589
  H      -6.819228      0.260322      8.010878
  H      -6.967748      0.912710      6.364177
  H      -6.748008      3.274168      7.494345
  H      -7.143669      2.445514      9.012434
  H      -9.217856      3.292241      8.098003
  H      -9.246024      1.520887      7.836596
  H     -11.285006      2.494792      7.328822
  H     -13.384306      2.617339      6.042385
  H     -12.304511      3.120618      1.603875
  H     -10.109803      3.272335      0.345079
  H      -7.978804      3.167482      1.623859
  N      -5.465045      1.270109      4.343529
  N      -6.260073      0.854734      3.628203
100
Coordinates from ORCA-job orca E -6483.724800650411
  N      -2.646398      0.553427      4.992942
  Mo     -4.085315      1.780209      5.635399
  N      -5.116467      1.251414      7.244454
  C      -4.444642      1.329131      8.540993
  C      -2.938337      1.246402      8.340333
  N      -2.541727      2.110163      7.198829
  C      -1.240614      1.717415      6.605373
  C      -1.416655      0.460559      5.771915
  C      -2.577957      3.552227      7.539932
  C      -2.802356      4.366638      6.277107
  N      -3.849712      3.755204      5.448322
  H      -0.526161      0.349204      5.125807
  H      -1.435609     -0.443769      6.417032
  H      -0.926801      2.545342      5.955019
  H      -0.474867      1.584155      7.390818
  H      -3.097525      5.387635      6.584055
  H      -1.861605      4.484054      5.701718
  H      -3.428483      3.705394      8.217608
  H      -1.655091      3.852258      8.069130
  H      -4.761630      0.493443      9.195284
  H      -4.708495      2.257915      9.087575
  H      -2.663403      0.216869      8.073504
  H      -2.387109      1.528457      9.255708
  C      -2.807450     -0.571425      4.074587
  C      -1.915266     -0.486894      2.824450
  C      -2.271858      0.646779      1.881406
  O      -3.608341      0.373031      1.384387
  C      -4.026825      0.758456      0.162527
  C      -5.058751      0.009529     -0.390308
  C      -5.559951      0.330699     -1.660666
  N      -5.130837      1.335506     -2.413441
  C      -4.156416      2.116750     -1.870550
  C      -3.723233      3.255693     -2.595309
  C      -2.779994      4.094642     -2.048815
  C      -2.260307      3.787189     -0.770941
  N      -2.619000      2.731595     -0.058428
  C      -3.554207      1.890675     -0.583266
  C      -4.535106      4.810681      4.698480
  C      -5.480760      4.375833      3.589500
  C      -4.767336      3.714633      2.419254
  O      -5.617367      3.678938      1.247550
  C      -5.606241      4.719602      0.404400
  C      -4.850131      5.878179      0.537022
  C      -4.879468      6.840799     -0.492006
  N      -5.583014      6.752650     -1.610712
  C      -6.363159      5.637738     -1.741285
  C      -7.148704      5.478352     -2.909114
  C      -7.941941      4.360105     -3.044109
  C      -7.958661      3.406224     -2.001283
  N      -7.239752      3.508322     -0.894854
  C      -6.438837      4.596945     -0.762015
  C      -6.562291      1.121539      7.360196
  C      -7.246280      2.386159      7.916810
  C      -8.721251      2.458376      7.574571
  O      -8.806539      2.671018      6.151614
  C     -10.021922      2.728148      5.581567
  C     -11.233978      2.631120      6.250194
  C     -12.432694      2.702610      5.506728
  N     -12.514153      2.851188      4.194699
  C     -11.326616      2.944799      3.520936
  C     -11.339174      3.091953      2.111846
  C     -10.144143      3.172543      1.431266
  C      -8.932124      3.117726      2.158735
  N      -8.872395      2.994340      3.477127
  C     -10.045258      2.898823      4.155275
  H      -2.583326     -1.520091      4.603352
  H      -3.854942     -0.629735      3.753038
  H      -0.859904     -0.359755      3.115994
  H      -1.978761     -1.442654      2.279234
  H      -1.570954      0.702566      1.039052
  H      -2.273430      1.617858      2.395698
  H      -5.460408     -0.834088      0.171395
  H      -6.357811     -0.286929     -2.085759
  H      -4.179085      3.445254     -3.568464
  H      -2.445632      4.991409     -2.571845
  H      -1.519221      4.450151     -0.312474
  H      -3.763374      5.470039      4.245455
  H      -5.095697      5.453875      5.407789
  H      -5.976673      5.289026      3.221321
  H      -6.280434      3.722426      3.967885
  H      -4.542488      2.663979      2.618958
  H      -3.820022      4.218959      2.174877
  H      -4.220708      6.054857      1.407070
  H      -4.266520      7.741622     -0.378108
  H      -7.099932      6.255756     -3.673609
  H      -8.555193      4.203881     -3.932777
  H      -8.591103      2.516869     -2.087028
  H      -6.820873      0.259305      8.009110
  H      -6.968702      0.912360      6.362637
  H      -6.746743      3.273229      7.493306
  H      -7.142614      2.444718      9.011402
  H      -9.216135      3.293806      8.098017
  H      -9.246508      1.522568      7.836393
  H     -11.284380      2.500083      7.329850
  H     -13.384082      2.627652      6.044562
  H     -12.305520      3.131696      1.605854
  H     -10.111091      3.279981      0.346101
  H      -7.979607      3.170133      1.623802
  N      -5.464761      1.269586      4.342086
  N      -6.260196      0.854735      3.626938
100
Coordinates from ORCA-job orca E -6483.724802246015
  N      -2.647186      0.552282      4.991884
  Mo     -4.085798      1.779109      5.634943
  N      -5.117311      1.249527      7.243569
  C      -4.445422      1.325775      8.540155
  C      -2.939108      1.243098      8.339361
  N      -2.542418      2.107922      7.198712
  C      -1.241367      1.715748      6.604757
  C      -1.417155      0.459405      5.770416
  C      -2.578721      3.549673      7.541085
  C      -2.803306      4.365268      6.279030
  N      -3.850103      3.754080      5.449320
  H      -0.526753      0.349134      5.123986
  H      -1.435352     -0.445499      6.414752
  H      -0.927794      2.544209      5.954963
  H      -0.475360      1.582026      7.389895
  H      -3.099196      5.385784      6.586839
  H      -1.862474      4.483737      5.703991
  H      -3.429121      3.702122      8.219082
  H      -1.655786      3.849296      8.070396
  H      -4.762396      0.489416      9.193595
  H      -4.709137      2.253989      9.087773
  H      -2.664368      0.213794      8.071452
  H      -2.387805      1.524099      9.255018
  C      -2.808341     -0.571900      4.072749
  C      -1.915396     -0.487246      2.823106
  C      -2.269897      0.648138      1.881280
  O      -3.606154      0.376558      1.382333
  C      -4.021895      0.762327      0.159581
  C      -5.051813      0.013037     -0.396435
  C      -5.550002      0.334779     -1.667849
  N      -5.119860      1.340511     -2.418764
  C      -4.147483      2.122156     -1.872794
  C      -3.713631      3.262193     -2.595431
  C      -2.772492      4.101490     -2.045886
  C      -2.255581      3.793314     -0.767053
  N      -2.615057      2.736743     -0.056369
  C      -3.548239      1.895462     -0.584230
  C      -4.535759      4.809856      4.700099
  C      -5.480034      4.375343      3.589795
  C      -4.765063      3.715353      2.419918
  O      -5.615615      3.675400      1.248749
  C      -5.608613      4.714886      0.404123
  C      -4.856287      5.876176      0.534368
  C      -4.890551      6.837613     -0.495634
  N      -5.595601      6.746003     -1.613100
  C      -6.371890      5.628132     -1.741508
  C      -7.159091      5.465072     -2.907733
  C      -7.948377      4.343753     -3.040476
  C      -7.959088      3.390227     -1.997282
  N      -7.238531      3.495787     -0.892294
  C      -6.441984      4.587828     -0.761330
  C      -6.563174      1.120150      7.359231
  C      -7.246482      2.384579      7.917217
  C      -8.721473      2.458264      7.575163
  O      -8.806799      2.671658      6.152322
  C     -10.022229      2.732677      5.582773
  C     -11.234305      2.638996      6.251795
  C     -12.433087      2.714758      5.508828
  N     -12.514612      2.864478      4.196929
  C     -11.327052      2.954721      3.522738
  C     -11.339656      3.102756      2.113724
  C     -10.144621      3.179879      1.432753
  C      -8.932548      3.120728      2.159762
  N      -8.872744      2.996483      3.478051
  C     -10.045613      2.904278      4.156574
  H      -2.585137     -1.521057      4.601041
  H      -3.855683     -0.629295      3.750534
  H      -0.860018     -0.361878      3.115342
  H      -1.979847     -1.442295      2.276764
  H      -1.568001      0.704585      1.039795
  H      -2.271079      1.618397      2.397165
  H      -5.454295     -0.831314      0.163574
  H      -6.346217     -0.283240     -2.095458
  H      -4.167281      3.452289     -3.569510
  H      -2.437675      4.999038     -2.567285
  H      -1.516134      4.456462     -0.306199
  H      -3.764240      5.470450      4.248543
  H      -5.097676      5.451573      5.409681
  H      -5.975933      5.288642      3.221840
  H      -6.279738      3.721265      3.966924
  H      -4.536480      2.665713      2.620794
  H      -3.819567      4.222594      2.174524
  H      -4.226292      6.056106      1.403329
  H      -4.280516      7.740649     -0.383594
  H      -7.114746      6.242194     -3.672780
  H      -8.562903      4.184771     -3.927765
  H      -8.587821      2.498083     -2.081513
  H      -6.822152      0.257334      8.007229
  H      -6.969804      0.912217      6.361496
  H      -6.746387      3.271733      7.494556
  H      -7.142685      2.441960      9.011856
  H      -9.215525      3.293878      8.099092
  H      -9.247556      1.522813      7.836656
  H     -11.284706      2.507421      7.331379
  H     -13.384493      2.642490      6.047001
  H     -12.306048      3.146026      1.608115
  H     -10.111640      3.287803      0.347632
  H      -7.980053      3.170277      1.624540
  N      -5.465378      1.269628      4.341293
  N      -6.261666      0.855741      3.626635
100
Coordinates from ORCA-job orca E -6483.724802775966
  N      -2.648376      0.551196      4.991238
  Mo     -4.086136      1.779022      5.634181
  N      -5.118322      1.249758      7.242482
  C      -4.446497      1.325315      8.539166
  C      -2.940194      1.242011      8.338586
  N      -2.542899      2.106858      7.198211
  C      -1.242101      1.714078      6.604151
  C      -1.418361      0.457817      5.769741
  C      -2.578374      3.548559      7.540846
  C      -2.802466      4.364593      6.278963
  N      -3.849071      3.753751      5.448727
  H      -0.527931      0.347493      5.123347
  H      -1.436730     -0.447201      6.413902
  H      -0.928176      2.542391      5.954339
  H      -0.475996      1.579976      7.389147
  H      -3.098440      5.385026      6.586905
  H      -1.861434      4.483097      5.704262
  H      -3.428617      3.701325      8.218977
  H      -1.655217      3.847465      8.070183
  H      -4.763815      0.488901      9.192374
  H      -4.709907      2.253478      9.087012
  H      -2.665966      0.212627      8.070446
  H      -2.388921      1.522454      9.254434
  C      -2.810283     -0.572776      4.072021
  C      -1.916838     -0.488918      2.822662
  C      -2.269231      0.647352      1.881125
  O      -3.604790      0.376977      1.379598
  C      -4.017942      0.764444      0.156496
  C      -5.046564      0.015925     -0.402949
  C      -5.542013      0.339607     -1.674922
  N      -5.110358      1.346527     -2.423385
  C      -4.139183      2.127329     -1.874133
  C      -3.703781      3.268469     -2.594127
  C      -2.763665      4.106800     -2.041421
  C      -2.249373      3.796606     -0.762002
  N      -2.610423      2.739026     -0.053646
  C      -3.542629      1.898635     -0.584648
  C      -4.535018      4.809775      4.700099
  C      -5.478586      4.375578      3.589057
  C      -4.762752      3.715934      2.419590
  O      -5.613910      3.672852      1.248992
  C      -5.609998      4.711325      0.403165
  C      -4.860029      5.874352      0.531195
  C      -4.898443      6.835061     -0.499370
  N      -5.605645      6.741299     -1.615280
  C      -6.379530      5.621495     -1.741566
  C      -7.169189      5.456303     -2.905828
  C      -7.956102      4.333058     -3.036413
  C      -7.961506      3.379461     -1.993251
  N      -7.238551      3.487018     -0.890021
  C      -6.444873      4.581348     -0.760894
  C      -6.564106      1.120120      7.358315
  C      -7.247265      2.383775      7.918339
  C      -8.722229      2.458355      7.576360
  O      -8.807482      2.672703      6.153670
  C     -10.022865      2.735622      5.584311
  C     -11.234992      2.643321      6.253412
  C     -12.433755      2.721006      5.510608
  N     -12.515215      2.871188      4.198759
  C     -11.327595      2.959917      3.524468
  C     -11.340137      3.108086      2.115474
  C     -10.145064      3.183617      1.434357
  C      -8.933022      3.122819      2.161270
  N      -8.873260      2.998446      3.479539
  C     -10.046157      2.907646      4.158163
  H      -2.588051     -1.522236      4.600210
  H      -3.857641     -0.629149      3.749649
  H      -0.861468     -0.364941      3.115541
  H      -1.982098     -1.443679      2.275942
  H      -1.565863      0.703999      1.040860
  H      -2.270702      1.617161      2.397853
  H      -5.450237     -0.829311      0.154867
  H      -6.337267     -0.277806     -2.105188
  H      -4.155419      3.460082     -3.568843
  H      -2.427629      5.005042     -2.560844
  H      -1.510734      4.458912     -0.298633
  H      -3.763682      5.471100      4.249319
  H      -5.097635      5.450588      5.409932
  H      -5.974073      5.289113      3.221103
  H      -6.278550      3.721379      3.965408
  H      -4.531813      2.666974      2.621460
  H      -3.818496      4.225026      2.173257
  H      -4.228851      6.056452      1.398851
  H      -4.290155      7.739490     -0.389067
  H      -7.128620      6.233405     -3.671100
  H      -8.572534      4.172568     -3.922112
  H      -8.587709      2.485384     -2.076060
  H      -6.822889      0.256306      8.005070
  H      -6.971070      0.913652      6.360415
  H      -6.746921      3.271458      7.497082
  H      -7.143545      2.439386      9.013072
  H      -9.215947      3.293797      8.100850
  H      -9.248668      1.522914      7.837207
  H     -11.285429      2.511347      7.332950
  H     -13.385194      2.649870      6.048873
  H     -12.306568      3.152723      1.610053
  H     -10.112079      3.291454      0.349229
  H      -7.980458      3.171101      1.626043
  N      -5.466017      1.271070      4.340114
  N      -6.263210      0.858336      3.625820
100
Coordinates from ORCA-job orca E -6483.724803648048
  N      -2.649776      0.550495      4.990484
  Mo     -4.086927      1.778796      5.633781
  N      -5.119249      1.249758      7.242039
  C      -4.447215      1.325031      8.538682
  C      -2.940946      1.241336      8.338033
  N      -2.543476      2.106060      7.197649
  C      -1.242961      1.712717      6.603379
  C      -1.419830      0.456501      5.768998
  C      -2.578219      3.547776      7.540244
  C      -2.801923      4.363905      6.278348
  N      -3.848594      3.753340      5.448002
  H      -0.529381      0.345846      5.122673
  H      -1.438608     -0.448531      6.413123
  H      -0.928759      2.540831      5.953449
  H      -0.476750      1.578316      7.388225
  H      -3.097762      5.384373      6.586293
  H      -1.860801      4.482230      5.703764
  H      -3.428320      3.700973      8.218461
  H      -1.654859      3.846146      8.069534
  H      -4.764660      0.488664      9.191900
  H      -4.710371      2.253228      9.086576
  H      -2.667040      0.211876      8.069848
  H      -2.389578      1.521579      9.253887
  C      -2.812318     -0.573261      4.071167
  C      -1.918475     -0.489895      2.822094
  C      -2.268924      0.647098      1.880770
  O      -3.603898      0.377872      1.377010
  C      -4.014658      0.766916      0.153606
  C      -5.042265      0.019258     -0.408853
  C      -5.535383      0.344851     -1.681220
  N      -5.102317      1.352849     -2.427437
  C      -4.132011      2.132677     -1.875328
  C      -3.695134      3.274777     -2.592960
  C      -2.755718      4.112043     -2.037497
  C      -2.243750      3.799919     -0.757601
  N      -2.606310      2.741499     -0.051317
  C      -3.537764      1.902025     -0.585096
  C      -4.534480      4.809600      4.699605
  C      -5.478126      4.375814      3.588443
  C      -4.762265      3.716031      2.419106
  O      -5.614092      3.671048      1.249025
  C      -5.611875      4.708481      0.401929
  C      -4.863269      5.872574      0.528072
  C      -4.903954      6.832281     -0.503351
  N      -5.612321      6.736665     -1.618360
  C      -6.384783      5.615674     -1.742863
  C      -7.175800      5.448670     -2.905942
  C      -7.961375      4.324275     -3.034767
  C      -7.963698      3.371147     -1.991192
  N      -7.239402      3.480375     -0.888994
  C      -6.447440      4.576118     -0.761368
  C      -6.564966      1.119783      7.358291
  C      -7.248035      2.382528      7.920527
  C      -8.722976      2.457937      7.578608
  O      -8.808121      2.673227      6.156036
  C     -10.023409      2.737880      5.586674
  C     -11.235719      2.647527      6.255713
  C     -12.434329      2.727124      5.512860
  N     -12.515500      2.877293      4.200983
  C     -11.327707      2.963925      3.526726
  C     -11.339913      3.111631      2.117670
  C     -10.144687      3.184736      1.436548
  C      -8.932810      3.122139      2.163558
  N      -8.873344      2.998273      3.481880
  C     -10.046385      2.909722      4.160497
  H      -2.590709     -1.522987      4.599161
  H      -3.859738     -0.628924      3.748827
  H      -0.863127     -0.367108      3.115613
  H      -1.984406     -1.444391      2.275014
  H      -1.564291      0.703594      1.041537
  H      -2.270469      1.616609      2.398022
  H      -5.447002     -0.826774      0.146984
  H      -6.329971     -0.271802     -2.113802
  H      -4.145058      3.467809     -3.568187
  H      -2.418447      5.010823     -2.555187
  H      -1.505662      4.461324     -0.292059
  H      -3.763062      5.470857      4.248863
  H      -5.096954      5.450426      5.409534
  H      -5.973175      5.289594      3.220502
  H      -6.278275      3.721818      3.964641
  H      -4.530119      2.667449      2.621646
  H      -3.818720      4.226009      2.171951
  H      -4.231505      6.056447      1.394923
  H      -4.296698      7.737575     -0.394462
  H      -7.137357      6.225389     -3.671713
  H      -8.578889      4.162507     -3.919470
  H      -8.588454      2.475922     -2.072778
  H      -6.823374      0.254892      8.003757
  H      -6.972348      0.914868      6.360249
  H      -6.747505      3.270853      7.500845
  H      -7.144426      2.436206      9.015367
  H      -9.216329      3.293247      8.103641
  H      -9.249789      1.522519      7.838792
  H     -11.286369      2.515717      7.335260
  H     -13.385901      2.657664      6.051110
  H     -12.306262      3.157736      1.612226
  H     -10.111496      3.291902      0.351361
  H      -7.980079      3.168223      1.628441
  N      -5.467733      1.271983      4.340110
  N      -6.266107      0.860112      3.626655
