100
Coordinates from ORCA-job orca E -6707.154002574211
  N      -2.407235      3.252236      5.889948
  Mo     -2.668902      1.418142      5.083082
  N      -3.173405      0.380114      6.685714
  C      -2.203678      0.069266      7.718746
  C      -1.207800      1.209383      7.898610
  N      -0.575864      1.580259      6.630962
  C      -0.103499      2.959137      6.639984
  C      -1.081936      3.809732      5.794561
  C       0.433527      0.630776      6.170825
  C       0.111598      0.365895      4.686990
  N      -1.290406      0.059210      4.667310
  H      -0.752128      3.789390      4.750520
  H      -1.044772      4.849726      6.135980
  H       0.895539      3.034935      6.208737
  H      -0.066114      3.348390      7.661829
  H       0.730635     -0.442413      4.282772
  H       0.305535      1.278952      4.107584
  H       0.338900     -0.309299      6.718853
  H       1.449428      1.013329      6.300299
  H      -2.691412     -0.105257      8.686227
  H      -1.678245     -0.862664      7.447490
  H      -1.768118      2.074647      8.262491
  H      -0.451552      0.931760      8.645317
  C      -3.304953      4.084298      6.648592
  C      -3.634949      5.439212      5.956933
  O      -4.789723      5.334207      5.124228
  C      -4.629962      5.179204      3.791816
  O      -3.544908      5.275441      3.231829
  C      -5.914825      4.919573      3.121740
  N      -6.746118      4.077165      3.739609
  C      -7.913478      3.859977      3.144330
  N      -8.360992      4.387261      2.037108
  C      -7.548486      5.265163      1.396037
  C      -7.992780      5.878189      0.213774
  C      -7.177156      6.767094     -0.439666
  C      -5.903615      7.069489      0.060764
  C      -5.444340      6.484750      1.214371
  C      -6.252990      5.568061      1.906666
  C      -1.613876     -1.326708      4.483880
  C      -1.982344     -1.608896      2.999854
  O      -2.344185     -0.409134      2.323098
  C      -3.367406      0.331533      2.853293
  O      -4.034545     -0.124666      3.816356
  C      -3.894557      1.297755      1.878319
  N      -5.168922      1.645341      2.101815
  C      -5.731815      2.522968      1.280895
  N      -5.182125      3.111950      0.259285
  C      -3.896412      2.778620     -0.019276
  C      -3.280093      3.396343     -1.121685
  C      -1.993305      3.071886     -1.461250
  C      -1.288406      2.122403     -0.712447
  C      -1.864738      1.509120      0.371903
  C      -3.184372      1.816991      0.759142
  C      -4.350632     -0.436160      6.837303
  C      -5.341897      0.064006      7.908976
  O      -5.828421      1.370047      7.624747
  C      -6.794506      1.491464      6.695105
  O      -7.208005      0.546123      6.031285
  C      -7.309861      2.865281      6.654123
  N      -6.467516      3.797966      7.097715
  C      -6.927713      5.044366      7.146095
  N      -8.110004      5.471964      6.802379
  C      -8.996043      4.549524      6.360035
  C     -10.293673      4.958907      6.005077
  C     -11.216894      4.030002      5.599554
  C     -10.880140      2.670563      5.536436
  C      -9.618057      2.242575      5.865689
  C      -8.643497      3.170177      6.275391
  H      -2.864634      4.336156      7.626867
  H      -4.255548      3.570868      6.815626
  H      -2.800399      5.788813      5.339194
  H      -3.887667      6.194706      6.702575
  H      -8.562346      3.144863      3.636378
  H      -8.977015      5.628943     -0.148397
  H      -7.515724      7.241806     -1.347072
  H      -5.277017      7.770966     -0.467450
  H      -4.458779      6.706999      1.595215
  H      -2.480195     -1.577825      5.106879
  H      -0.774241     -1.976288      4.758780
  H      -2.809157     -2.324784      2.937922
  H      -1.126683     -1.976213      2.430646
  H      -6.758220      2.750527      1.492200
  H      -3.858395      4.115602     -1.679158
  H      -1.521473      3.542704     -2.309329
  H      -0.277058      1.871054     -0.990986
  H      -1.303252      0.777943      0.927582
  H      -4.891599     -0.465076      5.887238
  H      -4.084642     -1.467208      7.120839
  H      -6.184622     -0.633695      7.955925
  H      -4.872409      0.159278      8.889167
  H      -6.235085      5.785323      7.524262
  H     -10.530233      6.008349      6.075364
  H     -12.215015      4.340228      5.333581
  H     -11.622603      1.952216      5.225753
  H      -9.355350      1.197008      5.809384
  N      -2.466932      2.263566      3.138509
  N      -2.335533      2.813587      1.873399
  H      -1.958551      3.748297      1.950057
  H      -1.710762      2.242378      1.321078
  H      -3.241491      2.851078      1.426731
100
Coordinates from ORCA-job orca E -6707.236735568753
  N      -2.405896      3.249929      5.897194
  Mo     -2.657529      1.416258      5.099358
  N      -3.152277      0.374370      6.700840
  C      -2.173613      0.070228      7.732031
  C      -1.185905      1.218184      7.910335
  N      -0.558813      1.593672      6.637858
  C      -0.095834      2.978139      6.640679
  C      -1.083467      3.817437      5.795175
  C       0.455077      0.649233      6.174942
  C       0.127065      0.381140      4.693932
  N      -1.273772      0.063261      4.679930
  H      -0.755705      3.796053      4.747982
  H      -1.054035      4.860497      6.132612
  H       0.902714      3.059701      6.205157
  H      -0.057064      3.370481      7.662993
  H       0.749393     -0.425088      4.287059
  H       0.313374      1.295927      4.111347
  H       0.368845     -0.292097      6.725462
  H       1.470495      1.039299      6.300496
  H      -2.658286     -0.109003      8.701732
  H      -1.641154     -0.859022      7.458862
  H      -1.751163      2.080993      8.276278
  H      -0.424161      0.946341      8.655977
  C      -3.318854      4.069692      6.656329
  C      -3.663319      5.421466      5.971487
  O      -4.815423      5.320269      5.129444
  C      -4.644569      5.182514      3.797623
  O      -3.558204      5.281716      3.240670
  C      -5.932912      4.939387      3.114032
  N      -6.773130      4.093930      3.712118
  C      -7.945518      3.889632      3.101989
  N      -8.382636      4.442111      1.995195
  C      -7.554332      5.325510      1.376679
  C      -7.982424      5.963900      0.197405
  C      -7.150983      6.857591     -0.434720
  C      -5.875013      7.141171      0.083925
  C      -5.430642      6.532693      1.233971
  C      -6.257035      5.609916      1.905277
  C      -1.594353     -1.328571      4.500991
  C      -1.969937     -1.626946      3.022268
  O      -2.345020     -0.436615      2.329669
  C      -3.368843      0.302197      2.860192
  O      -4.018394     -0.139755      3.842127
  C      -3.916592      1.249853      1.881095
  N      -5.191995      1.592412      2.109004
  C      -5.771421      2.461096      1.279116
  N      -5.230239      3.048322      0.237278
  C      -3.941445      2.724862     -0.048807
  C      -3.329754      3.336476     -1.163975
  C      -2.037917      3.020505     -1.511901
  C      -1.311718      2.078860     -0.762887
  C      -1.867546      1.465827      0.338300
  C      -3.209056      1.772473      0.745828
  C      -4.333717     -0.446685      6.841773
  C      -5.333228      0.039718      7.911161
  O      -5.825400      1.352112      7.642204
  C      -6.785186      1.485781      6.704000
  O      -7.186106      0.553861      6.018097
  C      -7.308385      2.867106      6.676702
  N      -6.480456      3.798251      7.147960
  C      -6.946827      5.049894      7.206379
  N      -8.130126      5.478296      6.845584
  C      -9.002130      4.552250      6.373472
  C     -10.298229      4.958993      5.997024
  C     -11.208746      4.028350      5.558685
  C     -10.860700      2.667899      5.482400
  C      -9.600436      2.241782      5.831590
  C      -8.638006      3.171885      6.276373
  H      -2.883587      4.324999      7.637993
  H      -4.263880      3.541302      6.821443
  H      -2.828474      5.784270      5.360408
  H      -3.927421      6.168442      6.724947
  H      -8.605340      3.169173      3.581759
  H      -8.968623      5.728848     -0.179858
  H      -7.478030      7.351683     -1.340591
  H      -5.235161      7.847791     -0.429009
  H      -4.443521      6.739965      1.628191
  H      -2.456077     -1.581186      5.130201
  H      -0.748348     -1.972060      4.776843
  H      -2.793216     -2.350074      2.974343
  H      -1.114187     -1.996314      2.451587
  H      -6.804905      2.684840      1.498967
  H      -3.919485      4.047094     -1.727163
  H      -1.578172      3.489346     -2.372217
  H      -0.299734      1.830941     -1.055423
  H      -1.293993      0.735121      0.891447
  H      -4.869116     -0.468867      5.887547
  H      -4.066771     -1.480950      7.117789
  H      -6.173563     -0.664024      7.943475
  H      -4.870616      0.125302      8.897587
  H      -6.259797      5.790689      7.607396
  H     -10.544004      6.009504      6.077154
  H     -12.206693      4.337631      5.275772
  H     -11.594449      1.947188      5.144799
  H      -9.329678      1.196153      5.764581
  N      -2.454011      2.273513      3.174308
  N      -2.322557      2.828064      1.913472
  H      -1.945587      3.778705      1.991427
  H      -1.680622      2.237461      1.333893
  H      -3.257542      2.856742      1.450387
100
Coordinates from ORCA-job orca E -6707.298320301170
  N      -2.388573      3.251502      5.901795
  Mo     -2.644456      1.424985      5.107617
  N      -3.141810      0.378288      6.704687
  C      -2.157655      0.069736      7.733456
  C      -1.168688      1.215383      7.914917
  N      -0.541383      1.593806      6.639964
  C      -0.076688      2.980475      6.641275
  C      -1.065451      3.819295      5.796613
  C       0.469280      0.646675      6.171913
  C       0.134298      0.383255      4.692514
  N      -1.267572      0.065873      4.681181
  H      -0.738771      3.797841      4.746814
  H      -1.036567      4.864229      6.133264
  H       0.922710      3.060735      6.203485
  H      -0.034802      3.371789      7.665482
  H       0.753043     -0.425044      4.280568
  H       0.321601      1.299959      4.110001
  H       0.382689     -0.296864      6.721680
  H       1.487322      1.035100      6.296346
  H      -2.642135     -0.112461      8.704323
  H      -1.626614     -0.860951      7.456562
  H      -1.731202      2.079976      8.284485
  H      -0.404919      0.940569      8.659661
  C      -3.314528      4.059698      6.662820
  C      -3.667154      5.409094      5.987314
  O      -4.817247      5.306439      5.136878
  C      -4.637735      5.178062      3.807472
  O      -3.553098      5.274772      3.247799
  C      -5.933675      4.941734      3.119840
  N      -6.773845      4.098797      3.715763
  C      -7.954781      3.894761      3.103761
  N      -8.392288      4.454550      1.994807
  C      -7.557187      5.337573      1.380310
  C      -7.982264      5.982348      0.199255
  C      -7.145602      6.875239     -0.431330
  C      -5.864610      7.153541      0.089976
  C      -5.422101      6.540241      1.240569
  C      -6.255613      5.616960      1.911147
  C      -1.598214     -1.327693      4.501803
  C      -1.981305     -1.633085      3.027399
  O      -2.357979     -0.446394      2.321007
  C      -3.375185      0.297183      2.852351
  O      -4.011098     -0.125419      3.852882
  C      -3.931973      1.237243      1.871662
  N      -5.204381      1.588894      2.101118
  C      -5.785340      2.457925      1.264014
  N      -5.242463      3.040333      0.209517
  C      -3.955037      2.711437     -0.076619
  C      -3.337944      3.317200     -1.197243
  C      -2.044792      2.999036     -1.547188
  C      -1.315239      2.055542     -0.797298
  C      -1.865613      1.444643      0.313077
  C      -3.219380      1.758582      0.730053
  C      -4.332588     -0.439773      6.839267
  C      -5.330212      0.040972      7.910810
  O      -5.825067      1.360888      7.656885
  C      -6.789170      1.493426      6.719594
  O      -7.186599      0.565504      6.031139
  C      -7.322722      2.881380      6.691148
  N      -6.504996      3.819656      7.160661
  C      -6.978721      5.076262      7.211596
  N      -8.167658      5.497033      6.842853
  C      -9.030131      4.557310      6.371389
  C     -10.329974      4.952648      5.984455
  C     -11.232287      4.011663      5.543925
  C     -10.872266      2.649808      5.475012
  C      -9.608869      2.233714      5.833877
  C      -8.654053      3.175743      6.282426
  H      -2.885049      4.312644      7.649585
  H      -4.255992      3.520060      6.823232
  H      -2.830742      5.783295      5.384005
  H      -3.942485      6.148454      6.747340
  H      -8.617264      3.173817      3.585762
  H      -8.972096      5.751566     -0.180796
  H      -7.471432      7.373950     -1.339204
  H      -5.220117      7.860943     -0.423152
  H      -4.431851      6.743654      1.635827
  H      -2.457971     -1.576075      5.135555
  H      -0.752066     -1.973587      4.777739
  H      -2.807358     -2.355517      2.989816
  H      -1.128163     -2.010485      2.455399
  H      -6.822500      2.690102      1.486420
  H      -3.928897      4.028364     -1.764755
  H      -1.586371      3.464989     -2.413842
  H      -0.303497      1.800853     -1.096742
  H      -1.292961      0.705562      0.864338
  H      -4.867015     -0.454606      5.883953
  H      -4.068354     -1.478023      7.108100
  H      -6.172300     -0.663076      7.937243
  H      -4.866172      0.116317      8.899319
  H      -6.292687      5.824535      7.610559
  H     -10.585141      6.004872      6.058191
  H     -12.233821      4.313547      5.252674
  H     -11.600657      1.920068      5.134591
  H      -9.329631      1.187617      5.771833
  N      -2.430431      2.294360      3.211541
  N      -2.287990      2.858248      1.963091
  H      -1.902915      3.814723      2.049878
  H      -1.641183      2.248536      1.359596
  H      -3.241333      2.889878      1.481160
100
Coordinates from ORCA-job orca E -6707.344752439467
  N      -2.383628      3.251656      5.904016
  Mo     -2.633534      1.429214      5.118084
  N      -3.125705      0.377408      6.713747
  C      -2.134093      0.072480      7.739468
  C      -1.151026      1.222682      7.920744
  N      -0.526569      1.605343      6.642432
  C      -0.069089      2.996760      6.638809
  C      -1.064374      3.827334      5.793887
  C       0.485942      0.660449      6.170045
  C       0.144462      0.396117      4.692811
  N      -1.255915      0.070436      4.686383
  H      -0.739458      3.805470      4.741940
  H      -1.042558      4.874913      6.127167
  H       0.930153      3.080442      6.198310
  H      -0.025850      3.389132      7.663744
  H       0.763961     -0.411336      4.277226
  H       0.326670      1.313961      4.107988
  H       0.404989     -0.284194      6.721044
  H       1.503943      1.053596      6.292001
  H      -2.616458     -0.113794      8.711928
  H      -1.599120     -0.856663      7.460632
  H      -1.715410      2.086395      8.292204
  H      -0.383278      0.951406      8.664428
  C      -3.326085      4.043960      6.665381
  C      -3.690702      5.390225      5.998831
  O      -4.837067      5.287705      5.137466
  C      -4.645535      5.174659      3.810817
  O      -3.560617      5.271417      3.253225
  C      -5.946542      4.954788      3.111797
  N      -6.793557      4.112510      3.693361
  C      -7.977996      3.919675      3.071240
  N      -8.407010      4.498156      1.964970
  C      -7.558988      5.382311      1.366753
  C      -7.971655      6.045025      0.188345
  C      -7.123036      6.938041     -0.428202
  C      -5.839795      7.200194      0.104225
  C      -5.408538      6.570450      1.251484
  C      -6.256321      5.646018      1.908113
  C      -1.587908     -1.326269      4.511220
  C      -1.978458     -1.645234      3.042903
  O      -2.365952     -0.467274      2.319388
  C      -3.379519      0.276040      2.849616
  O      -3.996304     -0.125864      3.871197
  C      -3.952744      1.202882      1.865389
  N      -5.222817      1.553954      2.101161
  C      -5.812967      2.415604      1.258767
  N      -5.277347      2.993710      0.191891
  C      -3.990014      2.667947     -0.096430
  C      -3.377412      3.271553     -1.223904
  C      -2.082718      2.960984     -1.577415
  C      -1.343876      2.023579     -0.825940
  C      -1.883788      1.414395      0.293796
  C      -3.243854      1.724162      0.718716
  C      -4.320614     -0.442527      6.841865
  C      -5.319791      0.026034      7.914189
  O      -5.820088      1.352201      7.677217
  C      -6.780977      1.489293      6.735063
  O      -7.167626      0.572531      6.029273
  C      -7.322516      2.883102      6.716559
  N      -6.518898      3.819678      7.206958
  C      -6.998387      5.079149      7.260684
  N      -8.185229      5.499243      6.875011
  C      -9.033789      4.555666      6.380500
  C     -10.329676      4.948690      5.971318
  C     -11.219520      4.007146      5.503509
  C     -10.850526      2.645320      5.427832
  C      -9.591200      2.231005      5.807545
  C      -8.648846      3.174827      6.285947
  H      -2.904030      4.296753      7.656927
  H      -4.260762      3.488806      6.821600
  H      -2.853307      5.779237      5.405399
  H      -3.979772      6.119587      6.765339
  H      -8.648571      3.197494      3.545515
  H      -8.963196      5.826451     -0.201248
  H      -7.440156      7.450235     -1.334559
  H      -5.185303      7.909033     -0.399229
  H      -4.416815      6.761229      1.654642
  H      -2.442731     -1.574207      5.151778
  H      -0.737289     -1.968067      4.787950
  H      -2.802247     -2.372046      3.018526
  H      -1.126740     -2.026634      2.469548
  H      -6.853084      2.649227      1.487101
  H      -3.976387      3.977287     -1.794432
  H      -1.630396      3.425436     -2.450987
  H      -0.331589      1.768565     -1.131846
  H      -1.307198      0.672718      0.842965
  H      -4.851814     -0.451308      5.884499
  H      -4.055279     -1.483617      7.102637
  H      -6.160257     -0.681682      7.930780
  H      -4.858480      0.091310      8.906094
  H      -6.318526      5.827293      7.676221
  H     -10.591862      6.001341      6.049698
  H     -12.218640      4.308328      5.194678
  H     -11.569954      1.914183      5.064580
  H      -9.305587      1.185412      5.739447
  N      -2.420496      2.302794      3.251283
  N      -2.272711      2.875230      2.014327
  H      -1.887329      3.836520      2.107400
  H      -1.624911      2.254017      1.389521
  H      -3.237600      2.902416      1.517989
100
Coordinates from ORCA-job orca E -6707.380468504319
  N      -2.364029      3.256929      5.908282
  Mo     -2.621483      1.441698      5.125193
  N      -3.117198      0.385055      6.718694
  C      -2.120867      0.075830      7.740380
  C      -1.135225      1.222542      7.923030
  N      -0.510412      1.606731      6.643047
  C      -0.050404      2.999195      6.637728
  C      -1.045533      3.831561      5.794511
  C       0.496826      0.657583      6.163928
  C       0.147543      0.397486      4.687876
  N      -1.253212      0.073270      4.685315
  H      -0.722684      3.809892      4.740892
  H      -1.023205      4.880374      6.127185
  H       0.949298      3.079515      6.195572
  H      -0.003453      3.389572      7.664053
  H       0.762087     -0.412443      4.267332
  H       0.331358      1.315862      4.102690
  H       0.414487     -0.288345      6.713993
  H       1.517171      1.047793      6.284683
  H      -2.602326     -0.112029      8.714009
  H      -1.589059     -0.855176      7.458832
  H      -1.694636      2.089101      8.297162
  H      -0.366116      0.947993      8.665337
  C      -3.315499      4.037897      6.672850
  C      -3.685126      5.384004      6.017892
  O      -4.830127      5.281129      5.150114
  C      -4.632204      5.176978      3.826138
  O      -3.548308      5.267572      3.266643
  C      -5.939960      4.967606      3.124081
  N      -6.789157      4.130345      3.705118
  C      -7.978092      3.940816      3.082466
  N      -8.405310      4.524008      1.976661
  C      -7.550944      5.404203      1.379686
  C      -7.960403      6.069988      0.200081
  C      -7.106949      6.958156     -0.417566
  C      -5.820172      7.213541      0.114429
  C      -5.391357      6.581663      1.262021
  C      -6.245648      5.661564      1.920088
  C      -1.595797     -1.322854      4.512018
  C      -1.996051     -1.649803      3.049286
  O      -2.387222     -0.477245      2.310956
  C      -3.391370      0.272297      2.839998
  O      -3.990518     -0.104000      3.881832
  C      -3.973982      1.194031      1.852224
  N      -5.238969      1.553903      2.095951
  C      -5.830693      2.413941      1.250535
  N      -5.298520      2.984786      0.175433
  C      -4.013518      2.652436     -0.115071
  C      -3.402344      3.252731     -1.246837
  C      -2.108926      2.940744     -1.603459
  C      -1.370353      2.002500     -0.851618
  C      -1.906980      1.397827      0.273777
  C      -3.265729      1.711451      0.703731
  C      -4.318525     -0.430636      6.846808
  C      -5.312356      0.034311      7.922340
  O      -5.816504      1.364762      7.693854
  C      -6.781947      1.490350      6.753437
  O      -7.164718      0.570298      6.052035
  C      -7.333927      2.886972      6.722992
  N      -6.540507      3.834467      7.204086
  C      -7.027937      5.095038      7.236636
  N      -8.216420      5.502545      6.838643
  C      -9.055000      4.543641      6.352829
  C     -10.351248      4.922977      5.928085
  C     -11.231861      3.969669      5.465025
  C     -10.852754      2.608090      5.409130
  C      -9.593219      2.206442      5.803908
  C      -8.660212      3.163477      6.279314
  H      -2.897737      4.284920      7.668805
  H      -4.246067      3.473656      6.825653
  H      -2.846928      5.784015      5.432459
  H      -3.983155      6.104877      6.790285
  H      -8.651682      3.221915      3.559655
  H      -8.954682      5.856610     -0.189788
  H      -7.422293      7.472422     -1.325251
  H      -5.161624      7.919650     -0.390918
  H      -4.397251      6.767581      1.664234
  H      -2.446803     -1.566075      5.159367
  H      -0.745241     -1.966696      4.788010
  H      -2.822054     -2.375101      3.036163
  H      -1.148810     -2.039495      2.473712
  H      -6.870332      2.656964      1.483610
  H      -4.003554      3.958649     -1.817906
  H      -1.658055      3.401969     -2.481384
  H      -0.359648      1.739966     -1.162109
  H      -1.333612      0.648430      0.818976
  H      -4.851007     -0.436256      5.890249
  H      -4.053727     -1.473988      7.102495
  H      -6.153641     -0.673389      7.938932
  H      -4.848185      0.094085      8.914175
  H      -6.351679      5.853650      7.642771
  H     -10.620927      5.976420      5.990402
  H     -12.231624      4.261268      5.143820
  H     -11.565444      1.866914      5.048343
  H      -9.300370      1.161047      5.750062
  N      -2.405568      2.316743      3.290687
  N      -2.247036      2.900916      2.065414
  H      -1.855054      3.860839      2.166588
  H      -1.608559      2.269251      1.421701
  H      -3.214984      2.932842      1.557298
100
Coordinates from ORCA-job orca E -6707.408517882326
  N      -2.364876      3.260250      5.909314
  Mo     -2.613357      1.448650      5.127773
  N      -3.110967      0.383451      6.718806
  C      -2.111575      0.077220      7.739660
  C      -1.132557      1.228367      7.926691
  N      -0.505394      1.618902      6.648044
  C      -0.053665      3.015609      6.642660
  C      -1.051262      3.843276      5.797296
  C       0.505240      0.673091      6.165832
  C       0.156175      0.413623      4.689484
  N      -1.242241      0.080006      4.685547
  H      -0.726083      3.823982      4.743787
  H      -1.037113      4.893220      6.129286
  H       0.947494      3.099433      6.203163
  H      -0.010017      3.404325      7.670207
  H       0.773781     -0.393997      4.267184
  H       0.336874      1.333191      4.104168
  H       0.426332     -0.274220      6.714816
  H       1.524158      1.068014      6.289473
  H      -2.593648     -0.115398      8.712781
  H      -1.575224     -0.851618      7.457787
  H      -1.694788      2.093404      8.301107
  H      -0.363006      0.956626      8.670400
  C      -3.332666      4.023660      6.672760
  C      -3.712026      5.368650      6.027300
  O      -4.850555      5.260489      5.147301
  C      -4.640794      5.169526      3.826049
  O      -3.554807      5.262470      3.271704
  C      -5.949237      4.969729      3.112008
  N      -6.802914      4.130907      3.681513
  C      -7.989796      3.945396      3.049130
  N      -8.409008      4.538535      1.945442
  C      -7.547529      5.420647      1.360452
  C      -7.947621      6.094691      0.181402
  C      -7.087854      6.983594     -0.426351
  C      -5.802733      7.232353      0.115004
  C      -5.382643      6.593074      1.261861
  C      -6.244691      5.671972      1.909937
  C      -1.582909     -1.317542      4.514328
  C      -1.984977     -1.656765      3.055983
  O      -2.387758     -0.494059      2.300923
  C      -3.390074      0.254374      2.823417
  O      -3.971221     -0.098209      3.882849
  C      -3.985960      1.166310      1.828318
  N      -5.249278      1.522699      2.078476
  C      -5.848816      2.374598      1.228990
  N      -5.323643      2.942132      0.148487
  C      -4.036606      2.615126     -0.141775
  C      -3.431159      3.217909     -1.276016
  C      -2.135440      2.915942     -1.631897
  C      -1.391679      1.984065     -0.876746
  C      -1.924115      1.380149      0.251514
  C      -3.281406      1.684794      0.680304
  C      -4.312893     -0.434656      6.841891
  C      -5.306066      0.016300      7.921058
  O      -5.817189      1.351152      7.713178
  C      -6.781077      1.486865      6.772281
  O      -7.157108      0.581551      6.049320
  C      -7.335898      2.887398      6.763044
  N      -6.550980      3.825835      7.271360
  C      -7.038487      5.087897      7.315183
  N      -8.220539      5.502237      6.905065
  C      -9.050536      4.549946      6.390230
  C     -10.338645      4.938156      5.947410
  C     -11.211098      3.994418      5.450323
  C     -10.831094      2.633263      5.376857
  C      -9.579403      2.223200      5.788435
  C      -8.655115      3.170853      6.300451
  H      -2.925181      4.266815      7.674783
  H      -4.256212      3.445084      6.818040
  H      -2.873075      5.785328      5.454506
  H      -4.026490      6.078439      6.803820
  H      -8.667557      3.224889      3.519968
  H      -8.940732      5.886069     -0.216327
  H      -7.396366      7.503946     -1.333921
  H      -5.139029      7.939874     -0.383373
  H      -4.389769      6.774210      1.670854
  H      -2.429955     -1.562921      5.166058
  H      -0.728319     -1.956244      4.792612
  H      -2.806811     -2.387202      3.050957
  H      -1.137350     -2.047665      2.481232
  H      -6.889388      2.617233      1.464925
  H      -4.039344      3.918043     -1.848600
  H      -1.687420      3.377565     -2.512104
  H      -0.379526      1.723492     -1.187504
  H      -1.349138      0.629310      0.794350
  H      -4.842772     -0.435739      5.883970
  H      -4.045408     -1.479953      7.089184
  H      -6.144939     -0.694737      7.930641
  H      -4.842328      0.065592      8.914195
  H      -6.366591      5.839724      7.742033
  H     -10.608494      5.991578      6.022706
  H     -12.204832      4.293311      5.114605
  H     -11.537431      1.899004      4.988019
  H      -9.286295      1.178344      5.719962
  N      -2.398977      2.321282      3.325038
  N      -2.230591      2.918967      2.108966
  H      -1.841495      3.878893      2.217537
  H      -1.599384      2.287563      1.453113
  H      -3.192810      2.948077      1.590551
100
Coordinates from ORCA-job orca E -6707.431120659693
  N      -2.337732      3.271099      5.918063
  Mo     -2.601945      1.463992      5.135761
  N      -3.104089      0.395661      6.729356
  C      -2.099316      0.084825      7.745285
  C      -1.112889      1.229545      7.930024
  N      -0.485435      1.618381      6.649558
  C      -0.027477      3.014163      6.642155
  C      -1.023304      3.849242      5.800963
  C       0.515513      0.665087      6.157819
  C       0.156155      0.408977      4.682519
  N      -1.243882      0.080089      4.683918
  H      -0.701966      3.830377      4.745971
  H      -1.003898      4.899327      6.133809
  H       0.973687      3.090908      6.200545
  H       0.022134      3.400162      7.670700
  H       0.766586     -0.402495      4.255845
  H       0.340289      1.327466      4.095968
  H       0.432953     -0.282478      6.706219
  H       1.537635      1.053844      6.278755
  H      -2.578556     -0.106117      8.720657
  H      -1.569349     -0.847543      7.461978
  H      -1.666331      2.099618      8.306392
  H      -0.342538      0.952843      8.671654
  C      -3.305540      4.028214      6.688988
  C      -3.685621      5.376967      6.057539
  O      -4.826205      5.271135      5.177024
  C      -4.616549      5.188069      3.856833
  O      -3.531292      5.273045      3.299943
  C      -5.930187      5.000260      3.142653
  N      -6.787380      4.167196      3.713671
  C      -7.976605      3.986653      3.082259
  N      -8.393840      4.582621      1.979816
  C      -7.527152      5.458694      1.393033
  C      -7.924803      6.133181      0.212993
  C      -7.060487      7.015053     -0.398333
  C      -5.772536      7.256619      0.140321
  C      -5.354566      6.617145      1.287893
  C      -6.221952      5.703172      1.939660
  C      -1.596499     -1.315434      4.516826
  C      -2.012084     -1.663350      3.064824
  O      -2.421301     -0.507715      2.295095
  C      -3.412102      0.249892      2.815065
  O      -3.972049     -0.071461      3.894225
  C      -4.017552      1.159370      1.815196
  N      -5.274180      1.524041      2.081090
  C      -5.879373      2.374385      1.232250
  N      -5.363025      2.933943      0.144339
  C      -4.078528      2.600080     -0.155183
  C      -3.480732      3.200633     -1.294888
  C      -2.187552      2.896183     -1.657677
  C      -1.442977      1.963470     -0.903853
  C      -1.971382      1.365060      0.228889
  C      -3.319878      1.672633      0.662789
  C      -4.310457     -0.416606      6.861650
  C      -5.295058      0.038072      7.944067
  O      -5.810535      1.372605      7.729455
  C      -6.780039      1.482540      6.791249
  O      -7.153068      0.560213      6.089046
  C      -7.346366      2.881280      6.747355
  N      -6.571171      3.841369      7.228208
  C      -7.068666      5.101576      7.226716
  N      -8.251822      5.492828      6.798165
  C      -9.071732      4.516883      6.311168
  C     -10.359591      4.881576      5.847323
  C     -11.221675      3.916561      5.373655
  C     -10.830629      2.556595      5.345129
  C      -9.578915      2.168885      5.777948
  C      -8.665474      3.138990      6.267949
  H      -2.896980      4.261271      7.693579
  H      -4.227097      3.446687      6.834647
  H      -2.847618      5.801864      5.489446
  H      -4.002344      6.079032      6.840183
  H      -8.657395      3.271537      3.556540
  H      -8.920213      5.929901     -0.182906
  H      -7.367279      7.535543     -1.306901
  H      -5.105370      7.959254     -0.361242
  H      -4.359697      6.793487      1.694462
  H      -2.437946     -1.555567      5.177878
  H      -0.742552     -1.957225      4.792113
  H      -2.836219     -2.391285      3.072082
  H      -1.171227     -2.062874      2.485878
  H      -6.916036      2.626848      1.478414
  H      -4.092208      3.901167     -1.864373
  H      -1.742957      3.354640     -2.541764
  H      -0.433643      1.696416     -1.219978
  H      -1.398442      0.608293      0.765644
  H      -4.845353     -0.421578      5.906577
  H      -4.042236     -1.462134      7.109549
  H      -6.134567     -0.672335      7.963203
  H      -4.826435      0.091548      8.934950
  H      -6.402951      5.872610      7.628888
  H     -10.637213      5.935345      5.887213
  H     -12.215242      4.197729      5.021251
  H     -11.528725      1.805101      4.973532
  H      -9.277765      1.124435      5.742980
  N      -2.393568      2.327461      3.360563
  N      -2.216483      2.937982      2.149992
  H      -1.820392      3.893194      2.262315
  H      -1.606685      2.305419      1.482131
  H      -3.170047      2.975350      1.631695
100
Coordinates from ORCA-job orca E -6707.450119604576
  N      -2.329096      3.285024      5.927330
  Mo     -2.602063      1.477105      5.133175
  N      -3.109384      0.400478      6.734027
  C      -2.097966      0.087312      7.753598
  C      -1.105146      1.229494      7.944159
  N      -0.470872      1.623295      6.664775
  C      -0.014228      3.022666      6.661630
  C      -1.009304      3.866299      5.819571
  C       0.525956      0.665264      6.163595
  C       0.164131      0.412116      4.683157
  N      -1.241951      0.082254      4.677994
  H      -0.683386      3.853568      4.765588
  H      -0.991389      4.915133      6.157772
  H       0.988923      3.099803      6.223888
  H       0.032968      3.402242      7.692884
  H       0.772715     -0.400423      4.254670
  H       0.352721      1.331315      4.098540
  H       0.439786     -0.283987      6.708852
  H       1.549539      1.050552      6.287117
  H      -2.578272     -0.104135      8.728815
  H      -1.570636     -0.846764      7.470014
  H      -1.654713      2.101768      8.321582
  H      -0.337299      0.948253      8.687205
  C      -3.303694      4.036140      6.702250
  C      -3.682300      5.387976      6.081438
  O      -4.818815      5.277406      5.193296
  C      -4.601791      5.201403      3.875051
  O      -3.514880      5.288438      3.321617
  C      -5.914369      5.011299      3.153651
  N      -6.769034      4.174521      3.722046
  C      -7.954955      3.985111      3.085998
  N      -8.371273      4.578496      1.982523
  C      -7.506565      5.458184      1.397887
  C      -7.903683      6.127930      0.214751
  C      -7.041999      7.012345     -0.396289
  C      -5.756840      7.261624      0.145742
  C      -5.339266      6.627284      1.296290
  C      -6.204467      5.710896      1.947947
  C      -1.596195     -1.316896      4.506432
  C      -2.016573     -1.671214      3.055032
  O      -2.439261     -0.524734      2.268787
  C      -3.430623      0.234165      2.777549
  O      -3.978591     -0.065463      3.868266
  C      -4.042540      1.143321      1.772902
  N      -5.296683      1.507275      2.046211
  C      -5.905951      2.356669      1.197565
  N      -5.393622      2.915496      0.108937
  C      -4.107491      2.583430     -0.191798
  C      -3.512950      3.188763     -1.330596
  C      -2.218102      2.890267     -1.691855
  C      -1.472921      1.958794     -0.936862
  C      -2.002138      1.359591      0.194461
  C      -3.346028      1.660821      0.624258
  C      -4.318061     -0.413761      6.876632
  C      -5.293855      0.039108      7.965362
  O      -5.813127      1.375152      7.754448
  C      -6.786086      1.478931      6.819587
  O      -7.157550      0.555206      6.118478
  C      -7.354831      2.879160      6.768390
  N      -6.584557      3.842807      7.248982
  C      -7.082427      5.103515      7.232026
  N      -8.261452      5.490798      6.790109
  C      -9.076219      4.510413      6.302710
  C     -10.358438      4.872775      5.821430
  C     -11.215067      3.905550      5.342751
  C     -10.823299      2.545547      5.326195
  C      -9.576911      2.160077      5.776083
  C      -8.669513      3.132557      6.272988
  H      -2.901126      4.258457      7.712284
  H      -4.224566      3.451604      6.840724
  H      -2.842934      5.822589      5.522839
  H      -4.008018      6.082438      6.867204
  H      -8.633050      3.267402      3.560671
  H      -8.897009      5.918440     -0.184029
  H      -7.348555      7.529014     -1.307489
  H      -5.091838      7.966658     -0.356017
  H      -4.346476      6.810384      1.705038
  H      -2.434892     -1.560964      5.169827
  H      -0.739936     -1.956407      4.781822
  H      -2.837123     -2.403197      3.068245
  H      -1.176172     -2.070931      2.475425
  H      -6.941876      2.611488      1.447117
  H      -4.127554      3.887886     -1.899161
  H      -1.773224      3.350742     -2.575131
  H      -0.462663      1.692210     -1.251764
  H      -1.430463      0.599183      0.727266
  H      -4.858925     -0.422280      5.924934
  H      -4.045905     -1.459180      7.122798
  H      -6.132785     -0.671922      7.991836
  H      -4.819113      0.092574      8.953535
  H      -6.419276      5.878056      7.632114
  H     -10.635811      5.927262      5.851440
  H     -12.204344      4.185141      4.976364
  H     -11.516855      1.791907      4.949531
  H      -9.275633      1.115324      5.749275
  N      -2.395778      2.333773      3.382734
  N      -2.207799      2.957715      2.176290
  H      -1.811077      3.910182      2.295531
  H      -1.612037      2.330115      1.500703
  H      -3.148999      2.997738      1.653261
100
Coordinates from ORCA-job orca E -6707.463566804339
  N      -2.347243      3.283700      5.925200
  Mo     -2.597919      1.481903      5.125265
  N      -3.112546      0.393782      6.715885
  C      -2.108578      0.085817      7.736811
  C      -1.128909      1.232809      7.942980
  N      -0.482663      1.638961      6.676891
  C      -0.044049      3.040730      6.679415
  C      -1.038831      3.875352      5.831348
  C       0.521152      0.692696      6.176925
  C       0.170935      0.441985      4.697472
  N      -1.225842      0.097324      4.677538
  H      -0.703075      3.868859      4.780611
  H      -1.035797      4.923266      6.172215
  H       0.963336      3.126734      6.252928
  H      -0.010382      3.418882      7.711649
  H       0.790435     -0.363780      4.271804
  H       0.356227      1.363210      4.115514
  H       0.438197     -0.258749      6.718711
  H       1.540963      1.085240      6.310207
  H      -2.595507     -0.114452      8.706867
  H      -1.571960     -0.843069      7.454795
  H      -1.687595      2.100088      8.318378
  H      -0.367688      0.953967      8.693791
  C      -3.340646      4.010471      6.692773
  C      -3.734891      5.359175      6.076533
  O      -4.857807      5.235609      5.169973
  C      -4.626519      5.174670      3.853953
  O      -3.535269      5.274164      3.311123
  C      -5.932649      4.984930      3.116572
  N      -6.788523      4.138108      3.667924
  C      -7.967026      3.946941      3.017199
  N      -8.375010      4.548378      1.915207
  C      -7.508320      5.436688      1.346943
  C      -7.896438      6.112837      0.164347
  C      -7.032974      7.005626     -0.431731
  C      -5.755028      7.257789      0.125852
  C      -5.346402      6.617655      1.276497
  C      -6.213404      5.691985      1.912654
  C      -1.567442     -1.299644      4.505294
  C      -1.973794     -1.671843      3.057110
  O      -2.411482     -0.544344      2.249865
  C      -3.411309      0.203261      2.743768
  O      -3.945679     -0.072650      3.843178
  C      -4.032974      1.102372      1.728212
  N      -5.290530      1.447799      2.001966
  C      -5.912405      2.284919      1.148148
  N      -5.406451      2.850444      0.061102
  C      -4.113179      2.538965     -0.233935
  C      -3.522731      3.155587     -1.368575
  C      -2.219755      2.879254     -1.720272
  C      -1.464179      1.960245     -0.959245
  C      -1.993054      1.353144      0.167432
  C      -3.340908      1.631096      0.583142
  C      -4.315588     -0.423647      6.844169
  C      -5.290439      0.005325      7.942144
  O      -5.813654      1.347515      7.772581
  C      -6.786244      1.486775      6.842816
  O      -7.157706      0.594602      6.102055
  C      -7.351510      2.890122      6.850119
  N      -6.585589      3.826161      7.387705
  C      -7.076281      5.089956      7.416582
  N      -8.244848      5.503413      6.971137
  C      -9.055091      4.550656      6.424536
  C     -10.323981      4.943897      5.932197
  C     -11.174562      4.006311      5.388198
  C     -10.789041      2.646378      5.315177
  C      -9.555440      2.231828      5.774640
  C      -8.654951      3.173191      6.339659
  H      -2.954973      4.229112      7.710374
  H      -4.252096      3.408349      6.818409
  H      -2.896128      5.816099      5.535391
  H      -4.087462      6.040115      6.862219
  H      -8.645210      3.220832      3.478405
  H      -8.884359      5.900978     -0.246272
  H      -7.332476      7.527007     -1.342513
  H      -5.088990      7.970321     -0.363669
  H      -4.359639      6.805036      1.697276
  H      -2.404499     -1.550916      5.168659
  H      -0.706442     -1.929918      4.787023
  H      -2.783760     -2.415302      3.071685
  H      -1.125566     -2.066002      2.485465
  H      -6.951364      2.525752      1.395006
  H      -4.145392      3.844600     -1.940630
  H      -1.775759      3.347893     -2.599615
  H      -0.447241      1.710331     -1.266121
  H      -1.414684      0.599320      0.701699
  H      -4.851944     -0.421338      5.889422
  H      -4.040005     -1.471974      7.073840
  H      -6.128669     -0.706669      7.956512
  H      -4.813491      0.035573      8.930152
  H      -6.416221      5.841982      7.861496
  H     -10.595503      5.997731      6.005269
  H     -12.153213      4.309549      5.012413
  H     -11.477051      1.916149      4.886038
  H      -9.259171      1.187977      5.703213
  N      -2.396414      2.330784      3.402145
  N      -2.196300      2.971553      2.204617
  H      -1.811341      3.926107      2.331680
  H      -1.603358      2.360972      1.529933
  H      -3.118008      3.005838      1.675362
100
Coordinates from ORCA-job orca E -6707.473651487184
  N      -2.297309      3.296424      5.940906
  Mo     -2.576667      1.502672      5.140025
  N      -3.096425      0.418125      6.732957
  C      -2.089824      0.104026      7.744686
  C      -1.095569      1.237140      7.942829
  N      -0.448736      1.634138      6.676086
  C       0.002904      3.028988      6.672362
  C      -0.989105      3.874058      5.833756
  C       0.535369      0.676601      6.163490
  C       0.168106      0.429841      4.689866
  N      -1.228658      0.098119      4.680534
  H      -0.662762      3.865491      4.779850
  H      -0.972193      4.921565      6.175997
  H       1.009043      3.101970      6.240202
  H       0.048404      3.408338      7.703865
  H       0.776309     -0.382753      4.259870
  H       0.359608      1.347701      4.104216
  H       0.445444     -0.273595      6.706647
  H       1.561675      1.055641      6.288285
  H      -2.571152     -0.090100      8.718991
  H      -1.564828     -0.831640      7.462447
  H      -1.639411      2.113186      8.319778
  H      -0.335268      0.949312      8.691663
  C      -3.276979      4.019684      6.724613
  C      -3.672764      5.375197      6.125935
  O      -4.804131      5.260316      5.227757
  C      -4.583838      5.209884      3.910090
  O      -3.494993      5.300031      3.360375
  C      -5.896488      5.038793      3.179656
  N      -6.758499      4.199386      3.733289
  C      -7.941558      4.021986      3.087150
  N      -8.348403      4.630269      1.988756
  C      -7.474857      5.509365      1.417233
  C      -7.861216      6.189985      0.236764
  C      -6.991018      7.073478     -0.363316
  C      -5.708365      7.311944      0.188900
  C      -5.301562      6.667145      1.337645
  C      -6.174952      5.750254      1.977543
  C      -1.588925     -1.292020      4.519654
  C      -2.013934     -1.678935      3.082231
  O      -2.459475     -0.563444      2.259398
  C      -3.444592      0.196017      2.754310
  O      -3.950035     -0.040536      3.871152
  C      -4.077476      1.094080      1.736390
  N      -5.325626      1.447300      2.035662
  C      -5.962148      2.281582      1.187288
  N      -5.474763      2.838404      0.088690
  C      -4.187622      2.519869     -0.228669
  C      -3.612976      3.129804     -1.374455
  C      -2.315690      2.846618     -1.743208
  C      -1.551478      1.928525     -0.988736
  C      -2.067773      1.329589      0.147236
  C      -3.405547      1.614223      0.576164
  C      -4.303422     -0.387283      6.871624
  C      -5.273642      0.055989      7.966417
  O      -5.806059      1.390735      7.767070
  C      -6.786986      1.481192      6.840746
  O      -7.157786      0.550161      6.148826
  C      -7.369431      2.876168      6.780419
  N      -6.612385      3.851916      7.257817
  C      -7.116994      5.109839      7.206680
  N      -8.290167      5.482022      6.737622
  C      -9.091070      4.488757      6.253327
  C     -10.363577      4.837950      5.737782
  C     -11.204075      3.859947      5.252607
  C     -10.804287      2.502349      5.264248
  C      -9.566835      2.129668      5.748399
  C      -8.676222      3.113223      6.254386
  H      -2.880913      4.225165      7.741151
  H      -4.188507      3.419926      6.858354
  H      -2.838434      5.838234      5.583299
  H      -4.019280      6.048345      6.920292
  H      -8.625214      3.303720      3.550400
  H      -8.853090      5.988673     -0.169172
  H      -7.288900      7.598197     -1.272513
  H      -5.037452      8.018104     -0.302836
  H      -4.311791      6.846322      1.754321
  H      -2.417822     -1.532774      5.197698
  H      -0.731109     -1.930391      4.794432
  H      -2.827620     -2.417863      3.114092
  H      -1.175484     -2.085666      2.505105
  H      -6.993471      2.531593      1.454649
  H      -4.240887      3.819092     -1.940112
  H      -1.882347      3.310395     -2.630244
  H      -0.539859      1.674300     -1.308764
  H      -1.485945      0.574257      0.674874
  H      -4.842306     -0.395919      5.918063
  H      -4.030096     -1.434593      7.110723
  H      -6.111178     -0.656224      7.998240
  H      -4.793904      0.104903      8.952245
  H      -6.465209      5.895865      7.601244
  H     -10.645460      5.891411      5.745391
  H     -12.185238      4.129200      4.858407
  H     -11.484069      1.739906      4.880775
  H      -9.260098      1.086607      5.741196
  N      -2.394845      2.333115      3.430983
  N      -2.192391      2.982210      2.233516
  H      -1.796977      3.932178      2.354363
  H      -1.628068      2.375387      1.553655
  H      -3.106135      3.028861      1.718214
100
Coordinates from ORCA-job orca E -6707.481314375254
  N      -2.321031      3.302274      5.942110
  Mo     -2.570212      1.513967      5.119658
  N      -3.116970      0.410484      6.696580
  C      -2.121963      0.094975      7.718386
  C      -1.140596      1.235113      7.940715
  N      -0.472547      1.649363      6.691201
  C      -0.033995      3.048420      6.704153
  C      -1.019146      3.894089      5.856393
  C       0.526968      0.704466      6.183475
  C       0.185937      0.465322      4.703174
  N      -1.206446      0.117678      4.670375
  H      -0.676001      3.896683      4.807434
  H      -1.015635      4.939284      6.207419
  H       0.979699      3.131591      6.291714
  H      -0.008926      3.421403      7.738996
  H       0.811097     -0.337783      4.278089
  H       0.379003      1.388379      4.125459
  H       0.436400     -0.250731      6.718238
  H       1.548372      1.090253      6.328980
  H      -2.613543     -0.110390      8.685804
  H      -1.585267     -0.835449      7.438465
  H      -1.697135      2.104096      8.315506
  H      -0.392156      0.947517      8.702181
  C      -3.323592      3.998370      6.720401
  C      -3.736214      5.351835      6.128404
  O      -4.847222      5.215622      5.207463
  C      -4.606145      5.179667      3.893094
  O      -3.509819      5.290642      3.361258
  C      -5.903620      4.988160      3.141984
  N      -6.758026      4.131934      3.682485
  C      -7.927728      3.932476      3.020344
  N      -8.329286      4.531415      1.915564
  C      -7.464395      5.425990      1.355456
  C      -7.846942      6.096584      0.168359
  C      -6.986255      6.996519     -0.420690
  C      -5.718011      7.262630      0.150700
  C      -5.315392      6.628178      1.306643
  C      -6.178033      5.693524      1.934999
  C      -1.552569     -1.274640      4.505160
  C      -1.951990     -1.673126      3.064032
  O      -2.407982     -0.569573      2.225950
  C      -3.406266      0.180084      2.704181
  O      -3.905174     -0.033797      3.823947
  C      -4.043954      1.066960      1.671455
  N      -5.299226      1.397158      1.962383
  C      -5.947446      2.213701      1.102893
  N      -5.462738      2.775978      0.008198
  C      -4.166554      2.482066     -0.297938
  C      -3.592476      3.099650     -1.439045
  C      -2.286342      2.838579     -1.792415
  C      -1.512620      1.936920     -1.027514
  C      -2.031366      1.332549      0.103407
  C      -3.375638      1.594282      0.512914
  C      -4.323368     -0.397560      6.814532
  C      -5.291082      0.016436      7.923115
  O      -5.822584      1.358671      7.775662
  C      -6.808107      1.499808      6.861507
  O      -7.186991      0.608870      6.121798
  C      -7.383014      2.897687      6.884694
  N      -6.622814      3.834105      7.431799
  C      -7.115205      5.096985      7.454219
  N      -8.279285      5.509250      6.997498
  C      -9.083790      4.557328      6.442264
  C     -10.345298      4.953104      5.934073
  C     -11.187820      4.018349      5.373488
  C     -10.800504      2.659491      5.300446
  C      -9.573874      2.242696      5.776065
  C      -8.681400      3.180522      6.359062
  H      -2.949620      4.198013      7.747007
  H      -4.226754      3.381568      6.835022
  H      -2.902978      5.841144      5.607667
  H      -4.115762      6.008359      6.921485
  H      -8.603729      3.200432      3.473298
  H      -8.828335      5.874434     -0.251426
  H      -7.281143      7.513540     -1.335034
  H      -5.055129      7.982749     -0.331182
  H      -4.337414      6.832214      1.738364
  H      -2.384824     -1.527945      5.174861
  H      -0.691545     -1.905861      4.789402
  H      -2.754597     -2.424727      3.085571
  H      -1.100212     -2.069127      2.499115
  H      -6.985422      2.442197      1.359010
  H      -4.225948      3.776082     -2.013651
  H      -1.851870      3.308607     -2.675439
  H      -0.493173      1.701813     -1.336415
  H      -1.442330      0.588428      0.638304
  H      -4.859122     -0.388609      5.859468
  H      -4.051508     -1.450575      7.031930
  H      -6.129699     -0.694750      7.939940
  H      -4.806598      0.033866      8.907627
  H      -6.461295      5.850676      7.903693
  H     -10.616517      6.006660      6.006991
  H     -12.160176      4.323189      4.983954
  H     -11.481111      1.931204      4.857203
  H      -9.277170      1.199612      5.702926
  N      -2.384730      2.343820      3.427637
  N      -2.164402      3.011667      2.236659
  H      -1.780892      3.964696      2.363166
  H      -1.597159      2.423099      1.566170
  H      -3.062355      3.055656      1.712693
100
Coordinates from ORCA-job orca E -6707.487397404212
  N      -2.298020      3.314815      5.956531
  Mo     -2.550433      1.530209      5.127305
  N      -3.107515      0.422934      6.703381
  C      -2.110865      0.105703      7.723067
  C      -1.125321      1.242319      7.944499
  N      -0.452398      1.656160      6.697846
  C      -0.011705      3.054915      6.710920
  C      -0.996891      3.905659      5.866366
  C       0.542610      0.709288      6.183908
  C       0.198649      0.472718      4.704314
  N      -1.193782      0.125344      4.671541
  H      -0.656286      3.910032      4.816736
  H      -0.989979      4.950039      6.219955
  H       1.002833      3.135519      6.299969
  H       0.014989      3.427611      7.745948
  H       0.824468     -0.329505      4.278081
  H       0.393205      1.395108      4.126350
  H       0.449936     -0.246130      6.718069
  H       1.565849      1.090473      6.329621
  H      -2.598311     -0.098875      8.692798
  H      -1.576523     -0.826452      7.444200
  H      -1.678100      2.113538      8.319279
  H      -0.380068      0.952073      8.708376
  C      -3.297363      3.998782      6.747633
  C      -3.718710      5.355077      6.168426
  O      -4.827501      5.217043      5.244344
  C      -4.585501      5.197724      3.929666
  O      -3.488673      5.319921      3.400717
  C      -5.881362      5.020842      3.172720
  N      -6.740532      4.159999      3.699339
  C      -7.908546      3.972718      3.031360
  N      -8.304488      4.585823      1.932413
  C      -7.434500      5.483059      1.384995
  C      -7.810676      6.167093      0.203636
  C      -6.945538      7.071043     -0.372557
  C      -5.679753      7.328864      0.207713
  C      -5.283449      6.681223      1.358566
  C      -6.149622      5.740526      1.972761
  C      -1.542080     -1.266508      4.516308
  C      -1.946492     -1.680538      3.080852
  O      -2.421100     -0.591423      2.229915
  C      -3.416382      0.159409      2.708281
  O      -3.889438     -0.019316      3.842303
  C      -4.070409      1.034886      1.670734
  N      -5.323501      1.354623      1.977722
  C      -5.994640      2.154147      1.117680
  N      -5.531657      2.710470      0.011961
  C      -4.236657      2.426786     -0.310490
  C      -3.682800      3.038706     -1.464126
  C      -2.378733      2.784948     -1.830334
  C      -1.586219      1.898262     -1.066465
  C      -2.086495      1.300291      0.075705
  C      -3.426839      1.554151      0.495374
  C      -4.314981     -0.381838      6.822739
  C      -5.282092      0.032251      7.930932
  O      -5.825007      1.368472      7.773048
  C      -6.815432      1.490158      6.862037
  O      -7.191849      0.584834      6.138187
  C      -7.397726      2.884153      6.862731
  N      -6.645419      3.833708      7.399120
  C      -7.141086      5.095300      7.388603
  N      -8.299854      5.495422      6.907995
  C      -9.095995      4.530559      6.363781
  C     -10.351164      4.913422      5.830701
  C     -11.184693      3.965602      5.278780
  C     -10.794755      2.606137      5.241117
  C      -9.574393      2.201495      5.742444
  C      -8.690396      3.153005      6.316095
  H      -2.921279      4.189993      7.775387
  H      -4.197738      3.377769      6.863109
  H      -2.889073      5.858009      5.654921
  H      -4.105207      6.000125      6.967053
  H      -8.588952      3.238132      3.473104
  H      -8.790971      5.951709     -0.222083
  H      -7.235446      7.598421     -1.282527
  H      -5.013873      8.053988     -0.262310
  H      -4.308378      6.882737      1.797996
  H      -2.367450     -1.520156      5.194292
  H      -0.679137     -1.897042      4.797990
  H      -2.742395     -2.438976      3.112153
  H      -1.095358     -2.074526      2.513849
  H      -7.030698      2.375015      1.387629
  H      -4.328103      3.704330     -2.038190
  H      -1.959090      3.251425     -2.722426
  H      -0.568080      1.671967     -1.385990
  H      -1.483990      0.567602      0.611218
  H      -4.850110     -0.376965      5.867316
  H      -4.044654     -1.435147      7.042530
  H      -6.115836     -0.684375      7.955682
  H      -4.795924      0.060151      8.914345
  H      -6.496540      5.860392      7.831771
  H     -10.624425      5.967898      5.877549
  H     -12.151950      4.260384      4.869373
  H     -11.468129      1.867186      4.804563
  H      -9.275753      1.157431      5.695960
  N      -2.387928      2.349404      3.438294
  N      -2.170653      3.024574      2.246554
  H      -1.787798      3.978287      2.364755
  H      -1.613168      2.441996      1.575172
  H      -3.069529      3.072666      1.731251
100
Coordinates from ORCA-job orca E -6707.492232008875
  N      -2.278774      3.327566      5.975125
  Mo     -2.534881      1.551572      5.128618
  N      -3.112266      0.435044      6.695763
  C      -2.118304      0.106341      7.714818
  C      -1.125863      1.234745      7.946232
  N      -0.442914      1.653220      6.707075
  C       0.004209      3.050144      6.730334
  C      -0.974840      3.912566      5.889172
  C       0.547769      0.704955      6.186711
  C       0.206920      0.480517      4.704820
  N      -1.186645      0.137969      4.663715
  H      -0.633040      3.922038      4.840150
  H      -0.962563      4.954372      6.250121
  H       1.021300      3.127660      6.325019
  H       0.029434      3.416564      7.767731
  H       0.833049     -0.319836      4.275156
  H       0.407285      1.405439      4.133246
  H       0.448282     -0.253458      6.714524
  H       1.573097      1.078112      6.339033
  H      -2.605995     -0.101683      8.683852
  H      -1.588798     -0.827552      7.432507
  H      -1.674047      2.107485      8.324123
  H      -0.387583      0.935128      8.713502
  C      -3.272448      4.004022      6.778801
  C      -3.693946      5.365467      6.212453
  O      -4.796880      5.232597      5.280960
  C      -4.550113      5.228946      3.967123
  O      -3.451099      5.351841      3.442567
  C      -5.841331      5.040877      3.205886
  N      -6.696464      4.176777      3.734019
  C      -7.860586      3.977053      3.063304
  N      -8.254301      4.575699      1.955563
  C      -7.388265      5.474734      1.405197
  C      -7.763858      6.145224      0.215748
  C      -6.905499      7.055042     -0.361426
  C      -5.648179      7.334135      0.227446
  C      -5.252504      6.699875      1.386053
  C      -6.110119      5.750748      1.999916
  C      -1.538810     -1.252496      4.510830
  C      -1.943647     -1.672874      3.077258
  O      -2.433293     -0.593100      2.219152
  C      -3.426041      0.158057      2.698519
  O      -3.878595      0.008046      3.842783
  C      -4.090746      1.026977      1.659084
  N      -5.344112      1.335867      1.974566
  C      -6.031828      2.121649      1.113306
  N      -5.583433      2.676142      0.001478
  C      -4.288611      2.402669     -0.330698
  C      -3.748820      3.011313     -1.492506
  C      -2.445938      2.763893     -1.867435
  C      -1.639385      1.888554     -1.104623
  C      -2.126143      1.293668      0.044909
  C      -3.464794      1.540448      0.471981
  C      -4.323944     -0.362419      6.813256
  C      -5.282577      0.049934      7.928585
  O      -5.827296      1.384676      7.768842
  C      -6.829098      1.492393      6.869010
  O      -7.215241      0.573186      6.167965
  C      -7.415706      2.884044      6.852988
  N      -6.665090      3.844565      7.372580
  C      -7.161742      5.105187      7.335686
  N      -8.318979      5.495440      6.842541
  C      -9.113947      4.519372      6.317163
  C     -10.367402      4.890955      5.771927
  C     -11.199212      3.931752      5.237302
  C     -10.809468      2.571628      5.230347
  C      -9.590842      2.177517      5.744246
  C      -8.707878      3.141132      6.299547
  H      -2.894651      4.184355      7.808122
  H      -4.173916      3.383775      6.891561
  H      -2.863105      5.877300      5.709772
  H      -4.087841      6.000323      7.015840
  H      -8.538303      3.241569      3.507153
  H      -8.738942      5.915434     -0.214540
  H      -7.195262      7.572168     -1.277392
  H      -4.988716      8.066074     -0.241214
  H      -4.285951      6.922638      1.833593
  H      -2.360889     -1.507886      5.192190
  H      -0.676224     -1.885079      4.790274
  H      -2.732804     -2.438338      3.111706
  H      -1.091003     -2.061249      2.508771
  H      -7.068939      2.329872      1.387916
  H      -4.402498      3.668668     -2.066726
  H      -2.037019      3.228712     -2.765492
  H      -0.621723      1.670677     -1.431649
  H      -1.512913      0.571088      0.582095
  H      -4.863309     -0.351836      5.860386
  H      -4.058588     -1.418574      7.026575
  H      -6.115948     -0.666969      7.960390
  H      -4.789481      0.078764      8.908561
  H      -6.519900      5.880113      7.765706
  H     -10.640529      5.946297      5.795782
  H     -12.164975      4.217902      4.818192
  H     -11.481419      1.823429      4.807389
  H      -9.292384      1.132656      5.720897
  N      -2.388018      2.371983      3.444350
  N      -2.171494      3.057699      2.256868
  H      -1.786943      4.011270      2.373895
  H      -1.615314      2.480090      1.582531
  H      -3.073393      3.116165      1.745767
100
Coordinates from ORCA-job orca E -6707.496129666326
  N      -2.275446      3.335954      5.987827
  Mo     -2.521030      1.563012      5.131611
  N      -3.107564      0.440752      6.695060
  C      -2.112067      0.110805      7.713755
  C      -1.120664      1.239666      7.949358
  N      -0.433841      1.663397      6.714209
  C       0.008817      3.062402      6.742031
  C      -0.972245      3.925046      5.902127
  C       0.560123      0.719651      6.190928
  C       0.223230      0.499542      4.707422
  N      -1.169431      0.151179      4.660517
  H      -0.631225      3.937714      4.852951
  H      -0.962376      4.965913      6.265929
  H       1.026899      3.144094      6.339891
  H       0.031213      3.426102      7.780552
  H       0.855255     -0.295516      4.276172
  H       0.421212      1.427098      4.139460
  H       0.462002     -0.240651      6.715979
  H       1.584590      1.093701      6.347357
  H      -2.597238     -0.100483      8.683424
  H      -1.581459     -0.821989      7.429814
  H      -1.670907      2.110819      8.327971
  H      -0.385375      0.939614      8.719556
  C      -3.267011      4.000321      6.803606
  C      -3.700178      5.361831      6.247285
  O      -4.795589      5.220911      5.308369
  C      -4.539856      5.235025      3.996313
  O      -3.440594      5.391312      3.481358
  C      -5.824496      5.057870      3.220907
  N      -6.680710      4.178695      3.722111
  C      -7.837624      3.988582      3.036678
  N      -8.222510      4.606128      1.936110
  C      -7.354594      5.518449      1.411808
  C      -7.720148      6.208795      0.230483
  C      -6.861190      7.135051     -0.318903
  C      -5.613788      7.412428      0.291703
  C      -5.227766      6.758541      1.442651
  C      -6.085000      5.790193      2.026596
  C      -1.513492     -1.242466      4.517292
  C      -1.917546     -1.677756      3.087914
  O      -2.434354     -0.615005      2.221627
  C      -3.430805      0.129195      2.701550
  O      -3.861332      0.005291      3.855462
  C      -4.116518      0.980153      1.660049
  N      -5.372776      1.267310      1.984653
  C      -6.085648      2.028423      1.121116
  N      -5.658076      2.581265      0.000583
  C      -4.361911      2.328816     -0.342557
  C      -3.844858      2.934034     -1.516206
  C      -2.542105      2.703958     -1.902396
  C      -1.711819      1.851548     -1.138913
  C      -2.176332      1.260002      0.021343
  C      -3.514357      1.488238      0.458958
  C      -4.319554     -0.355294      6.814443
  C      -5.272652      0.054086      7.935736
  O      -5.820793      1.387374      7.775115
  C      -6.827272      1.487561      6.879248
  O      -7.209611      0.563426      6.182332
  C      -7.416776      2.877845      6.852455
  N      -6.677860      3.840952      7.384498
  C      -7.174328      5.100922      7.332538
  N      -8.319633      5.489451      6.810536
  C      -9.103180      4.511153      6.272863
  C     -10.343587      4.880809      5.697179
  C     -11.163921      3.919567      5.148950
  C     -10.775939      2.558930      5.159265
  C      -9.569946      2.166393      5.703254
  C      -8.697753      3.132454      6.271829
  H      -2.886299      4.176330      7.832607
  H      -4.164582      3.374214      6.916122
  H      -2.872673      5.888256      5.754099
  H      -4.105450      5.984801      7.054307
  H      -8.518258      3.243665      3.459785
  H      -8.688664      5.981008     -0.215460
  H      -7.143416      7.667569     -1.228409
  H      -4.954528      8.159318     -0.153104
  H      -4.270128      6.983472      1.908319
  H      -2.329824     -1.502961      5.203767
  H      -0.645330     -1.868006      4.796316
  H      -2.691723     -2.458130      3.130188
  H      -1.060404     -2.053243      2.517557
  H      -7.124266      2.218376      1.403588
  H      -4.514696      3.574132     -2.091364
  H      -2.150700      3.166733     -2.809337
  H      -0.693441      1.650571     -1.474538
  H      -1.543984      0.557350      0.562797
  H      -4.863695     -0.340836      5.864376
  H      -4.054983     -1.413054      7.021746
  H      -6.103570     -0.665273      7.972789
  H      -4.774395      0.085121      8.912971
  H      -6.544474      5.878070      7.775705
  H     -10.616064      5.936555      5.709307
  H     -12.119504      4.204350      4.706153
  H     -11.439063      1.808858      4.725751
  H      -9.272672      1.121122      5.693053
  N      -2.401403      2.381794      3.447606
  N      -2.199267      3.072763      2.260831
  H      -1.821462      4.030178      2.373581
  H      -1.637128      2.502515      1.584963
  H      -3.106409      3.133008      1.757046
100
Coordinates from ORCA-job orca E -6707.499404503869
  N      -2.267917      3.343882      6.002402
  Mo     -2.505246      1.581479      5.121786
  N      -3.118617      0.447600      6.668371
  C      -2.131732      0.103268      7.692014
  C      -1.137164      1.224864      7.948094
  N      -0.435331      1.658395      6.725232
  C       0.010197      3.056370      6.770825
  C      -0.961297      3.929309      5.930610
  C       0.561139      0.717656      6.201454
  C       0.239827      0.515337      4.712199
  N      -1.153188      0.169982      4.644395
  H      -0.613455      3.949659      4.883881
  H      -0.951026      4.966866      6.303733
  H       1.032511      3.139503      6.379645
  H       0.023882      3.409937      7.813057
  H       0.876443     -0.274667      4.278286
  H       0.445109      1.449047      4.157361
  H       0.454745     -0.247848      6.715582
  H       1.585335      1.085973      6.373103
  H      -2.624024     -0.115589      8.656376
  H      -1.603537     -0.829268      7.403138
  H      -1.687798      2.094674      8.329276
  H      -0.412286      0.914722      8.724266
  C      -3.255457      4.000738      6.829083
  C      -3.690184      5.365920      6.283736
  O      -4.775684      5.227684      5.333483
  C      -4.511671      5.258371      4.023464
  O      -3.409562      5.418448      3.515622
  C      -5.786860      5.046574      3.241028
  N      -6.629551      4.157827      3.748131
  C      -7.777834      3.936168      3.058010
  N      -8.163340      4.525162      1.941939
  C      -7.308882      5.445821      1.410370
  C      -7.676863      6.108377      0.213714
  C      -6.834938      7.047727     -0.339855
  C      -5.603689      7.367976      0.282790
  C      -5.215101      6.741095      1.447887
  C      -6.052923      5.757206      2.034672
  C      -1.494994     -1.224153      4.498277
  C      -1.888169     -1.661377      3.066862
  O      -2.420538     -0.607577      2.197552
  C      -3.421977      0.129698      2.675689
  O      -3.842549      0.021930      3.833378
  C      -4.115677      0.972880      1.633147
  N      -5.376359      1.241502      1.955930
  C      -6.100413      1.988751      1.089638
  N      -5.679984      2.546658     -0.031054
  C      -4.380951      2.311826     -0.373625
  C      -3.872475      2.920059     -1.549431
  C      -2.567446      2.704612     -1.936591
  C      -1.725082      1.865833     -1.171005
  C      -2.181106      1.270715     -0.009380
  C      -3.521879      1.482456      0.428607
  C      -4.335963     -0.341434      6.775229
  C      -5.286590      0.062674      7.901412
  O      -5.835886      1.397072      7.749858
  C      -6.857974      1.502054      6.871612
  O      -7.262531      0.577752      6.187463
  C      -7.444915      2.893898      6.861012
  N      -6.697781      3.850305      7.393781
  C      -7.187768      5.113031      7.353481
  N      -8.333597      5.511199      6.839328
  C      -9.126510      4.539977      6.302536
  C     -10.368645      4.920135      5.737142
  C     -11.199491      3.966674      5.191320
  C     -10.821003      2.603236      5.194540
  C      -9.613728      2.200347      5.728231
  C      -8.729705      3.158490      6.292514
  H      -2.872558      4.167769      7.858794
  H      -4.153315      3.374297      6.936877
  H      -2.860730      5.901678      5.803981
  H      -4.106738      5.977889      7.093676
  H      -8.449249      3.187054      3.488553
  H      -8.634507      5.850064     -0.239271
  H      -7.119554      7.559178     -1.260757
  H      -4.959439      8.127050     -0.163591
  H      -4.271973      7.002371      1.924135
  H      -2.313357     -1.489199      5.180721
  H      -0.626860     -1.848601      4.780296
  H      -2.649937     -2.454188      3.105190
  H      -1.023204     -2.022237      2.498864
  H      -7.143488      2.158104      1.367161
  H      -4.550237      3.550049     -2.126602
  H      -2.182829      3.170159     -2.845132
  H      -0.703706      1.679637     -1.506389
  H      -1.537919      0.582115      0.537584
  H      -4.878785     -0.312769      5.824850
  H      -4.078914     -1.403355      6.970471
  H      -6.116600     -0.657548      7.938833
  H      -4.784359      0.089556      8.876688
  H      -6.551587      5.884313      7.798289
  H     -10.634009      5.977698      5.755723
  H     -12.156349      4.259683      4.756477
  H     -11.492772      1.859110      4.763863
  H      -9.324268      1.152998      5.712878
  N      -2.395702      2.412087      3.446991
  N      -2.198990      3.114580      2.266912
  H      -1.823566      4.073066      2.388369
  H      -1.625930      2.555069      1.590584
  H      -3.106683      3.186071      1.763180
100
Coordinates from ORCA-job orca E -6707.502344910995
  N      -2.267657      3.347580      6.013351
  Mo     -2.491610      1.590214      5.119176
  N      -3.117921      0.452657      6.658103
  C      -2.133622      0.102336      7.683380
  C      -1.139356      1.221744      7.949210
  N      -0.431639      1.662042      6.732463
  C       0.009772      3.061410      6.786984
  C      -0.960609      3.935067      5.946581
  C       0.569704      0.726643      6.208626
  C       0.258339      0.534410      4.716050
  N      -1.133714      0.185617      4.634896
  H      -0.610910      3.958932      4.900604
  H      -0.953414      4.971585      6.322748
  H       1.033715      3.149533      6.400969
  H       0.018057      3.409646      7.831115
  H       0.900874     -0.249401      4.279559
  H       0.463937      1.473180      4.170192
  H       0.462233     -0.242181      6.716563
  H       1.592449      1.095085      6.388967
  H      -2.628104     -0.121256      8.645528
  H      -1.606027     -0.829252      7.390867
  H      -1.692275      2.089537      8.331601
  H      -0.419105      0.908465      8.728486
  C      -3.251774      3.995174      6.851233
  C      -3.696438      5.359460      6.312540
  O      -4.773474      5.212437      5.354001
  C      -4.500814      5.257062      4.046280
  O      -3.399612      5.449373      3.547591
  C      -5.769248      5.046203      3.251608
  N      -6.607982      4.142471      3.738402
  C      -7.748927      3.921706      3.036201
  N      -8.128522      4.520024      1.923036
  C      -7.277347      5.454400      1.410945
  C      -7.639013      6.127164      0.217928
  C      -6.802587      7.084009     -0.313432
  C      -5.584015      7.413167      0.329334
  C      -5.201130      6.775841      1.490635
  C      -6.031981      5.771797      2.053194
  C      -1.467171     -1.211797      4.495288
  C      -1.853594     -1.659600      3.065775
  O      -2.412300     -0.622218      2.192660
  C      -3.421392      0.103444      2.671337
  O      -3.827444      0.011055      3.833968
  C      -4.134000      0.930709      1.628865
  N      -5.397973      1.175932      1.956987
  C      -6.141598      1.903598      1.091079
  N      -5.737757      2.465022     -0.033933
  C      -4.437210      2.252594     -0.383154
  C      -3.947946      2.863249     -1.565803
  C      -2.642287      2.668678     -1.961384
  C      -1.779197      1.850993     -1.195955
  C      -2.216638      1.253443     -0.028875
  C      -3.557948      1.441449      0.416821
  C      -4.338377     -0.331330      6.763872
  C      -5.282004      0.070138      7.897023
  O      -5.832445      1.404141      7.750051
  C      -6.863437      1.505557      6.881985
  O      -7.268756      0.579945      6.200193
  C      -7.448735      2.898335      6.867718
  N      -6.708633      3.852921      7.413632
  C      -7.194719      5.116693      7.365950
  N      -8.328532      5.518659      6.828195
  C      -9.114760      4.549404      6.278338
  C     -10.344734      4.933299      5.689220
  C     -11.170119      3.981839      5.131916
  C     -10.798837      2.616479      5.148062
  C      -9.603372      2.209879      5.704841
  C      -8.723912      3.166148      6.279449
  H      -2.863079      4.160155      7.879057
  H      -4.146277      3.364075      6.959990
  H      -2.869439      5.906917      5.841720
  H      -4.124339      5.961768      7.123803
  H      -8.419274      3.163802      3.452144
  H      -8.588148      5.863008     -0.249386
  H      -7.082622      7.603502     -1.231247
  H      -4.945354      8.187810     -0.097934
  H      -4.269255      7.046183      1.983556
  H      -2.283745     -1.480812      5.178386
  H      -0.594843     -1.829224      4.780107
  H      -2.596869     -2.469694      3.107778
  H      -0.981318     -2.002131      2.497581
  H      -7.186553      2.052823      1.372326
  H      -4.640670      3.477766     -2.141927
  H      -2.272437      3.136132     -2.875064
  H      -0.755842      1.684342     -1.535665
  H      -1.555486      0.585663      0.522505
  H      -4.885242     -0.292669      5.816060
  H      -4.085698     -1.395777      6.949944
  H      -6.111204     -0.650705      7.938668
  H      -4.773463      0.096706      8.869022
  H      -6.566267      5.885965      7.824916
  H     -10.605669      5.992090      5.700039
  H     -12.117689      4.277733      4.679012
  H     -11.466872      1.873751      4.709204
  H      -9.319103      1.160947      5.699608
  N      -2.407328      2.425976      3.451081
  N      -2.231681      3.134803      2.271937
  H      -1.863966      4.096296      2.398206
  H      -1.648313      2.588873      1.595051
  H      -3.142149      3.210596      1.774694
100
Coordinates from ORCA-job orca E -6707.505040867725
  N      -2.265904      3.350579      6.025074
  Mo     -2.477799      1.599600      5.114332
  N      -3.117642      0.459110      6.644115
  C      -2.137490      0.100319      7.671603
  C      -1.142253      1.215862      7.948591
  N      -0.428480      1.663124      6.738085
  C       0.010405      3.063136      6.803124
  C      -0.958125      3.938892      5.963744
  C       0.577192      0.732665      6.214153
  C       0.277079      0.553994      4.717822
  N      -1.114162      0.203732      4.621307
  H      -0.606537      3.967172      4.918499
  H      -0.953046      4.974096      6.343722
  H       1.035892      3.155684      6.422017
  H       0.013782      3.404594      7.849528
  H       0.924596     -0.223590      4.277561
  H       0.484609      1.498714      4.183395
  H       0.467117     -0.240139      6.714127
  H       1.598608      1.099911      6.404655
  H      -2.635579     -0.128508      8.630559
  H      -1.611652     -0.830596      7.374411
  H      -1.696400      2.081901      8.333038
  H      -0.426712      0.897645      8.730227
  C      -3.244878      3.987196      6.877238
  C      -3.697648      5.353901      6.352235
  O      -4.766698      5.206183      5.384921
  C      -4.484631      5.274155      4.080636
  O      -3.382488      5.491402      3.594076
  C      -5.740993      5.046856      3.270879
  N      -6.569117      4.124887      3.741296
  C      -7.698068      3.889929      3.024627
  N      -8.072635      4.485864      1.908525
  C      -7.231537      5.437545      1.412151
  C      -7.588119      6.108319      0.216418
  C      -6.764015      7.085615     -0.296615
  C      -5.563996      7.438430      0.368171
  C      -5.185602      6.802619      1.531722
  C      -6.002518      5.776406      2.074521
  C      -1.440432     -1.196739      4.487001
  C      -1.817966     -1.652902      3.058545
  O      -2.402295     -0.631227      2.183991
  C      -3.420506      0.080229      2.664260
  O      -3.814641     -0.001948      3.830148
  C      -4.152292      0.891529      1.622766
  N      -5.419682      1.110613      1.955633
  C      -6.182941      1.818776      1.091107
  N      -5.795232      2.386640     -0.036391
  C      -4.492465      2.199723     -0.390928
  C      -4.022554      2.815798     -1.578658
  C      -2.716078      2.645359     -1.981932
  C      -1.832293      1.848715     -1.217725
  C      -2.251322      1.245895     -0.047115
  C      -3.592982      1.406988      0.405873
  C      -4.343052     -0.317657      6.745431
  C      -5.282934      0.082412      7.882134
  O      -5.832389      1.416861      7.736865
  C      -6.871084      1.516942      6.877858
  O      -7.285246      0.588473      6.205355
  C      -7.456178      2.910116      6.865331
  N      -6.720693      3.862385      7.421434
  C      -7.204236      5.126870      7.371769
  N      -8.329123      5.532717      6.818228
  C      -9.111151      4.565893      6.258378
  C     -10.332270      4.953832      5.653661
  C     -11.155185      4.004756      5.088861
  C     -10.790680      2.637712      5.113644
  C      -9.603495      2.227270      5.684966
  C      -8.725519      3.181173      6.265784
  H      -2.848095      4.146134      7.902856
  H      -4.136313      3.351947      6.986188
  H      -2.872672      5.913954      5.892805
  H      -4.135400      5.943001      7.167843
  H      -8.362246      3.121083      3.430074
  H      -8.524173      5.826898     -0.266870
  H      -7.040418      7.603835     -1.216221
  H      -4.936512      8.230331     -0.043665
  H      -4.269125      7.092291      2.042364
  H      -2.256783     -1.468667      5.169173
  H      -0.565002     -1.808054      4.775620
  H      -2.541547     -2.480636      3.102390
  H      -0.937878     -1.975189      2.490509
  H      -7.230117      1.945652      1.375506
  H      -4.730862      3.414411     -2.152554
  H      -2.360939      3.116654     -2.899427
  H      -0.806819      1.703447     -1.560842
  H      -1.571907      0.599510      0.507578
  H      -4.890477     -0.266736      5.798521
  H      -4.097482     -1.385224      6.922126
  H      -6.112142     -0.638152      7.925430
  H      -4.771567      0.108627      8.852622
  H      -6.581579      5.893500      7.842699
  H     -10.589037      6.013662      5.659859
  H     -12.096148      4.303679      4.624366
  H     -11.457449      1.896736      4.669977
  H      -9.324178      1.177069      5.686453
  N      -2.420384      2.443068      3.455629
  N      -2.271341      3.159370      2.276623
  H      -1.912974      4.123583      2.411264
  H      -1.677498      2.630396      1.598459
  H      -3.184348      3.238620      1.786697
100
Coordinates from ORCA-job orca E -6707.507548565502
  N      -2.264122      3.353062      6.038021
  Mo     -2.464976      1.607597      5.111919
  N      -3.114213      0.466255      6.634667
  C      -2.137261      0.100059      7.663560
  C      -1.140956      1.212105      7.949201
  N      -0.423903      1.665454      6.742959
  C       0.012286      3.066138      6.816871
  C      -0.956234      3.942487      5.979362
  C       0.586017      0.740205      6.218217
  C       0.295717      0.575644      4.718521
  N      -1.094562      0.223321      4.608015
  H      -0.604200      3.974065      4.934358
  H      -0.952952      4.976991      6.361393
  H       1.038554      3.162955      6.438729
  H       0.012511      3.401592      7.865215
  H       0.947862     -0.195220      4.273343
  H       0.504144      1.526478      4.195869
  H       0.474341     -0.236583      6.710202
  H       1.606007      1.106770      6.417824
  H      -2.638196     -0.133605      8.619770
  H      -1.613237     -0.830084      7.361489
  H      -1.695654      2.076526      8.336246
  H      -0.428275      0.889493      8.731611
  C      -3.237367      3.978379      6.904604
  C      -3.697139      5.346938      6.392435
  O      -4.756214      5.197811      5.414292
  C      -4.462669      5.286260      4.114206
  O      -3.359536      5.528400      3.640782
  C      -5.706399      5.047797      3.288532
  N      -6.522639      4.105534      3.738811
  C      -7.638968      3.858500      3.006708
  N      -8.008746      4.456408      1.890297
  C      -7.179227      5.428067      1.413634
  C      -7.531759      6.101935      0.218410
  C      -6.722238      7.102880     -0.271816
  C      -5.542343      7.477612      0.416489
  C      -5.167370      6.838505      1.579320
  C      -5.967587      5.786552      2.097499
  C      -1.412707     -1.180711      4.480113
  C      -1.781075     -1.645329      3.052984
  O      -2.393503     -0.640563      2.178781
  C      -3.422563      0.053044      2.662661
  O      -3.804597     -0.022804      3.831396
  C      -4.177502      0.845716      1.623170
  N      -5.447606      1.035285      1.963117
  C      -6.232906      1.723150      1.102194
  N      -5.864804      2.298541     -0.027950
  C      -4.560390      2.140598     -0.389817
  C      -4.113502      2.764242     -1.582552
  C      -2.806891      2.622102     -1.995502
  C      -1.899746      1.848597     -1.234663
  C      -2.297068      1.238659     -0.060641
  C      -3.638046      1.368675      0.401823
  C      -4.344287     -0.303711      6.733118
  C      -5.280816      0.094677      7.873077
  O      -5.832752      1.428139      7.727715
  C      -6.879154      1.523556      6.877365
  O      -7.296269      0.591905      6.211047
  C      -7.462650      2.917530      6.859650
  N      -6.734098      3.867513      7.428536
  C      -7.213334      5.133184      7.372319
  N      -8.325085      5.543290      6.795891
  C      -9.100828      4.578971      6.223133
  C     -10.308753      4.971656      5.595414
  C     -11.127292      4.025206      5.020089
  C     -10.771779      2.656148      5.057535
  C      -9.596832      2.241161      5.650425
  C      -8.722342      3.192304      6.241051
  H      -2.832369      4.132249      7.927892
  H      -4.125355      3.338980      7.014192
  H      -2.873680      5.918693      5.945104
  H      -4.146037      5.923489      7.211053
  H      -8.295970      3.076894      3.399125
  H      -8.453768      5.804652     -0.282021
  H      -6.995862      7.623851     -1.190670
  H      -4.928261      8.289392      0.023696
  H      -4.267800      7.146357      2.108937
  H      -2.228502     -1.455423      5.161622
  H      -0.533706     -1.785076      4.772632
  H      -2.482506     -2.491914      3.098981
  H      -0.893404     -1.944989      2.484297
  H      -7.281226      1.825669      1.392016
  H      -4.839792      3.345079     -2.152167
  H      -2.469038      3.098621     -2.916775
  H      -0.872772      1.727525     -1.582612
  H      -1.597120      0.615530      0.495225
  H      -4.892502     -0.242013      5.787471
  H      -4.104520     -1.373844      6.901209
  H      -6.108638     -0.627145      7.918884
  H      -4.766846      0.122668      8.842127
  H      -6.597613      5.897241      7.856431
  H     -10.559774      6.032854      5.593917
  H     -12.058385      4.327665      4.538371
  H     -11.435840      1.917166      4.606597
  H      -9.324211      1.189389      5.661740
  N      -2.441054      2.458003      3.462562
  N      -2.327657      3.181602      2.282312
  H      -1.981583      4.149131      2.426562
  H      -1.724250      2.672583      1.600649
  H      -3.245045      3.260310      1.802407
100
Coordinates from ORCA-job orca E -6707.509883439039
  N      -2.262863      3.353969      6.049322
  Mo     -2.452059      1.613167      5.108343
  N      -3.110211      0.473613      6.625577
  C      -2.137303      0.100734      7.656779
  C      -1.139621      1.209172      7.950031
  N      -0.419630      1.667605      6.747419
  C       0.013656      3.069101      6.829241
  C      -0.955379      3.945119      5.993030
  C       0.595185      0.747647      6.222744
  C       0.315820      0.597825      4.719612
  N      -1.073203      0.242807      4.593975
  H      -0.602686      3.979669      4.948297
  H      -0.954090      4.979259      6.376208
  H       1.040664      3.170027      6.454031
  H       0.010688      3.399248      7.879273
  H       0.973144     -0.165777      4.269601
  H       0.525046      1.554874      4.209296
  H       0.481793     -0.233182      6.706409
  H       1.613404      1.113751      6.432319
  H      -2.641877     -0.136685      8.610051
  H      -1.615135     -0.829028      7.350934
  H      -1.694430      2.072440      8.339219
  H      -0.429554      0.882465      8.733066
  C      -3.230927      3.965907      6.931158
  C      -3.700047      5.336514      6.434847
  O      -4.748894      5.187527      5.445354
  C      -4.443908      5.299327      4.150464
  O      -3.340492      5.568733      3.691408
  C      -5.673081      5.048803      3.307313
  N      -6.474970      4.083278      3.733452
  C      -7.576940      3.824306      2.983606
  N      -7.942078      4.427493      1.868773
  C      -7.126163      5.421746      1.415842
  C      -7.474128      6.101790      0.222749
  C      -6.680645      7.128154     -0.240793
  C      -5.522712      7.523049      0.473036
  C      -5.151660      6.877628      1.633640
  C      -5.933911      5.798865      2.123346
  C      -1.381982     -1.165173      4.472449
  C      -1.738797     -1.637935      3.046158
  O      -2.380387     -0.651315      2.172914
  C      -3.422348      0.020892      2.660814
  O      -3.793594     -0.051808      3.831746
  C      -4.202302      0.792575      1.623532
  N      -5.474299      0.951119      1.971712
  C      -6.282005      1.619340      1.116039
  N      -5.935215      2.202407     -0.016699
  C      -4.630018      2.074820     -0.386940
  C      -4.207556      2.707481     -1.583940
  C      -2.901273      2.596316     -2.006753
  C      -1.969899      1.847438     -1.250267
  C      -2.344197      1.229118     -0.073387
  C      -3.684060      1.325268      0.398595
  C      -4.345724     -0.288187      6.721580
  C      -5.278552      0.111340      7.863804
  O      -5.829908      1.444856      7.715569
  C      -6.881150      1.536982      6.870712
  O      -7.305313      0.600826      6.215149
  C      -7.465277      2.930676      6.850209
  N      -6.746055      3.878917      7.433624
  C      -7.223734      5.144906      7.372997
  N      -8.323047      5.557692      6.775074
  C      -9.089711      4.595196      6.187094
  C     -10.284532      4.990893      5.536617
  C     -11.095544      4.046219      4.947862
  C     -10.745559      2.676051      4.994574
  C      -9.582640      2.258232      5.608828
  C      -8.715109      3.207540      6.212507
  H      -2.817767      4.113989      7.952266
  H      -4.114376      3.320729      7.041160
  H      -2.879092      5.921769      6.000849
  H      -4.161155      5.898113      7.257157
  H      -8.225364      3.028012      3.360136
  H      -8.380493      5.789577     -0.296786
  H      -6.951051      7.654237     -1.157673
  H      -4.923045      8.355512      0.101933
  H      -4.269788      7.201442      2.183462
  H      -2.197902     -1.443108      5.152157
  H      -0.499428     -1.761850      4.770198
  H      -2.415687     -2.504356      3.093215
  H      -0.843147     -1.912533      2.477225
  H      -7.330058      1.699065      1.413897
  H      -4.952493      3.269573     -2.148218
  H      -2.581613      3.079158     -2.931206
  H      -0.941890      1.752676     -1.603268
  H      -1.623063      0.630425      0.482368
  H      -4.894417     -0.216461      5.777091
  H      -4.112882     -1.360843      6.882370
  H      -6.106498     -0.610035      7.912320
  H      -4.762884      0.141341      8.831881
  H      -6.617253      5.906697      7.872173
  H     -10.532360      6.052809      5.529664
  H     -12.016797      4.350862      4.448938
  H     -11.404370      1.938396      4.533886
  H      -9.313937      1.205553      5.627343
  N      -2.465069      2.468991      3.467233
  N      -2.393210      3.199348      2.285704
  H      -2.062709      4.171032      2.440608
  H      -1.780667      2.712408      1.598458
  H      -3.316322      3.273058      1.817126
100
Coordinates from ORCA-job orca E -6707.512053110729
  N      -2.258213      3.355173      6.060050
  Mo     -2.437779      1.618949      5.104444
  N      -3.107584      0.482636      6.616070
  C      -2.140321      0.101539      7.650438
  C      -1.139830      1.204614      7.952591
  N      -0.415520      1.667076      6.754190
  C       0.017113      3.068705      6.843927
  C      -0.950163      3.945680      6.007367
  C       0.603291      0.750925      6.230347
  C       0.336881      0.617966      4.723496
  N      -1.051084      0.262163      4.579888
  H      -0.595258      3.981804      4.963374
  H      -0.949339      4.979862      6.390651
  H       1.045440      3.171560      6.472747
  H       0.010460      3.394174      7.895417
  H       0.999131     -0.138596      4.268854
  H       0.548891      1.581267      4.226850
  H       0.485688     -0.234135      6.704490
  H       1.619952      1.114514      6.451858
  H      -2.649945     -0.139216      8.600063
  H      -1.620788     -0.828417      7.341197
  H      -1.693296      2.067534      8.344147
  H      -0.433329      0.872069      8.736341
  C      -3.221289      3.956317      6.954614
  C      -3.698641      5.327333      6.469572
  O      -4.737572      5.177514      5.469066
  C      -4.423830      5.303150      4.178420
  O      -3.319824      5.588092      3.728722
  C      -5.642524      5.042924      3.323410
  N      -6.430276      4.057758      3.730719
  C      -7.521565      3.788931      2.968305
  N      -7.885339      4.396425      1.855647
  C      -7.083134      5.409936      1.421323
  C      -7.430441      6.095612      0.231239
  C      -6.653629      7.144419     -0.210247
  C      -5.514452      7.556972      0.523463
  C      -5.143417      6.905683      1.680851
  C      -5.906837      5.803053      2.146595
  C      -1.351804     -1.149281      4.462233
  C      -1.694719     -1.627282      3.035468
  O      -2.363981     -0.657855      2.164152
  C      -3.419355     -0.008846      2.656194
  O      -3.781709     -0.081232      3.828474
  C      -4.222411      0.743142      1.621428
  N      -5.495460      0.873003      1.977274
  C      -6.322672      1.525013      1.127471
  N      -5.995741      2.114440     -0.007594
  C      -4.690483      2.015289     -0.385336
  C      -4.290099      2.657599     -1.584936
  C      -2.984082      2.577340     -2.015124
  C      -2.030767      1.852227     -1.262479
  C      -2.384278      1.224542     -0.084291
  C      -3.723333      1.287165      0.394596
  C      -4.348836     -0.270794      6.708529
  C      -5.277225      0.127611      7.854580
  O      -5.831902      1.459839      7.706321
  C      -6.892390      1.546638      6.872411
  O      -7.320561      0.606974      6.224418
  C      -7.472701      2.941759      6.844536
  N      -6.760027      3.886812      7.440998
  C      -7.231445      5.154743      7.373597
  N      -8.316109      5.573026      6.753223
  C      -9.076795      4.614032      6.151701
  C     -10.256611      5.016030      5.478115
  C     -11.063481      4.075179      4.877669
  C     -10.724450      2.702736      4.935941
  C      -9.575583      2.278723      5.572104
  C      -8.711330      3.223993      6.186920
  H      -2.800893      4.101190      7.973472
  H      -4.100649      3.306308      7.066364
  H      -2.879456      5.923434      6.047347
  H      -4.172267      5.876918      7.292941
  H      -8.161415      2.980572      3.332803
  H      -8.323772      5.770676     -0.302908
  H      -6.923913      7.675307     -1.124397
  H      -4.929845      8.407828      0.170520
  H      -4.276871      7.243724      2.246469
  H      -2.169549     -1.430573      5.138010
  H      -0.467128     -1.739697      4.766299
  H      -2.346377     -2.513090      3.080777
  H      -0.791065     -1.875337      2.466866
  H      -7.369723      1.584866      1.433583
  H      -5.051734      3.201976     -2.144266
  H      -2.680718      3.067275     -2.941353
  H      -1.001910      1.783772     -1.619100
  H      -1.644062      0.649080      0.470970
  H      -4.898239     -0.188923      5.765371
  H      -4.122314     -1.345921      6.860924
  H      -6.103741     -0.595031      7.907095
  H      -4.758232      0.159903      8.820757
  H      -6.631183      5.913123      7.885477
  H     -10.497137      6.079563      5.464037
  H     -11.973453      4.384561      4.361246
  H     -11.380744      1.968062      4.466934
  H      -9.315274      1.224235      5.599717
  N      -2.487518      2.479782      3.471295
  N      -2.458282      3.218172      2.290814
  H      -2.144663      4.193980      2.457854
  H      -1.837656      2.754429      1.596384
  H      -3.387279      3.284514      1.833427
100
Coordinates from ORCA-job orca E -6707.514109896084
  N      -2.252125      3.354463      6.066085
  Mo     -2.421045      1.622588      5.096028
  N      -3.108320      0.491706      6.600928
  C      -2.150219      0.100981      7.641208
  C      -1.146017      1.197181      7.955203
  N      -0.413809      1.662850      6.762919
  C       0.019318      3.064291      6.860863
  C      -0.942872      3.943105      6.020575
  C       0.609631      0.749420      6.242875
  C       0.361188      0.634554      4.731800
  N      -1.025323      0.279048      4.565077
  H      -0.582499      3.980110      4.978402
  H      -0.942419      4.977541      6.403520
  H       1.050156      3.167615      6.496708
  H       0.006251      3.385785      7.913529
  H       1.029474     -0.115026      4.274407
  H       0.578182      1.604014      4.250069
  H       0.485006     -0.239894      6.706401
  H       1.624272      1.109005      6.480033
  H      -2.667928     -0.142181      8.585686
  H      -1.633735     -0.829941      7.330193
  H      -1.697614      2.060486      8.348276
  H      -0.445559      0.857325      8.741203
  C      -3.211329      3.944696      6.972225
  C      -3.699968      5.315234      6.499366
  O      -4.731463      5.163336      5.490744
  C      -4.413602      5.300963      4.203797
  O      -3.312340      5.606690      3.759697
  C      -5.624099      5.027870      3.341280
  N      -6.392603      4.020568      3.730916
  C      -7.474012      3.739368      2.958243
  N      -7.841765      4.351531      1.849615
  C      -7.057758      5.386379      1.432545
  C      -7.408987      6.077716      0.246865
  C      -6.651805      7.149127     -0.174623
  C      -5.529283      7.578888      0.574844
  C      -5.153986      6.921860      1.727679
  C      -5.896713      5.796801      2.172376
  C      -1.318259     -1.135644      4.448827
  C      -1.642510     -1.617028      3.020139
  O      -2.336924     -0.664867      2.149493
  C      -3.407182     -0.040534      2.642851
  O      -3.764913     -0.114516      3.815145
  C      -4.228667      0.692750      1.608465
  N      -5.503276      0.795966      1.967391
  C      -6.345265      1.433334      1.120595
  N      -6.033449      2.027516     -0.015970
  C      -4.727448      1.955499     -0.396218
  C      -4.343670      2.606973     -1.596480
  C      -3.036583      2.557748     -2.027716
  C      -2.065415      1.856654     -1.274819
  C      -2.403331      1.219462     -0.097189
  C      -3.743320      1.248799      0.382149
  C      -4.357517     -0.249928      6.686860
  C      -5.281423      0.149672      7.835785
  O      -5.832461      1.483562      7.688301
  C      -6.900550      1.571429      6.864268
  O      -7.342884      0.628875      6.230054
  C      -7.478410      2.967649      6.839770
  N      -6.769816      3.907726      7.448953
  C      -7.237059      5.177331      7.383377
  N      -8.311632      5.602402      6.750123
  C      -9.068415      4.648605      6.135399
  C     -10.237740      5.058064      5.448143
  C     -11.042362      4.122500      4.836460
  C     -10.711647      2.748124      4.897281
  C      -9.572566      2.316888      5.546119
  C      -8.709847      3.256684      6.171478
  H      -2.783760      4.087006      7.988608
  H      -4.085839      3.288745      7.086588
  H      -2.884391      5.923350      6.087401
  H      -4.185861      5.851765      7.324128
  H      -8.101249      2.916487      3.311034
  H      -8.290023      5.739630     -0.299473
  H      -6.925273      7.684572     -1.085184
  H      -4.961250      8.447181      0.237636
  H      -4.299888      7.272102      2.305127
  H      -2.140337     -1.420746      5.117369
  H      -0.433022     -1.720551      4.761955
  H      -2.267845     -2.522021      3.060475
  H      -0.729853     -1.836956      2.454169
  H      -7.391636      1.476594      1.432340
  H      -5.118731      3.133712     -2.154288
  H      -2.745285      3.054817     -2.954062
  H      -1.034866      1.814650     -1.630726
  H      -1.647539      0.666527      0.459914
  H      -4.905694     -0.155681      5.744118
  H      -4.140928     -1.328258      6.830278
  H      -6.109826     -0.570559      7.890528
  H      -4.760173      0.180667      8.800738
  H      -6.641709      5.930680      7.908351
  H     -10.472734      6.122853      5.433552
  H     -11.944460      4.437481      4.309672
  H     -11.366805      2.017549      4.420279
  H      -9.318634      1.260862      5.575958
  N      -2.504338      2.486451      3.469762
  N      -2.515715      3.234022      2.292955
  H      -2.221819      4.214542      2.473290
  H      -1.886343      2.794391      1.591454
  H      -3.449683      3.289595      1.844279
100
Coordinates from ORCA-job orca E -6707.516140901688
  N      -2.248118      3.355098      6.072072
  Mo     -2.407394      1.627330      5.089343
  N      -3.110145      0.501266      6.587665
  C      -2.159988      0.100512      7.632454
  C      -1.152098      1.190041      7.958542
  N      -0.413566      1.659814      6.771939
  C       0.019821      3.061265      6.877330
  C      -0.937590      3.941769      6.033068
  C       0.614215      0.749538      6.254287
  C       0.382880      0.654109      4.739575
  N      -1.001860      0.298162      4.550186
  H      -0.571821      3.978967      4.992710
  H      -0.937284      4.976775      6.414947
  H       1.052945      3.164958      6.519704
  H       0.000712      3.379292      7.930960
  H       1.057512     -0.087555      4.278562
  H       0.603694      1.629996      4.273313
  H       0.482865     -0.244328      6.706164
  H       1.626773      1.104760      6.506847
  H      -2.684598     -0.146126      8.572031
  H      -1.646267     -0.830735      7.318393
  H      -1.701328      2.053166      8.355016
  H      -0.456795      0.841962      8.745478
  C      -3.203719      3.933543      6.989264
  C      -3.702234      5.304367      6.530335
  O      -4.726690      5.150138      5.514026
  C      -4.404422      5.298517      4.230972
  O      -3.304128      5.618093      3.792967
  C      -5.604982      5.008925      3.359649
  N      -6.350887      3.978075      3.731778
  C      -7.419255      3.679377      2.946940
  N      -7.791600      4.293492      1.841085
  C      -7.030205      5.352208      1.441919
  C      -7.387003      6.047016      0.259963
  C      -6.654028      7.142893     -0.141304
  C      -5.551244      7.594053      0.624776
  C      -5.170185      6.933782      1.773941
  C      -5.887494      5.784423      2.197559
  C      -1.285930     -1.119871      4.433673
  C      -1.592038     -1.603188      3.003044
  O      -2.313208     -0.669153      2.134198
  C      -3.398442     -0.071924      2.629728
  O      -3.751401     -0.149803      3.801867
  C      -4.238345      0.643356      1.596558
  N      -5.514409      0.717644      1.957596
  C      -6.371260      1.339631      1.113764
  N      -6.074714      1.939938     -0.023416
  C      -4.767954      1.898359     -0.404941
  C      -4.400867      2.560377     -1.604804
  C      -3.092902      2.545196     -2.035464
  C      -2.104069      1.869251     -1.282340
  C      -2.426107      1.220613     -0.106511
  C      -3.766825      1.214186      0.371734
  C      -4.366625     -0.229613      6.666290
  C      -5.285759      0.165869      7.820262
  O      -5.835520      1.500986      7.679909
  C      -6.912529      1.591290      6.867830
  O      -7.360011      0.650617      6.234389
  C      -7.482923      2.990655      6.843526
  N      -6.780176      3.922432      7.472177
  C      -7.238310      5.195355      7.406553
  N      -8.295591      5.631962      6.752304
  C      -9.046847      4.686921      6.117538
  C     -10.198491      5.108957      5.408383
  C     -10.999483      4.182438      4.778466
  C     -10.682928      2.804913      4.842816
  C      -9.560648      2.361480      5.512320
  C      -8.700751      3.291782      6.155651
  H      -2.769378      4.071556      8.003416
  H      -4.073917      3.272303      7.105467
  H      -2.890416      5.924814      6.129252
  H      -4.199975      5.826943      7.356770
  H      -8.029901      2.839142      3.286611
  H      -8.253293      5.692484     -0.299415
  H      -6.932045      7.681179     -1.048815
  H      -5.003421      8.481094      0.303325
  H      -4.331144      7.299633      2.363824
  H      -2.111585     -1.410575      5.095104
  H      -0.399611     -1.698880      4.754730
  H      -2.189070     -2.527489      3.037779
  H      -0.671587     -1.792757      2.438512
  H      -7.417233      1.362804      1.429779
  H      -5.189068      3.068301     -2.161653
  H      -2.813803      3.050808     -2.960971
  H      -1.072305      1.856034     -1.636999
  H      -1.655299      0.690070      0.451576
  H      -4.914027     -0.120918      5.724414
  H      -4.158764     -1.311193      6.797059
  H      -6.114907     -0.553325      7.875667
  H      -4.761192      0.192577      8.783476
  H      -6.649457      5.941050      7.949570
  H     -10.423811      6.175835      5.392823
  H     -11.888251      4.506933      4.235040
  H     -11.335899      2.081436      4.352148
  H      -9.317592      1.302990      5.545242
  N      -2.529015      2.491311      3.469295
  N      -2.584106      3.250633      2.300060
  H      -2.313540      4.236301      2.493782
  H      -1.947966      2.837934      1.589022
  H      -3.523617      3.290589      1.861367
100
Coordinates from ORCA-job orca E -6707.518242760381
  N      -2.242822      3.354867      6.075802
  Mo     -2.392261      1.630456      5.082665
  N      -3.112632      0.509378      6.573092
  C      -2.172047      0.098706      7.623902
  C      -1.160421      1.181577      7.963962
  N      -0.413711      1.655376      6.784161
  C       0.020046      3.056814      6.896379
  C      -0.930460      3.938832      6.045406
  C       0.618977      0.748004      6.270155
  C       0.407193      0.672519      4.751861
  N      -0.975232      0.315839      4.537414
  H      -0.557110      3.974972      5.007698
  H      -0.930565      4.974778      6.425220
  H       1.056058      3.160112      6.547012
  H      -0.006946      3.372534      7.950516
  H       1.089187     -0.060826      4.288321
  H       0.631982      1.654729      4.301489
  H       0.479880     -0.250430      6.709449
  H       1.628954      1.098302      6.539840
  H      -2.704940     -0.151292      8.557735
  H      -1.660528     -0.832776      7.307601
  H      -1.707395      2.044513      8.363712
  H      -0.471704      0.824511      8.752612
  C      -3.196049      3.922720      7.001711
  C      -3.704562      5.292904      6.554430
  O      -4.722608      5.133340      5.531516
  C      -4.397217      5.287146      4.251596
  O      -3.299945      5.623649      3.817255
  C      -5.589674      4.981134      3.374489
  N      -6.310628      3.927375      3.731879
  C      -7.367427      3.610201      2.938124
  N      -7.749307      4.226507      1.836896
  C      -7.013544      5.309116      1.453279
  C      -7.381434      6.007545      0.276946
  C      -6.675671      7.127411     -0.106649
  C      -5.590220      7.599465      0.671585
  C      -5.198141      6.936053      1.815292
  C      -5.886944      5.762832      2.220382
  C      -1.249543     -1.105518      4.417981
  C      -1.535880     -1.589325      2.984808
  O      -2.282932     -0.674348      2.116815
  C      -3.384099     -0.106030      2.612468
  O      -3.735126     -0.190450      3.783354
  C      -4.239900      0.592614      1.579346
  N      -5.517653      0.637176      1.939205
  C      -6.387274      1.244146      1.096923
  N      -6.103831      1.851523     -0.039572
  C      -4.796001      1.842168     -0.418813
  C      -4.442769      2.516557     -1.616060
  C      -3.133453      2.537570     -2.041808
  C      -2.129345      1.886804     -1.286619
  C      -2.437986      1.224626     -0.114700
  C      -3.780001      1.180913      0.358170
  C      -4.376935     -0.210002      6.640196
  C      -5.295414      0.181809      7.795807
  O      -5.840184      1.519807      7.662892
  C      -6.922465      1.618512      6.858725
  O      -7.381575      0.681240      6.228534
  C      -7.486252      3.020806      6.844887
  N      -6.787610      3.940556      7.495707
  C      -7.236951      5.217006      7.439126
  N      -8.278990      5.668875      6.770777
  C      -9.026356      4.736374      6.113229
  C     -10.162232      5.174994      5.388839
  C     -10.960902      4.261270      4.737682
  C     -10.658024      2.880430      4.795823
  C      -9.550772      2.421044      5.479295
  C      -8.692393      3.337969      6.143642
  H      -2.755976      4.057502      8.013920
  H      -4.062046      3.256462      7.120001
  H      -2.897275      5.925283      6.162897
  H      -4.214211      5.802528      7.381491
  H      -7.959116      2.752529      3.266631
  H      -8.234590      5.636888     -0.292123
  H      -6.962496      7.668598     -1.009692
  H      -5.064945      8.504831      0.363930
  H      -4.372518      7.317424      2.414334
  H      -2.079212     -1.403524      5.070913
  H      -0.362270     -1.678414      4.747358
  H      -2.103524     -2.532336      3.012544
  H      -0.608052     -1.747467      2.422460
  H      -7.432833      1.247640      1.415561
  H      -5.242165      3.005535     -2.173922
  H      -2.864491      3.053374     -2.964716
  H      -1.096270      1.904033     -1.637326
  H      -1.654234      0.715314      0.444906
  H      -4.919434     -0.086039      5.697087
  H      -4.179409     -1.294898      6.758345
  H      -6.126887     -0.534760      7.847816
  H      -4.771070      0.201742      8.759266
  H      -6.653085      5.951935      8.002034
  H     -10.378161      6.243899      5.379611
  H     -11.837767      4.598322      4.182672
  H     -11.309782      2.166978      4.289083
  H      -9.318239      1.360051      5.507848
  N      -2.553733      2.489214      3.466826
  N      -2.652384      3.262888      2.309487
  H      -2.408340      4.254041      2.516851
  H      -2.011188      2.879233      1.587154
  H      -3.597346      3.282396      1.880172
100
Coordinates from ORCA-job orca E -6707.520492335296
  N      -2.237913      3.354919      6.078946
  Mo     -2.378160      1.633457      5.077990
  N      -3.116785      0.515973      6.558596
  C      -2.186081      0.095696      7.615850
  C      -1.170684      1.172566      7.971815
  N      -0.414644      1.651142      6.799834
  C       0.019042      3.052721      6.918120
  C      -0.923351      3.936266      6.058860
  C       0.623241      0.746792      6.289334
  C       0.431805      0.691718      4.767735
  N      -0.947889      0.333505      4.527291
  H      -0.541045      3.971016      5.024461
  H      -0.924436      4.973213      6.436416
  H       1.058155      3.155491      6.577919
  H      -0.016954      3.366951      7.972403
  H       1.121887     -0.032748      4.302149
  H       0.659900      1.680148      4.333276
  H       0.476194     -0.256347      6.714920
  H       1.630248      1.091893      6.576803
  H      -2.727705     -0.158286      8.543428
  H      -1.675768     -0.835411      7.297285
  H      -1.715637      2.034865      8.375541
  H      -0.489617      0.805483      8.762443
  C      -3.190159      3.911842      7.012303
  C      -3.709291      5.281830      6.578528
  O      -4.722043      5.115361      5.550262
  C      -4.395042      5.277423      4.273618
  O      -3.302843      5.636738      3.843255
  C      -5.576117      4.945533      3.390177
  N      -6.263664      3.865091      3.734461
  C      -7.306261      3.521059      2.932702
  N      -7.703640      4.135900      1.836262
  C      -7.002409      5.246300      1.466632
  C      -7.387977      5.944285      0.295849
  C      -6.717753      7.090703     -0.072632
  C      -5.651480      7.590217      0.715032
  C      -5.242220      6.928065      1.853472
  C      -5.894337      5.728950      2.243117
  C      -1.211289     -1.091045      4.401304
  C      -1.478221     -1.573453      2.965077
  O      -2.251199     -0.678581      2.097381
  C      -3.369100     -0.141756      2.591695
  O      -3.720255     -0.236633      3.760280
  C      -4.239764      0.542540      1.558537
  N      -5.519118      0.554881      1.914778
  C      -6.400784      1.146991      1.073789
  N      -6.129839      1.764111     -0.060246
  C      -4.821028      1.790454     -0.434549
  C      -4.480125      2.480573     -1.626428
  C      -3.169475      2.540996     -2.043650
  C      -2.151724      1.914647     -1.286155
  C      -2.448052      1.235258     -0.120826
  C      -3.791287      1.152411      0.343386
  C      -4.388604     -0.192233      6.609821
  C      -5.309361      0.193163      7.765597
  O      -5.846964      1.535225      7.644232
  C      -6.931259      1.648903      6.844698
  O      -7.398872      0.720863      6.207162
  C      -7.484418      3.055717      6.846749
  N      -6.791038      3.957280      7.528320
  C      -7.228663      5.238293      7.487565
  N      -8.251472      5.712249      6.804670
  C      -8.993603      4.798688      6.115414
  C     -10.109588      5.261075      5.374982
  C     -10.904429      4.366429      4.693411
  C     -10.617946      2.981578      4.736592
  C      -9.529849      2.499458      5.434720
  C      -8.674574      3.396435      6.129628
  H      -2.745177      4.041475      8.023111
  H      -4.052212      3.240717      7.131562
  H      -2.908173      5.927778      6.196675
  H      -4.230469      5.776737      7.407090
  H      -7.871158      2.641847      3.250363
  H      -8.226024      5.552056     -0.281163
  H      -7.018381      7.631483     -0.971422
  H      -5.154974      8.515392      0.418839
  H      -4.431204      7.329763      2.459301
  H      -2.044428     -1.398903      5.045186
  H      -0.322546     -1.657486      4.737820
  H      -2.015668     -2.534298      2.985050
  H      -0.544250     -1.699395      2.404563
  H      -7.445945      1.127876      1.393078
  H      -5.289203      2.950834     -2.186433
  H      -2.909690      3.069898     -2.961778
  H      -1.117791      1.964654     -1.631205
  H      -1.652744      0.744973      0.439234
  H      -4.923036     -0.051153      5.664104
  H      -4.201939     -1.280453      6.713203
  H      -6.143940     -0.520089      7.809684
  H      -4.787508      0.202196      8.730592
  H      -6.651459      5.957211      8.077555
  H     -10.314234      6.332237      5.378803
  H     -11.766202      4.721497      4.126124
  H     -11.267271      2.283132      4.206354
  H      -9.309854      1.435489      5.452442
  N      -2.584812      2.478097      3.463142
  N      -2.727013      3.270649      2.324152
  H      -2.512706      4.267734      2.544579
  H      -2.084941      2.918358      1.586938
  H      -3.677480      3.264069      1.904878
100
Coordinates from ORCA-job orca E -6707.522886523377
  N      -2.229193      3.353611      6.078665
  Mo     -2.360734      1.635572      5.071551
  N      -3.126521      0.520296      6.536540
  C      -2.210479      0.089196      7.604016
  C      -1.191004      1.158999      7.982038
  N      -0.418112      1.642323      6.822713
  C       0.016819      3.043252      6.948403
  C      -0.910899      3.930521      6.075990
  C       0.625381      0.739119      6.319424
  C       0.460377      0.704006      4.794083
  N      -0.915940      0.346261      4.522166
  H      -0.514442      3.963483      5.047151
  H      -0.913570      4.968097      6.452083
  H       1.060695      3.143803      6.622529
  H      -0.033019      3.356591      8.002342
  H       1.159411     -0.012945      4.330210
  H       0.694707      1.697777      4.375642
  H       0.466931     -0.268416      6.729868
  H       1.628524      1.077067      6.628651
  H      -2.765161     -0.168305      8.522828
  H      -1.700625     -0.841758      7.285211
  H      -1.734814      2.020941      8.388056
  H      -0.522980      0.779546      8.777847
  C      -3.182808      3.904578      7.014798
  C      -3.713312      5.272656      6.589333
  O      -4.725974      5.093927      5.562045
  C      -4.404725      5.254337      4.285490
  O      -3.320696      5.632953      3.849550
  C      -5.579334      4.888729      3.406833
  N      -6.226371      3.783440      3.751385
  C      -7.258454      3.403493      2.952633
  N      -7.683549      4.007829      1.860778
  C      -7.024459      5.144112      1.491414
  C      -7.440341      5.831408      0.324896
  C      -6.811951      7.001086     -0.043659
  C      -5.758455      7.534734      0.738977
  C      -5.320059      6.884166      1.873194
  C      -5.929492      5.663010      2.263390
  C      -1.170137     -1.080248      4.383606
  C      -1.413970     -1.557634      2.942173
  O      -2.205355     -0.680440      2.070816
  C      -3.341199     -0.174067      2.556826
  O      -3.700750     -0.283671      3.720080
  C      -4.218358      0.502806      1.520380
  N      -5.500547      0.483423      1.864694
  C      -6.388505      1.063396      1.021453
  N      -6.122957      1.694097     -0.106161
  C      -4.811771      1.756641     -0.466886
  C      -4.474748      2.466480     -1.648130
  C      -3.161036      2.566326     -2.047294
  C      -2.136286      1.959490     -1.283662
  C      -2.428007      1.258683     -0.129834
  C      -3.774369      1.138437      0.316594
  C      -4.407039     -0.174152      6.562808
  C      -5.334870      0.203483      7.715409
  O      -5.859308      1.552353      7.611910
  C      -6.943074      1.693508      6.816045
  O      -7.423297      0.783396      6.162384
  C      -7.480331      3.106558      6.850379
  N      -6.785916      3.979852      7.567280
  C      -7.207793      5.266499      7.558347
  N      -8.213725      5.773100      6.873347
  C      -8.957018      4.888917      6.148214
  C     -10.056344      5.386127      5.405243
  C     -10.853816      4.520718      4.689918
  C     -10.587264      3.131285      4.701052
  C      -9.515550      2.616103      5.400432
  C      -8.656862      3.482488      6.128925
  H      -2.733697      4.031689      8.024102
  H      -4.041651      3.229851      7.136427
  H      -2.920494      5.930399      6.210717
  H      -4.242123      5.756517      7.419354
  H      -7.788412      2.502421      3.268760
  H      -8.267265      5.412132     -0.249080
  H      -7.135942      7.533418     -0.939353
  H      -5.295086      8.476693      0.442153
  H      -4.518448      7.311093      2.474495
  H      -2.009568     -1.398901      5.014209
  H      -0.282114     -1.642399      4.728975
  H      -1.924714     -2.533134      2.951063
  H      -0.473010     -1.654289      2.387451
  H      -7.434693      1.020570      1.334223
  H      -5.288091      2.921399     -2.214601
  H      -2.904368      3.111705     -2.956608
  H      -1.100519      2.041793     -1.616872
  H      -1.626224      0.781745      0.432382
  H      -4.926926     -0.012045      5.611938
  H      -4.234896     -1.266078      6.649228
  H      -6.175147     -0.503592      7.744317
  H      -4.819576      0.194444      8.684035
  H      -6.632359      5.960879      8.178792
  H     -10.246872      6.459473      5.435121
  H     -11.702972      4.902226      4.120785
  H     -11.239094      2.455920      4.144675
  H      -9.310743      1.548875      5.394436
  N      -2.608277      2.456498      3.453055
  N      -2.782137      3.274878      2.339779
  H      -2.598232      4.277673      2.572507
  H      -2.141707      2.953561      1.587329
  H      -3.735583      3.240349      1.925604
100
Coordinates from ORCA-job orca E -6707.525360534571
  N      -2.216938      3.352881      6.079103
  Mo     -2.343940      1.641285      5.064278
  N      -3.141755      0.526508      6.508472
  C      -2.243919      0.079791      7.586143
  C      -1.219827      1.138334      7.990025
  N      -0.425784      1.626994      6.847045
  C       0.013512      3.025701      6.984354
  C      -0.893622      3.921847      6.098133
  C       0.620985      0.722700      6.351305
  C       0.484773      0.710437      4.822731
  N      -0.887905      0.358412      4.516847
  H      -0.480847      3.954386      5.076104
  H      -0.896183      4.958877      6.475711
  H       1.063085      3.122043      6.676130
  H      -0.052392      3.335937      8.038314
  H       1.191245     -0.000566      4.361066
  H       0.728752      1.709310      4.422653
  H       0.446978     -0.289301      6.743675
  H       1.620423      1.049037      6.684532
  H      -2.813996     -0.181501      8.494445
  H      -1.736150     -0.851494      7.265988
  H      -1.761834      2.000172      8.398693
  H      -0.568057      0.742870      8.791380
  C      -3.169776      3.900046      7.019883
  C      -3.711211      5.267167      6.605746
  O      -4.727821      5.074215      5.584396
  C      -4.419723      5.232657      4.305767
  O      -3.350011      5.638650      3.857922
  C      -5.586127      4.814150      3.440395
  N      -6.176491      3.681487      3.797983
  C      -7.196499      3.247328      3.012434
  N      -7.662808      3.825657      1.923318
  C      -7.062252      4.989790      1.540566
  C      -7.522920      5.649827      0.375309
  C      -6.952015      6.843782     -0.008266
  C      -5.912869      7.428841      0.756844
  C      -5.431720      6.806603      1.889502
  C      -5.982694      5.563282      2.296095
  C      -1.137975     -1.068219      4.361851
  C      -1.356897     -1.536895      2.913784
  O      -2.159821     -0.673130      2.038166
  C      -3.312528     -0.195522      2.514018
  O      -3.684735     -0.322319      3.670102
  C      -4.189974      0.478957      1.473733
  N      -5.475340      0.427913      1.800714
  C      -6.365756      0.998186      0.953629
  N      -6.100759      1.646293     -0.164192
  C      -4.786725      1.744547     -0.505796
  C      -4.449289      2.476905     -1.672960
  C      -3.132334      2.615199     -2.049330
  C      -2.104584      2.023728     -1.277898
  C      -2.395894      1.299231     -0.138791
  C      -3.745531      1.142463      0.285230
  C      -4.432317     -0.149494      6.504974
  C      -5.368808      0.219143      7.652955
  O      -5.871871      1.577487      7.571582
  C      -6.950176      1.754474      6.775833
  O      -7.442118      0.868425      6.098493
  C      -7.467292      3.174304      6.847565
  N      -6.772438      4.013792      7.603730
  C      -7.175405      5.305943      7.630178
  N      -8.160859      5.850117      6.943620
  C      -8.904788      5.000869      6.178755
  C      -9.983945      5.537825      5.433621
  C     -10.783412      4.706925      4.680630
  C     -10.539773      3.313450      4.655032
  C      -9.487785      2.760668      5.355200
  C      -8.626536      3.590987      6.121333
  H      -2.713471      4.021748      8.026466
  H      -4.026793      3.223693      7.144196
  H      -2.928402      5.936458      6.227095
  H      -4.243139      5.739935      7.440086
  H      -7.676522      2.321731      3.337492
  H      -8.336664      5.189812     -0.186063
  H      -7.310302      7.354727     -0.903332
  H      -5.494539      8.387608      0.447368
  H      -4.640270      7.271362      2.476461
  H      -1.986176     -1.395605      4.976378
  H      -0.253704     -1.630305      4.716620
  H      -1.844857     -2.524014      2.909341
  H      -0.408213     -1.607223      2.368349
  H      -7.414129      0.929056      1.253360
  H      -5.263893      2.919297     -2.247491
  H      -2.875798      3.179149     -2.947256
  H      -1.066705      2.136883     -1.595163
  H      -1.590880      0.832354      0.427374
  H      -4.934731      0.039168      5.549400
  H      -4.278498     -1.245371      6.570682
  H      -6.218239     -0.477385      7.659751
  H      -4.864012      0.184446      8.626674
  H      -6.602091      5.971211      8.283679
  H     -10.158319      6.612681      5.493066
  H     -11.617309      5.118706      4.110043
  H     -11.193639      2.665526      4.069286
  H      -9.300360      1.690624      5.322384
  N      -2.629093      2.437073      3.442938
  N      -2.827658      3.284593      2.359111
  H      -2.673363      4.291151      2.605782
  H      -2.188451      2.994390      1.593421
  H      -3.781554      3.225340      1.946537
100
Coordinates from ORCA-job orca E -6707.527668541738
  N      -2.197671      3.351275      6.081207
  Mo     -2.327205      1.651930      5.056093
  N      -3.164296      0.536030      6.472616
  C      -2.289557      0.067084      7.560075
  C      -1.259448      1.107175      7.993766
  N      -0.437881      1.601367      6.872490
  C       0.010485      2.995320      7.027175
  C      -0.867917      3.908138      6.127558
  C       0.608004      0.692203      6.384459
  C       0.503240      0.705743      4.853222
  N      -0.865788      0.367650      4.510765
  H      -0.436871      3.942748      5.113802
  H      -0.868273      4.942570      6.511447
  H       1.066661      3.084726      6.740422
  H      -0.073860      3.298977      8.081766
  H       1.214317     -0.002342      4.394496
  H       0.762151      1.708981      4.474442
  H       0.412260     -0.324004      6.754694
  H       1.604140      1.000219      6.744185
  H      -2.878220     -0.197132      8.455864
  H      -1.787116     -0.865812      7.237316
  H      -1.798145      1.969644      8.405596
  H      -0.628609      0.690084      8.800700
  C      -3.146965      3.899637      7.028554
  C      -3.699680      5.266162      6.627674
  O      -4.726070      5.050695      5.620909
  C      -4.443060      5.198934      4.335541
  O      -3.394855      5.632934      3.862723
  C      -5.602072      4.705923      3.501576
  N      -6.117356      3.548777      3.895219
  C      -7.126163      3.038392      3.144093
  N      -7.652281      3.566778      2.056853
  C      -7.129438      4.755083      1.636515
  C      -7.655279      5.362170      0.470162
  C      -7.160904      6.576295      0.045896
  C      -6.135321      7.233837      0.769589
  C      -5.592074      6.665585      1.902201
  C      -6.064917      5.405130      2.351779
  C      -1.120616     -1.055604      4.333342
  C      -1.314135     -1.509442      2.876104
  O      -2.117692     -0.650572      1.996262
  C      -3.284800     -0.196400      2.460007
  O      -3.675799     -0.344100      3.606477
  C      -4.152433      0.486226      1.416706
  N      -5.441183      0.407777      1.720477
  C      -6.328352      0.974560      0.869213
  N      -6.056860      1.644853     -0.234218
  C      -4.739073      1.774410     -0.550386
  C      -4.394468      2.532850     -1.698434
  C      -3.073440      2.705239     -2.046631
  C      -2.048680      2.120381     -1.266224
  C      -2.346724      1.369469     -0.146756
  C      -3.699796      1.180171      0.249701
  C      -4.466431     -0.114345      6.433494
  C      -5.413609      0.247039      7.573765
  O      -5.884664      1.617560      7.516810
  C      -6.950602      1.840234      6.716860
  O      -7.454736      0.985100      6.009845
  C      -7.440290      3.268262      6.828763
  N      -6.746528      4.067845      7.628107
  C      -7.125970      5.365323      7.691900
  N      -8.085226      5.952502      7.002902
  C      -8.828176      5.144441      6.194199
  C      -9.881596      5.726364      5.445607
  C     -10.681236      4.935699      4.650605
  C     -10.464474      3.538996      4.584653
  C      -9.437577      2.943976      5.287024
  C      -8.576037      3.732145      6.095341
  H      -2.678690      4.012592      8.030271
  H      -4.004490      3.225176      7.156639
  H      -2.930755      5.947183      6.242708
  H      -4.228150      5.728864      7.470087
  H      -7.537914      2.089972      3.497307
  H      -8.455541      4.844932     -0.059651
  H      -7.569016      7.045928     -0.850404
  H      -5.776652      8.205537      0.427500
  H      -4.809820      7.183888      2.456603
  H      -1.981053     -1.387700      4.928546
  H      -0.244726     -1.624989      4.696736
  H      -1.787351     -2.503381      2.855082
  H      -0.356381     -1.559560      2.344808
  H      -7.380067      0.879730      1.147976
  H      -5.205850      2.969041     -2.282164
  H      -2.812339      3.290397     -2.929449
  H      -1.007705      2.259575     -1.562273
  H      -1.543810      0.905433      0.425432
  H      -4.946619      0.107094      5.473850
  H      -4.337327     -1.214172      6.475706
  H      -6.275889     -0.433379      7.551402
  H      -4.924554      0.180040      8.554095
  H      -6.556460      5.996326      8.381586
  H     -10.037129      6.801829      5.537137
  H     -11.495549      5.381834      4.077610
  H     -11.118928      2.923461      3.965808
  H      -9.270054      1.871794      5.225191
  N      -2.643707      2.422807      3.433732
  N      -2.851960      3.306754      2.385627
  H      -2.723518      4.314348      2.648229
  H      -2.213236      3.047094      1.610027
  H      -3.803295      3.230897      1.970103
100
Coordinates from ORCA-job orca E -6707.529929294077
  N      -2.193372      3.355896      6.074317
  Mo     -2.314560      1.655498      5.052262
  N      -3.167407      0.543785      6.459021
  C      -2.303571      0.067786      7.551880
  C      -1.274452      1.102216      7.999640
  N      -0.443382      1.598879      6.887539
  C       0.004421      2.992427      7.046816
  C      -0.860265      3.905838      6.134342
  C       0.606175      0.690657      6.405618
  C       0.522356      0.721355      4.873889
  N      -0.841394      0.384437      4.506322
  H      -0.417110      3.934847      5.125774
  H      -0.860848      4.942128      6.513489
  H       1.064124      3.079527      6.772534
  H      -0.091776      3.297583      8.099948
  H       1.241141      0.020429      4.416116
  H       0.784494      1.728987      4.509783
  H       0.401059     -0.328464      6.762490
  H       1.598475      0.991104      6.782332
  H      -2.900862     -0.199570      8.440909
  H      -1.800735     -0.864300      7.227902
  H      -1.813025      1.963795      8.413354
  H      -0.651902      0.676916      8.808676
  C      -3.142503      3.900736      7.024764
  C      -3.704705      5.265169      6.628306
  O      -4.733523      5.048564      5.623246
  C      -4.451254      5.199869      4.339470
  O      -3.405810      5.644393      3.869007
  C      -5.603000      4.696367      3.501333
  N      -6.101870      3.528699      3.885360
  C      -7.103988      3.010727      3.130062
  N      -7.638268      3.542712      2.048277
  C      -7.131211      4.740983      1.637584
  C      -7.665717      5.352192      0.477358
  C      -7.186640      6.576354      0.064040
  C      -6.168444      7.240024      0.792701
  C      -5.617657      6.668257      1.919863
  C      -6.075217      5.398556      2.357977
  C      -1.088397     -1.040599      4.321107
  C      -1.261782     -1.492942      2.861865
  O      -2.085542     -0.655344      1.980323
  C      -3.267062     -0.234425      2.441599
  O      -3.660424     -0.395317      3.583552
  C      -4.144561      0.435543      1.397426
  N      -5.432622      0.331431      1.696175
  C      -6.327565      0.888620      0.846653
  N      -6.065248      1.565742     -0.254893
  C      -4.749103      1.721810     -0.565723
  C      -4.414684      2.493660     -1.707856
  C      -3.095784      2.700080     -2.045228
  C      -2.062625      2.136926     -1.259799
  C      -2.350170      1.371875     -0.147118
  C      -3.701377      1.147528      0.237846
  C      -4.471645     -0.102149      6.407809
  C      -5.419718      0.248316      7.550738
  O      -5.890985      1.618799      7.508812
  C      -6.961529      1.849020      6.717966
  O      -7.472316      0.999961      6.008284
  C      -7.443671      3.278356      6.842689
  N      -6.753959      4.061373      7.661453
  C      -7.120969      5.361547      7.735515
  N      -8.062579      5.967097      7.037918
  C      -8.802150      5.176099      6.209256
  C      -9.836926      5.777929      5.450410
  C     -10.632531      5.004767      4.634349
  C     -10.430255      3.606523      4.556309
  C      -9.421010      2.992452      5.267663
  C      -8.564165      3.762062      6.098620
  H      -2.669147      4.015295      8.023717
  H      -3.995731      3.221830      7.157483
  H      -2.941564      5.953245      6.244266
  H      -4.236122      5.720853      7.473086
  H      -7.509187      2.059097      3.481780
  H      -8.459717      4.829888     -0.056937
  H      -7.601116      7.048991     -0.827753
  H      -5.821708      8.218900      0.458836
  H      -4.840721      7.190199      2.478355
  H      -1.952918     -1.380337      4.905776
  H      -0.213118     -1.605900      4.692358
  H      -1.705711     -2.500279      2.835306
  H      -0.299775     -1.513713      2.336129
  H      -7.377298      0.784472      1.129255
  H      -5.231925      2.914247     -2.294879
  H      -2.842712      3.296663     -2.922741
  H      -1.023325      2.304203     -1.547148
  H      -1.540317      0.924534      0.428518
  H      -4.946926      0.131532      5.448477
  H      -4.345894     -1.202719      6.436278
  H      -6.282238     -0.431431      7.521650
  H      -4.930290      0.171400      8.530128
  H      -6.552954      5.978678      8.439152
  H      -9.982114      6.854007      5.551357
  H     -11.432798      5.466095      4.053602
  H     -11.081797      3.005202      3.920700
  H      -9.266218      1.919019      5.199103
  N      -2.672716      2.399097      3.428260
  N      -2.919858      3.294742      2.398369
  H      -2.820326      4.304282      2.671566
  H      -2.283333      3.061972      1.611923
  H      -3.872617      3.193049      1.990825
100
Coordinates from ORCA-job orca E -6707.532135373322
  N      -2.187282      3.364920      6.050119
  Mo     -2.303828      1.665228      5.043634
  N      -3.176660      0.553560      6.435541
  C      -2.328483      0.071168      7.533189
  C      -1.309960      1.095995      7.993395
  N      -0.463170      1.595588      6.898214
  C      -0.015681      2.986195      7.065556
  C      -0.851221      3.904576      6.134731
  C       0.585872      0.684680      6.428506
  C       0.528206      0.728102      4.897523
  N      -0.827150      0.399966      4.501880
  H      -0.389900      3.927514      5.134733
  H      -0.853100      4.941199      6.511707
  H       1.049699      3.069950      6.812571
  H      -0.131205      3.292115      8.116588
  H       1.252750      0.029035      4.446308
  H       0.799448      1.738430      4.548907
  H       0.362911     -0.336192      6.770139
  H       1.574109      0.970832      6.826550
  H      -2.937714     -0.197862      8.413809
  H      -1.824676     -0.860912      7.210218
  H      -1.852544      1.955905      8.405579
  H      -0.698425      0.661374      8.805918
  C      -3.134836      3.921324      7.002290
  C      -3.714118      5.279060      6.600637
  O      -4.760051      5.059589      5.616109
  C      -4.480655      5.200108      4.328215
  O      -3.431044      5.635822      3.858036
  C      -5.627075      4.688652      3.491633
  N      -6.120276      3.521133      3.879603
  C      -7.116296      2.994505      3.125571
  N      -7.647063      3.518222      2.036724
  C      -7.144294      4.714567      1.621692
  C      -7.675916      5.318665      0.455882
  C      -7.198562      6.542898      0.038092
  C      -6.185037      7.212573      0.768080
  C      -5.639142      6.648012      1.900759
  C      -6.095919      5.381049      2.343602
  C      -1.079439     -1.020310      4.303177
  C      -1.230273     -1.469839      2.840026
  O      -2.057361     -0.646800      1.955954
  C      -3.251536     -0.254139      2.413689
  O      -3.656957     -0.435587      3.548651
  C      -4.121614      0.411111      1.367004
  N      -5.411320      0.293211      1.653860
  C      -6.304472      0.849007      0.804453
  N      -6.037106      1.529586     -0.294975
  C      -4.719020      1.695982     -0.594071
  C      -4.382554      2.474454     -1.731288
  C      -3.062409      2.702103     -2.054996
  C      -2.029879      2.153702     -1.256702
  C      -2.322379      1.384276     -0.149743
  C      -3.672250      1.133184      0.219886
  C      -4.476887     -0.099051      6.384445
  C      -5.414104      0.245959      7.538638
  O      -5.895780      1.612047      7.517406
  C      -6.982085      1.844073      6.751655
  O      -7.510770      0.997928      6.051383
  C      -7.451568      3.276816      6.889787
  N      -6.752436      4.044388      7.713625
  C      -7.101066      5.348132      7.798338
  N      -8.034704      5.971768      7.106565
  C      -8.784940      5.197349      6.271731
  C      -9.810256      5.819209      5.516177
  C     -10.612949      5.063318      4.690666
  C     -10.428075      3.663432      4.598539
  C      -9.427985      3.030389      5.306730
  C      -8.565688      3.781127      6.148469
  H      -2.648885      4.047360      7.992450
  H      -3.981398      3.237014      7.147760
  H      -2.963942      5.970840      6.198798
  H      -4.231393      5.735314      7.455611
  H      -7.525228      2.049578      3.493629
  H      -8.465195      4.789933     -0.079022
  H      -7.609899      7.009840     -0.858077
  H      -5.838326      8.190174      0.430351
  H      -4.865135      7.171148      2.462803
  H      -1.952509     -1.357831      4.875278
  H      -0.211318     -1.591963      4.681501
  H      -1.655329     -2.485145      2.811328
  H      -0.259374     -1.471529      2.330922
  H      -7.356402      0.744148      1.078556
  H      -5.200039      2.884368     -2.325466
  H      -2.808959      3.304230     -2.928506
  H      -0.988188      2.334266     -1.526712
  H      -1.517978      0.946554      0.441838
  H      -4.957513      0.136820      5.429614
  H      -4.349509     -1.199145      6.409335
  H      -6.274953     -0.436721      7.514127
  H      -4.909925      0.165898      8.510191
  H      -6.520195      5.950902      8.503710
  H      -9.942083      6.896044      5.626543
  H     -11.405834      5.540486      4.112538
  H     -11.085188      3.077405      3.954817
  H      -9.289199      1.955975      5.232274
  N      -2.695779      2.373971      3.415254
  N      -2.947997      3.287505      2.397025
  H      -2.867879      4.295366      2.679372
  H      -2.306554      3.075888      1.611895
  H      -3.897510      3.176143      1.993759
100
Coordinates from ORCA-job orca E -6707.534621909734
  N      -2.173610      3.375723      6.049338
  Mo     -2.287320      1.670625      5.052079
  N      -3.173129      0.559576      6.430626
  C      -2.331626      0.066681      7.531209
  C      -1.311944      1.091108      8.007638
  N      -0.461671      1.594245      6.915802
  C      -0.010539      2.984100      7.084244
  C      -0.832193      3.904152      6.142715
  C       0.589630      0.683498      6.446543
  C       0.547692      0.744555      4.916551
  N      -0.803851      0.419755      4.503522
  H      -0.360190      3.917730      5.147331
  H      -0.828655      4.943748      6.513333
  H       1.057900      3.061388      6.841036
  H      -0.133391      3.294295      8.132960
  H       1.277344      0.051571      4.463279
  H       0.821811      1.758670      4.581125
  H       0.358696     -0.339557      6.776271
  H       1.575233      0.961155      6.857925
  H      -2.945865     -0.209978      8.404926
  H      -1.827077     -0.863760      7.203810
  H      -1.852786      1.949359      8.425858
  H      -0.703717      0.649897      8.819675
  C      -3.121973      3.926730      7.003850
  C      -3.717886      5.276146      6.599978
  O      -4.777240      5.058406      5.625607
  C      -4.507239      5.192634      4.336991
  O      -3.463636      5.638284      3.861835
  C      -5.651109      4.675296      3.496531
  N      -6.133506      3.496282      3.866862
  C      -7.118417      2.967196      3.095837
  N      -7.643172      3.498404      2.007193
  C      -7.151877      4.706064      1.611827
  C      -7.678410      5.318664      0.448167
  C      -7.208845      6.552131      0.049581
  C      -6.207349      7.222879      0.795170
  C      -5.666771      6.650250      1.926711
  C      -6.118193      5.374953      2.351396
  C      -1.050763     -1.002698      4.296216
  C      -1.191894     -1.450987      2.833975
  O      -2.040897     -0.648045      1.951730
  C      -3.248588     -0.287676      2.407149
  O      -3.653172     -0.489917      3.537146
  C      -4.131489      0.371766      1.360547
  N      -5.422298      0.232615      1.640399
  C      -6.319838      0.785634      0.791794
  N      -6.058242      1.476160     -0.303298
  C      -4.741489      1.663438     -0.595727
  C      -4.411731      2.453754     -1.726845
  C      -3.094304      2.704857     -2.041280
  C      -2.056644      2.169617     -1.240588
  C      -2.341674      1.386739     -0.140167
  C      -3.690557      1.110793      0.219311
  C      -4.478301     -0.086636      6.364134
  C      -5.422220      0.241875      7.518129
  O      -5.893274      1.611035      7.509466
  C      -6.978220      1.851599      6.745020
  O      -7.511266      1.009778      6.042029
  C      -7.441892      3.284297      6.889346
  N      -6.748484      4.039791      7.729086
  C      -7.089304      5.345683      7.819397
  N      -8.008518      5.981345      7.119257
  C      -8.752832      5.218782      6.267678
  C      -9.761757      5.854092      5.501749
  C     -10.557907      5.110440      4.658778
  C     -10.383362      3.709674      4.559881
  C      -9.399517      3.062733      5.278237
  C      -8.543028      3.801369      6.137469
  H      -2.630210      4.065331      7.988522
  H      -3.958790      3.231636      7.161458
  H      -2.974434      5.970663      6.188918
  H      -4.231854      5.730752      7.456974
  H      -7.519933      2.012978      3.446442
  H      -8.456970      4.788870     -0.101600
  H      -7.616130      7.025447     -0.845123
  H      -5.865943      8.206674      0.470121
  H      -4.901159      7.172462      2.499982
  H      -1.923454     -1.346723      4.863655
  H      -0.181567     -1.572098      4.676585
  H      -1.589287     -2.477742      2.805328
  H      -0.221189     -1.427129      2.324072
  H      -7.371585      0.665946      1.064326
  H      -5.232868      2.854094     -2.322619
  H      -2.845994      3.316947     -2.909442
  H      -1.016905      2.370707     -1.503505
  H      -1.533655      0.958632      0.451865
  H      -4.952700      0.166830      5.408762
  H      -4.353713     -1.187534      6.368590
  H      -6.286717     -0.434706      7.478067
  H      -4.926558      0.143730      8.491728
  H      -6.513424      5.937983      8.537933
  H      -9.886881      6.931158      5.617836
  H     -11.338429      5.598121      4.072492
  H     -11.035751      3.133570      3.902343
  H      -9.271061      1.987420      5.200158
  N      -2.727658      2.346719      3.417569
  N      -3.016487      3.272149      2.415452
  H      -2.955474      4.279617      2.712490
  H      -2.381713      3.083451      1.616796
  H      -3.968928      3.138493      2.023290
100
Coordinates from ORCA-job orca E -6707.537230317035
  N      -2.149085      3.388575      6.043882
  Mo     -2.266998      1.680891      5.054286
  N      -3.179136      0.569135      6.408290
  C      -2.351195      0.056482      7.514269
  C      -1.330036      1.074895      8.013731
  N      -0.467880      1.582049      6.930172
  C      -0.006641      2.968398      7.110253
  C      -0.801330      3.900511      6.156601
  C       0.583796      0.666781      6.465074
  C       0.564302      0.746244      4.936053
  N      -0.784831      0.435154      4.502468
  H      -0.314204      3.909326      5.168454
  H      -0.789838      4.940082      6.528307
  H       1.066966      3.035928      6.886611
  H      -0.144012      3.277096      8.157489
  H       1.296151      0.054521      4.484015
  H       0.849289      1.762441      4.615744
  H       0.337732     -0.357294      6.780224
  H       1.565823      0.929334      6.895057
  H      -2.975558     -0.227654      8.377560
  H      -1.848456     -0.873286      7.182410
  H      -1.869692      1.932075      8.435979
  H      -0.730196      0.624298      8.827200
  C      -3.098409      3.936520      7.000893
  C      -3.706045      5.279785      6.605329
  O      -4.780233      5.055338      5.646442
  C      -4.531219      5.173631      4.352942
  O      -3.497903      5.619838      3.855738
  C      -5.674600      4.624984      3.531298
  N      -6.131038      3.440876      3.920760
  C      -7.110600      2.881832      3.160818
  N      -7.650581      3.387716      2.068205
  C      -7.187734      4.601010      1.654617
  C      -7.733282      5.187275      0.486194
  C      -7.289929      6.423360      0.067836
  C      -6.295480      7.123573      0.795693
  C      -5.736440      6.577883      1.931759
  C      -6.162672      5.300515      2.378581
  C      -1.038274     -0.986103      4.282159
  C      -1.166952     -1.426807      2.817975
  O      -2.023610     -0.631480      1.937890
  C      -3.244132     -0.296796      2.384652
  O      -3.658758     -0.526910      3.503994
  C      -4.123431      0.369413      1.335255
  N      -5.417405      0.218610      1.596784
  C      -6.307124      0.775839      0.742054
  N      -6.036941      1.480775     -0.342257
  C      -4.718019      1.678653     -0.616620
  C      -4.380241      2.481119     -1.736874
  C      -3.061751      2.744431     -2.032647
  C      -2.029723      2.210204     -1.224085
  C      -2.322025      1.414694     -0.134318
  C      -3.673856      1.124084      0.205645
  C      -4.493206     -0.059443      6.312595
  C      -5.449463      0.250858      7.460941
  O      -5.895378      1.628413      7.472007
  C      -6.979009      1.895585      6.713520
  O      -7.526288      1.069533      6.002561
  C      -7.429473      3.330021      6.879120
  N      -6.734000      4.067841      7.733703
  C      -7.066257      5.375642      7.841191
  N      -7.976679      6.028049      7.145137
  C      -8.722748      5.283129      6.279449
  C      -9.723359      5.936439      5.518120
  C     -10.521423      5.210292      4.661741
  C     -10.358074      3.809519      4.545897
  C      -9.383125      3.144823      5.260276
  C      -8.523550      3.866052      6.131175
  H      -2.599704      4.081015      7.980118
  H      -3.928386      3.233579      7.165464
  H      -2.970532      5.976779      6.184033
  H      -4.211046      5.730505      7.468395
  H      -7.485242      1.920501      3.519250
  H      -8.504605      4.635314     -0.051854
  H      -7.712056      6.876176     -0.830573
  H      -5.974154      8.107865      0.452410
  H      -4.974477      7.120694      2.490132
  H      -1.916723     -1.329148      4.840926
  H      -0.175031     -1.562689      4.666161
  H      -1.546802     -2.460287      2.785509
  H      -0.193813     -1.385679      2.313185
  H      -7.361960      0.643016      0.998291
  H      -5.197549      2.880497     -2.338525
  H      -2.807385      3.366180     -2.892184
  H      -0.988282      2.421692     -1.471278
  H      -1.519361      0.987995      0.464927
  H      -4.953269      0.224441      5.357421
  H      -4.379797     -1.161117      6.290002
  H      -6.321736     -0.412823      7.393449
  H      -4.971085      0.122409      8.439345
  H      -6.489862      5.952762      8.571593
  H      -9.841116      7.012734      5.648216
  H     -11.295571      5.711916      4.078773
  H     -11.012274      3.247362      3.877953
  H      -9.264621      2.068632      5.170297
  N      -2.744360      2.327823      3.414217
  N      -3.041467      3.272037      2.428597
  H      -2.987982      4.274266      2.747333
  H      -2.405227      3.104178      1.625977
  H      -3.994829      3.133988      2.038983
100
Coordinates from ORCA-job orca E -6707.539824863952
  N      -2.134032      3.410900      6.027837
  Mo     -2.253619      1.691525      5.058106
  N      -3.178966      0.576991      6.394380
  C      -2.357894      0.052515      7.502657
  C      -1.343009      1.072990      8.015868
  N      -0.478673      1.584678      6.934049
  C      -0.011136      2.969290      7.122607
  C      -0.782394      3.908190      6.156967
  C       0.575491      0.667084      6.473718
  C       0.572344      0.756935      4.946462
  N      -0.775173      0.455254      4.500374
  H      -0.282332      3.910618      5.175316
  H      -0.763550      4.948495      6.527350
  H       1.066807      3.029634      6.917648
  H      -0.162695      3.278214      8.167714
  H       1.306283      0.066116      4.496379
  H       0.864177      1.774131      4.635394
  H       0.319597     -0.357118      6.780629
  H       1.553695      0.920161      6.918023
  H      -2.987583     -0.240485      8.358677
  H      -1.851746     -0.873861      7.167637
  H      -1.885881      1.927036      8.440226
  H      -0.743575      0.621869      8.829284
  C      -3.089645      3.953250      6.983061
  C      -3.706753      5.290623      6.592567
  O      -4.791732      5.068309      5.643423
  C      -4.547054      5.174398      4.348803
  O      -3.511045      5.608407      3.845535
  C      -5.687938      4.624081      3.525466
  N      -6.150188      3.443886      3.918710
  C      -7.120106      2.879584      3.146784
  N      -7.641266      3.375039      2.041630
  C      -7.174460      4.586542      1.625937
  C      -7.703011      5.163206      0.445107
  C      -7.253720      6.395685      0.023724
  C      -6.269095      7.101978      0.758959
  C      -5.726207      6.566007      1.907675
  C      -6.160689      5.292432      2.359892
  C      -1.034384     -0.965657      4.272625
  C      -1.157410     -1.404115      2.809328
  O      -2.024961     -0.618649      1.935176
  C      -3.256364     -0.312230      2.378260
  O      -3.676798     -0.572708      3.488134
  C      -4.134011      0.356385      1.326969
  N      -5.429977      0.199889      1.575482
  C      -6.311737      0.762544      0.714967
  N      -6.033760      1.475240     -0.362378
  C      -4.712793      1.675297     -0.625135
  C      -4.367493      2.482270     -1.740241
  C      -3.047780      2.748998     -2.024026
  C      -2.021261      2.215665     -1.207790
  C      -2.321154      1.416192     -0.122714
  C      -3.675789      1.118015      0.203295
  C      -4.495369     -0.047848      6.284066
  C      -5.451791      0.238739      7.438181
  O      -5.890582      1.618639      7.473621
  C      -6.988192      1.894341      6.736955
  O      -7.552480      1.071911      6.034897
  C      -7.433013      3.328874      6.911590
  N      -6.729394      4.062414      7.764004
  C      -7.058790      5.371694      7.877120
  N      -7.972265      6.027486      7.189092
  C      -8.725446      5.286851      6.325696
  C      -9.728144      5.945265      5.571956
  C     -10.532022      5.224279      4.716652
  C     -10.372230      3.823715      4.595266
  C      -9.395886      3.153348      5.302876
  C      -8.530415      3.869831      6.172111
  H      -2.590784      4.108743      7.959960
  H      -3.909381      3.238345      7.151693
  H      -2.974832      5.986636      6.163238
  H      -4.203815      5.740402      7.459966
  H      -7.499909      1.920996      3.504231
  H      -8.465942      4.607057     -0.100539
  H      -7.662944      6.841367     -0.884242
  H      -5.942240      8.082516      0.410283
  H      -4.970344      7.112087      2.470647
  H      -1.915695     -1.305145      4.828832
  H      -0.175316     -1.547606      4.658518
  H      -1.519809     -2.444139      2.779219
  H      -0.184904     -1.348106      2.304284
  H      -7.368934      0.623251      0.959263
  H      -5.181986      2.880967     -2.346160
  H      -2.786955      3.373831     -2.879505
  H      -0.977844      2.430721     -1.443139
  H      -1.524391      0.991815      0.485233
  H      -4.955389      0.256896      5.334968
  H      -4.380086     -1.148349      6.237911
  H      -6.325828     -0.420308      7.356033
  H      -4.976152      0.086717      8.414606
  H      -6.475446      5.944985      8.604977
  H      -9.842945      7.021384      5.706381
  H     -11.307778      5.730007      4.139374
  H     -11.030570      3.265524      3.927797
  H      -9.281879      2.076805      5.208808
  N      -2.771838      2.306031      3.412533
  N      -3.073055      3.259826      2.431447
  H      -3.019683      4.255018      2.771510
  H      -2.432765      3.107972      1.628840
  H      -4.027860      3.121700      2.047240
100
Coordinates from ORCA-job orca E -6707.542382563990
  N      -2.120429      3.431015      6.004700
  Mo     -2.238442      1.702119      5.051956
  N      -3.185403      0.586224      6.366062
  C      -2.380279      0.050787      7.480343
  C      -1.374947      1.068632      8.010154
  N      -0.499548      1.584300      6.938387
  C      -0.026450      2.966069      7.141800
  C      -0.766904      3.914331      6.161865
  C       0.558612      0.663239      6.491040
  C       0.582015      0.761754      4.965264
  N      -0.761126      0.471171      4.496550
  H      -0.248405      3.914127      5.190373
  H      -0.744440      4.953387      6.535204
  H       1.056563      3.019769      6.963749
  H      -0.200784      3.272247      8.184078
  H       1.319613      0.070197      4.523092
  H       0.883599      1.779046      4.664757
  H       0.289934     -0.360923      6.786835
  H       1.529279      0.906495      6.956407
  H      -3.021959     -0.247595      8.325919
  H      -1.869716     -0.872631      7.146051
  H      -1.923660      1.920234      8.431518
  H      -0.783400      0.614879      8.827172
  C      -3.084136      3.967398      6.958366
  C      -3.714389      5.300960      6.575447
  O      -4.810573      5.069347      5.641278
  C      -4.577165      5.162416      4.344750
  O      -3.546298      5.595784      3.828939
  C      -5.717521      4.593873      3.535117
  N      -6.170068      3.418807      3.951123
  C      -7.134413      2.831250      3.189295
  N      -7.658922      3.300413      2.075339
  C      -7.202302      4.508142      1.636449
  C      -7.734808      5.056610      0.444355
  C      -7.293098      6.282951     -0.002509
  C      -6.311762      7.009533      0.717040
  C      -5.765755      6.501140      1.876671
  C      -6.194129      5.236010      2.356442
  C      -1.027458     -0.947587      4.258054
  C      -1.137528     -1.381013      2.793005
  O      -2.008024     -0.601861      1.919960
  C      -3.251176     -0.324251      2.352532
  O      -3.686401     -0.617898      3.448323
  C      -4.117608      0.352457      1.298901
  N      -5.414932      0.192706      1.530728
  C      -6.286374      0.764336      0.665585
  N      -5.996396      1.485921     -0.402089
  C      -4.672024      1.686640     -0.649183
  C      -4.313565      2.502079     -1.754160
  C      -2.990537      2.772180     -2.019019
  C      -1.974526      2.235169     -1.192151
  C      -2.287780      1.428174     -0.116829
  C      -3.645688      1.123699      0.187714
  C      -4.502637     -0.031089      6.233355
  C      -5.462975      0.235280      7.388069
  O      -5.893445      1.617246      7.452936
  C      -6.998606      1.912473      6.734557
  O      -7.577015      1.105785      6.025968
  C      -7.430468      3.347024      6.937062
  N      -6.717176      4.056761      7.801521
  C      -7.034362      5.366571      7.942129
  N      -7.943669      6.044153      7.270426
  C      -8.706083      5.328458      6.394275
  C      -9.704012      6.012305      5.656904
  C     -10.516809      5.317437      4.788587
  C     -10.370629      3.918361      4.637807
  C      -9.399738      3.223681      5.329498
  C      -8.525021      3.913136      6.211362
  H      -2.584332      4.127981      7.934598
  H      -3.894692      3.243198      7.128849
  H      -2.992123      6.001048      6.136835
  H      -4.203078      5.748213      7.449218
  H      -7.506077      1.876189      3.564844
  H      -8.493436      4.484133     -0.090116
  H      -7.704905      6.707450     -0.919479
  H      -5.989333      7.983579      0.346684
  H      -5.010191      7.061123      2.426726
  H      -1.917237     -1.282380      4.804018
  H      -0.176937     -1.536550      4.651617
  H      -1.486762     -2.425482      2.759458
  H      -0.162751     -1.312472      2.294169
  H      -7.345512      0.625979      0.898253
  H      -5.121401      2.903991     -2.366833
  H      -2.718830      3.403175     -2.866615
  H      -0.928093      2.453704     -1.410544
  H      -1.499527      1.002380      0.501390
  H      -4.954735      0.295737      5.289015
  H      -4.390325     -1.130339      6.164575
  H      -6.339974     -0.416685      7.284944
  H      -4.994443      0.056761      8.363934
  H      -6.443293      5.919493      8.679573
  H      -9.808121      7.086433      5.814133
  H     -11.288910      5.842706      4.224026
  H     -11.035618      3.380556      3.960299
  H      -9.297998      2.148641      5.213594
  N      -2.788178      2.279937      3.402388
  N      -3.079747      3.247909      2.431054
  H      -3.028661      4.236563      2.790389
  H      -2.433567      3.112207      1.631268
  H      -4.032704      3.112198      2.045340
100
Coordinates from ORCA-job orca E -6707.544780651676
  N      -2.121234      3.451882      5.983138
  Mo     -2.231634      1.710047      5.049723
  N      -3.186407      0.588594      6.348795
  C      -2.391672      0.048153      7.465431
  C      -1.401077      1.067129      8.003444
  N      -0.524065      1.590957      6.937070
  C      -0.051576      2.971869      7.157302
  C      -0.768686      3.926008      6.166656
  C       0.542502      0.673203      6.500382
  C       0.586449      0.778055      4.976543
  N      -0.751914      0.491432      4.490521
  H      -0.234285      3.926372      5.204308
  H      -0.746059      4.963388      6.544147
  H       1.035205      3.024414      7.004545
  H      -0.249095      3.272378      8.197010
  H       1.328969      0.088235      4.540819
  H       0.890885      1.796370      4.683644
  H       0.270050     -0.352568      6.786958
  H       1.504678      0.914721      6.983188
  H      -3.040364     -0.257253      8.303301
  H      -1.872504     -0.869804      7.130825
  H      -1.959620      1.913747      8.421606
  H      -0.810372      0.616211      8.821970
  C      -3.095895      3.975034      6.934837
  C      -3.736003      5.306738      6.556583
  O      -4.835827      5.066493      5.628574
  C      -4.600252      5.152197      4.332128
  O      -3.566206      5.581324      3.817505
  C      -5.735823      4.576964      3.521539
  N      -6.187908      3.406299      3.946963
  C      -7.141862      2.805281      3.183471
  N      -7.657773      3.258866      2.059685
  C      -7.202237      4.464110      1.611291
  C      -7.725989      4.995223      0.407978
  C      -7.284404      6.217922     -0.050291
  C      -6.312321      6.955924      0.669622
  C      -5.775656      6.463828      1.840527
  C      -6.203904      5.204016      2.331923
  C      -1.020184     -0.926461      4.246803
  C      -1.120692     -1.357173      2.781371
  O      -1.998565     -0.585749      1.912382
  C      -3.252133     -0.343272      2.336674
  O      -3.697301     -0.674181      3.417502
  C      -4.112492      0.338364      1.285169
  N      -5.408966      0.166871      1.504805
  C      -6.277665      0.741116      0.638518
  N      -5.983945      1.474327     -0.419007
  C      -4.658224      1.685449     -0.655200
  C      -4.296864      2.512233     -1.750793
  C      -2.973005      2.792892     -2.003032
  C      -1.961086      2.256017     -1.171304
  C      -2.277852      1.438753     -0.105165
  C      -3.635342      1.121767      0.184449
  C      -4.501481     -0.027576      6.201452
  C      -5.464132      0.221292      7.357301
  O      -5.890020      1.603633      7.449666
  C      -7.002523      1.914239      6.748876
  O      -7.594913      1.120578      6.037468
  C      -7.421271      3.349111      6.973366
  N      -6.702792      4.037784      7.850200
  C      -7.009630      5.347218      8.013653
  N      -7.911862      6.043953      7.352349
  C      -8.677674      5.350711      6.461494
  C      -9.666733      6.056991      5.733021
  C     -10.482522      5.385682      4.849157
  C     -10.347824      3.988317      4.673661
  C      -9.386441      3.272607      5.357077
  C      -8.508838      3.937449      6.254576
  H      -2.601185      4.137217      7.914382
  H      -3.898369      3.242140      7.101609
  H      -3.020700      6.010939      6.113798
  H      -4.220931      5.752713      7.433424
  H      -7.511876      1.852030      3.567163
  H      -8.476833      4.412861     -0.126546
  H      -7.688958      6.630011     -0.976105
  H      -5.988853      7.926197      0.290293
  H      -5.026166      7.032781      2.390200
  H      -1.916629     -1.257555      4.784788
  H      -0.175971     -1.518407      4.648104
  H      -1.455498     -2.406247      2.744740
  H      -0.146057     -1.274804      2.284590
  H      -7.336774      0.593275      0.861922
  H      -5.102968      2.913539     -2.366111
  H      -2.697780      3.432009     -2.843361
  H      -0.914287      2.483965     -1.378466
  H      -1.491896      1.016267      0.518012
  H      -4.950251      0.315185      5.262715
  H      -4.388781     -1.125159      6.113824
  H      -6.343597     -0.424259      7.234821
  H      -5.002254      0.019875      8.332095
  H      -6.416888      5.881953      8.762939
  H      -9.761452      7.128992      5.909396
  H     -11.247610      5.928064      4.291394
  H     -11.014454      3.468458      3.984002
  H      -9.294879      2.199306      5.222461
  N      -2.820310      2.252492      3.401322
  N      -3.108272      3.229622      2.438241
  H      -3.062396      4.210591      2.816191
  H      -2.456741      3.114429      1.640578
  H      -4.059296      3.094031      2.052250
100
Coordinates from ORCA-job orca E -6707.546983473324
  N      -2.124374      3.474818      5.956308
  Mo     -2.223489      1.717117      5.044617
  N      -3.187550      0.589098      6.327150
  C      -2.404883      0.046017      7.449730
  C      -1.429279      1.072921      8.000623
  N      -0.549960      1.604256      6.938923
  C      -0.079858      2.985397      7.171875
  C      -0.773395      3.941667      6.168053
  C       0.527697      0.689581      6.517331
  C       0.594970      0.794557      4.994823
  N      -0.737259      0.508622      4.489310
  H      -0.220901      3.941555      5.216089
  H      -0.752991      4.978273      6.548452
  H       1.010343      3.037026      7.045660
  H      -0.302214      3.283664      8.207013
  H       1.343593      0.104610      4.569940
  H       0.902241      1.812946      4.705308
  H       0.253434     -0.337252      6.798231
  H       1.480240      0.933313      7.017496
  H      -3.061632     -0.267027      8.277910
  H      -1.874592     -0.866540      7.117235
  H      -1.999764      1.914391      8.413474
  H      -0.840204      0.627887      8.823558
  C      -3.109537      3.982625      6.907310
  C      -3.765071      5.310284      6.536824
  O      -4.875243      5.064305      5.621421
  C      -4.647809      5.146546      4.323968
  O      -3.616271      5.577295      3.805053
  C      -5.780395      4.558872      3.517255
  N      -6.230668      3.391335      3.953411
  C      -7.175166      2.775745      3.189791
  N      -7.685495      3.214483      2.057125
  C      -7.231702      4.416776      1.597806
  C      -7.747469      4.930277      0.383742
  C      -7.303443      6.147123     -0.088495
  C      -6.336298      6.894902      0.627709
  C      -5.808361      6.419542      1.809560
  C      -6.241002      5.168069      2.316158
  C      -1.005588     -0.909666      4.243282
  C      -1.093802     -1.341776      2.779107
  O      -1.976431     -0.578268      1.908970
  C      -3.241870     -0.367835      2.317239
  O      -3.698987     -0.734207      3.380958
  C      -4.094735      0.321439      1.263840
  N      -5.393088      0.144790      1.468726
  C      -6.255449      0.723468      0.597965
  N      -5.953133      1.464128     -0.451120
  C      -4.625252      1.679535     -0.673810
  C      -4.255859      2.514509     -1.760100
  C      -2.930210      2.800816     -1.996717
  C      -1.925900      2.261939     -1.157727
  C      -2.250229      1.436128     -0.099989
  C      -3.609524      1.113165      0.172381
  C      -4.500376     -0.026780      6.155754
  C      -5.474234      0.200304      7.306803
  O      -5.893576      1.582511      7.428551
  C      -7.010335      1.916432      6.745215
  O      -7.618392      1.143688      6.024161
  C      -7.409961      3.350716      7.004383
  N      -6.682875      4.006452      7.899216
  C      -6.973790      5.314145      8.099454
  N      -7.866570      6.040119      7.456753
  C      -8.639373      5.381506      6.545979
  C      -9.617692      6.120657      5.835590
  C     -10.440461      5.485052      4.932121
  C     -10.323594      4.091307      4.718538
  C      -9.373795      3.344506      5.384316
  C      -8.488846      3.972267      6.300949
  H      -2.619190      4.145361      7.888919
  H      -3.903755      3.240255      7.071837
  H      -3.060341      6.020447      6.086902
  H      -4.243005      5.752747      7.418907
  H      -7.541098      1.823560      3.580393
  H      -8.492580      4.338962     -0.148868
  H      -7.701061      6.545796     -1.023064
  H      -6.008531      7.858998      0.236480
  H      -5.060141      6.994312      2.354635
  H      -1.910055     -1.236811      4.770549
  H      -0.168546     -1.503172      4.656464
  H      -1.416341     -2.394683      2.740694
  H      -0.118335     -1.248810      2.285417
  H      -7.315927      0.572051      0.812117
  H      -5.056746      2.917658     -2.380973
  H      -2.648007      3.446168     -2.829876
  H      -0.878250      2.496447     -1.353086
  H      -1.468062      1.015151      0.527931
  H      -4.940203      0.334026      5.218962
  H      -4.387056     -1.122256      6.047045
  H      -6.355535     -0.437230      7.158251
  H      -5.025631     -0.027250      8.281771
  H      -6.376482      5.820684      8.864558
  H      -9.698370      7.188498      6.041516
  H     -11.197136      6.052606      4.388172
  H     -10.995065      3.598939      4.013586
  H      -9.297166      2.274007      5.220806
  N      -2.843560      2.218727      3.389703
  N      -3.120129      3.204347      2.431455
  H      -3.078447      4.182293      2.819952
  H      -2.464140      3.102763      1.635242
  H      -4.069192      3.068493      2.039880
100
Coordinates from ORCA-job orca E -6707.549118983467
  N      -2.132491      3.493067      5.941514
  Mo     -2.220657      1.723955      5.046360
  N      -3.189622      0.586111      6.313559
  C      -2.419027      0.036445      7.439313
  C      -1.456539      1.066287      8.002795
  N      -0.578132      1.608888      6.944885
  C      -0.111181      2.989794      7.196020
  C      -0.782229      3.949993      6.182228
  C       0.510446      0.700405      6.532423
  C       0.598785      0.812929      5.011869
  N      -0.726266      0.528778      4.486109
  H      -0.212474      3.950097      5.240476
  H      -0.763392      4.985447      6.566410
  H       0.981658      3.041434      7.095487
  H      -0.357683      3.282190      8.227239
  H       1.353215      0.124923      4.594117
  H       0.907756      1.832953      4.730164
  H       0.236547     -0.329330      6.802833
  H       1.453750      0.945404      7.048871
  H      -3.082862     -0.285737      8.257758
  H      -1.879454     -0.870340      7.105017
  H      -2.037989      1.901293      8.413964
  H      -0.867067      0.624299      8.827141
  C      -3.128762      3.991241      6.887083
  C      -3.789586      5.315418      6.510618
  O      -4.902043      5.057564      5.599956
  C      -4.675969      5.123566      4.300257
  O      -3.646317      5.551133      3.775333
  C      -5.807404      4.521500      3.502292
  N      -6.250392      3.356504      3.953253
  C      -7.187507      2.722523      3.197149
  N      -7.699288      3.142582      2.056927
  C      -7.254050      4.342505      1.583015
  C      -7.771267      4.835502      0.361083
  C      -7.335527      6.049466     -0.127055
  C      -6.376074      6.814052      0.581545
  C      -5.847302      6.358663      1.770970
  C      -6.270780      5.110828      2.293150
  C      -0.995019     -0.889095      4.235379
  C      -1.070946     -1.317603      2.770952
  O      -1.959898     -0.558396      1.904044
  C      -3.236114     -0.385564      2.298304
  O      -3.701434     -0.792061      3.343132
  C      -4.084075      0.315284      1.248418
  N      -5.383492      0.126002      1.437689
  C      -6.243016      0.707870      0.565711
  N      -5.936176      1.463583     -0.470866
  C      -4.607844      1.692862     -0.678270
  C      -4.236632      2.543938     -1.750808
  C      -2.911121      2.844487     -1.972386
  C      -1.910205      2.303225     -1.131318
  C      -2.235975      1.460761     -0.086679
  C      -3.594748      1.124067      0.169976
  C      -4.500935     -0.026989      6.118465
  C      -5.485576      0.180491      7.263708
  O      -5.893489      1.562808      7.412607
  C      -7.013223      1.919701      6.746852
  O      -7.640843      1.165101      6.023789
  C      -7.387541      3.356649      7.031003
  N      -6.654718      3.981949      7.942793
  C      -6.925087      5.289197      8.169658
  N      -7.800324      6.044230      7.535378
  C      -8.576510      5.418070      6.605063
  C      -9.535510      6.188911      5.901549
  C     -10.361916      5.586654      4.978855
  C     -10.268429      4.195281      4.738270
  C      -9.338488      3.418653      5.397495
  C      -8.449749      4.011364      6.333302
  H      -2.647806      4.153121      7.873007
  H      -3.922299      3.246819      7.046349
  H      -3.089799      6.026102      6.054239
  H      -4.266513      5.762655      7.390569
  H      -7.544284      1.771889      3.600031
  H      -8.510099      4.230668     -0.165035
  H      -7.734147      6.432270     -1.067735
  H      -6.054364      7.775471      0.178782
  H      -5.105028      6.947092      2.309566
  H      -1.907894     -1.213832      4.750019
  H      -0.165710     -1.485719      4.659029
  H      -1.380686     -2.374076      2.725497
  H      -0.095072     -1.210797      2.280505
  H      -7.304199      0.541760      0.766168
  H      -5.034952      2.948373     -2.374141
  H      -2.627207      3.502342     -2.795053
  H      -0.863435      2.550482     -1.315657
  H      -1.453643      1.041813      0.541709
  H      -4.932012      0.353442      5.184522
  H      -4.390018     -1.120096      5.988314
  H      -6.370599     -0.445415      7.088563
  H      -5.051385     -0.073983      8.238348
  H      -6.327369      5.769434      8.951124
  H      -9.598259      7.253689      6.128524
  H     -11.103487      6.178560      4.440084
  H     -10.942211      3.728702      4.018156
  H      -9.280751      2.349989      5.214219
  N      -2.877783      2.193132      3.393528
  N      -3.148717      3.190821      2.447618
  H      -3.115715      4.163886      2.849169
  H      -2.488735      3.110984      1.651607
  H      -4.095378      3.055876      2.048999
100
Coordinates from ORCA-job orca E -6707.551093755202
  N      -2.149082      3.511165      5.917248
  Mo     -2.222848      1.727863      5.045033
  N      -3.186639      0.582403      6.306956
  C      -2.422826      0.033957      7.436256
  C      -1.474734      1.072204      8.005032
  N      -0.603683      1.624687      6.945095
  C      -0.144313      3.008236      7.203849
  C      -0.800183      3.963759      6.178448
  C       0.497233      0.724877      6.541133
  C       0.601045      0.838873      5.021815
  N      -0.716418      0.549258      4.480190
  H      -0.217353      3.961060      5.244741
  H      -0.785323      5.000276      6.560299
  H       0.949969      3.063416      7.122748
  H      -0.410208      3.299984      8.230325
  H       1.362352      0.153356      4.612429
  H       0.907830      1.860243      4.742839
  H       0.228779     -0.307576      6.806459
  H       1.432480      0.976792      7.068537
  H      -3.090182     -0.296057      8.248340
  H      -1.872466     -0.866699      7.102797
  H      -2.068303      1.899902      8.413970
  H      -0.880227      0.638558      8.829976
  C      -3.150535      3.997567      6.865686
  C      -3.819481      5.320034      6.495190
  O      -4.937745      5.067075      5.589797
  C      -4.706465      5.140550      4.289751
  O      -3.675629      5.576949      3.775275
  C      -5.826497      4.536099      3.478740
  N      -6.270314      3.367937      3.919805
  C      -7.192297      2.731795      3.148879
  N      -7.690178      3.152744      2.001657
  C      -7.243828      4.355327      1.538003
  C      -7.743788      4.849620      0.309116
  C      -7.303506      6.065526     -0.170528
  C      -6.355981      6.830582      0.553584
  C      -5.844629      6.374104      1.750239
  C      -6.274074      5.125208      2.264300
  C      -0.982107     -0.870285      4.233995
  C      -1.049701     -1.304008      2.771629
  O      -1.949902     -0.556591      1.906792
  C      -3.235124     -0.423959      2.290581
  O      -3.701486     -0.866941      3.320136
  C      -4.085219      0.280166      1.244929
  N      -5.384087      0.078135      1.426491
  C      -6.245100      0.657382      0.554711
  N      -5.939847      1.421483     -0.476648
  C      -4.612754      1.664565     -0.676297
  C      -4.245455      2.525540     -1.741800
  C      -2.921656      2.840777     -1.955816
  C      -1.919585      2.303672     -1.113488
  C      -2.241602      1.450703     -0.075748
  C      -3.597950      1.100056      0.173298
  C      -4.493904     -0.037205      6.099880
  C      -5.481573      0.152842      7.245469
  O      -5.885305      1.532841      7.414845
  C      -7.016649      1.897144      6.774765
  O      -7.665175      1.147975      6.065049
  C      -7.372327      3.337236      7.069143
  N      -6.635447      3.946269      7.988459
  C      -6.892903      5.253317      8.227920
  N      -7.756098      6.025007      7.596048
  C      -8.533527      5.416484      6.655328
  C      -9.478424      6.204670      5.951592
  C     -10.306160      5.620121      5.018789
  C     -10.228846      4.229319      4.767486
  C      -9.313421      3.436256      5.427269
  C      -8.423198      4.010379      6.373176
  H      -2.673640      4.155451      7.853345
  H      -3.941470      3.249078      7.021211
  H      -3.125870      6.034102      6.034973
  H      -4.291906      5.764278      7.379202
  H      -7.549043      1.778778      3.545547
  H      -8.472355      4.243218     -0.229374
  H      -7.688580      6.448564     -1.116707
  H      -6.028838      7.792868      0.157290
  H      -5.109773      6.961414      2.299921
  H      -1.900235     -1.192612      4.741258
  H      -0.157307     -1.465403      4.668196
  H      -1.343880     -2.364867      2.726667
  H      -0.075532     -1.183220      2.280865
  H      -7.305749      0.480410      0.749805
  H      -5.044303      2.926514     -2.366660
  H      -2.640861      3.506515     -2.773164
  H      -0.874801      2.563403     -1.292019
  H      -1.456442      1.037864      0.552844
  H      -4.925265      0.352625      5.169526
  H      -4.378803     -1.127779      5.955782
  H      -6.368152     -0.467223      7.056939
  H      -5.050383     -0.119647      8.216592
  H      -6.296284      5.719043      9.018784
  H      -9.528986      7.268322      6.186802
  H     -11.036602      6.225555      4.479796
  H     -10.903353      3.776517      4.039316
  H      -9.268793      2.368117      5.237209
  N      -2.922414      2.156634      3.394369
  N      -3.192632      3.158646      2.452807
  H      -3.170010      4.131646      2.856485
  H      -2.531957      3.095401      1.655052
  H      -4.136968      3.019995      2.050164
100
Coordinates from ORCA-job orca E -6707.553132749606
  N      -2.162396      3.527033      5.896927
  Mo     -2.222047      1.733323      5.043517
  N      -3.189292      0.576809      6.287923
  C      -2.439088      0.021717      7.423585
  C      -1.505712      1.066429      8.008061
  N      -0.635445      1.631605      6.951580
  C      -0.183602      3.016928      7.225193
  C      -0.815968      3.973959      6.187296
  C       0.478241      0.739589      6.558269
  C       0.604107      0.858938      5.040933
  N      -0.704801      0.569722      4.478324
  H      -0.215028      3.971846      5.265123
  H      -0.805926      5.010021      6.570950
  H       0.912315      3.074588      7.171368
  H      -0.474960      3.304626      8.245716
  H       1.372015      0.174532      4.641996
  H       0.913730      1.881258      4.768667
  H       0.212134     -0.295415      6.815588
  H       1.403838      0.994863      7.100602
  H      -3.114756     -0.318162      8.224135
  H      -1.878698     -0.872833      7.091150
  H      -2.111974      1.886028      8.414777
  H      -0.910803      0.638293      8.835152
  C      -3.173920      4.002319      6.842366
  C      -3.850953      5.320212      6.475641
  O      -4.975530      5.056857      5.580009
  C      -4.754879      5.119904      4.276953
  O      -3.730167      5.556236      3.751267
  C      -5.873347      4.495800      3.479320
  N      -6.306336      3.329594      3.938357
  C      -7.222325      2.672858      3.177246
  N      -7.724875      3.071459      2.023977
  C      -7.291010      4.271340      1.542226
  C      -7.795607      4.741793      0.305617
  C      -7.365632      5.952846     -0.194209
  C      -6.423471      6.737515      0.515927
  C      -5.907634      6.305365      1.719703
  C      -6.327308      5.061672      2.255481
  C      -0.971313     -0.850007      4.230239
  C      -1.024919     -1.283304      2.768125
  O      -1.926484     -0.538349      1.904131
  C      -3.221668     -0.441879      2.268547
  O      -3.696018     -0.926493      3.275570
  C      -4.065032      0.276209      1.225579
  N      -5.365423      0.068385      1.390452
  C      -6.218416      0.653995      0.515298
  N      -5.904823      1.430639     -0.504670
  C      -4.576671      1.679712     -0.687375
  C      -4.201625      2.553284     -1.739859
  C      -2.877060      2.875130     -1.937543
  C      -1.881737      2.331646     -1.091478
  C      -2.211058      1.465957     -0.066218
  C      -3.568880      1.108856      0.166712
  C      -4.493941     -0.039191      6.050136
  C      -5.498959      0.131647      7.183564
  O      -5.883507      1.513613      7.379057
  C      -7.016050      1.908318      6.758689
  O      -7.687480      1.182894      6.045885
  C      -7.343864      3.348795      7.085791
  N      -6.600357      3.919472      8.024537
  C      -6.834749      5.224168      8.297949
  N      -7.677694      6.029673      7.680718
  C      -8.459599      5.461770      6.718759
  C      -9.382673      6.287101      6.028677
  C     -10.215608      5.744128      5.075839
  C     -10.165917      4.358694      4.789869
  C      -9.272538      3.530085      5.436074
  C      -8.376594      4.061018      6.401760
  H      -2.704157      4.156244      7.833452
  H      -3.962437      3.248997      6.989837
  H      -3.164612      6.036941      6.008411
  H      -4.318679      5.764348      7.361645
  H      -7.566377      1.720061      3.585188
  H      -8.518659      4.120094     -0.222777
  H      -7.754416      6.316529     -1.146518
  H      -6.103569      7.695194      0.102924
  H      -5.175529      6.906430      2.257737
  H      -1.898019     -1.168079      4.725082
  H      -0.155431     -1.448588      4.676369
  H      -1.309754     -2.346538      2.719787
  H      -0.049194     -1.153006      2.282694
  H      -7.280515      0.469032      0.694838
  H      -4.995308      2.958634     -2.368450
  H      -2.590717      3.550670     -2.744902
  H      -0.836174      2.596913     -1.256813
  H      -1.429991      1.051102      0.565539
  H      -4.910928      0.370504      5.121480
  H      -4.379127     -1.126736      5.885943
  H      -6.389548     -0.472213      6.964729
  H      -5.087751     -0.171849      8.154230
  H      -6.236474      5.656829      9.106250
  H      -9.412628      7.345282      6.290698
  H     -10.929169      6.378390      4.547431
  H     -10.844319      3.938531      4.045851
  H      -9.249792      2.466060      5.219980
  N      -2.951696      2.129346      3.392221
  N      -3.202527      3.143003      2.456946
  H      -3.184088      4.112532      2.868327
  H      -2.534098      3.094747      1.663647
  H      -4.142323      3.012369      2.041516
100
Coordinates from ORCA-job orca E -6707.555092772105
  N      -2.159056      3.538990      5.876894
  Mo     -2.215305      1.737732      5.042324
  N      -3.188845      0.577975      6.273374
  C      -2.453890      0.015589      7.416108
  C      -1.526531      1.060109      8.013586
  N      -0.654633      1.631598      6.960192
  C      -0.204940      3.017036      7.242899
  C      -0.811466      3.974082      6.191177
  C       0.465484      0.742130      6.574134
  C       0.611479      0.867812      5.058722
  N      -0.689606      0.584997      4.474476
  H      -0.194824      3.965015      5.279539
  H      -0.800471      5.011623      6.570833
  H       0.892126      3.072559      7.213003
  H      -0.517589      3.305680      8.256553
  H       1.382691      0.181420      4.669366
  H       0.929162      1.889611      4.794262
  H       0.196925     -0.294121      6.823302
  H       1.384378      0.995515      7.128574
  H      -3.139526     -0.328008      8.206234
  H      -1.889978     -0.877278      7.085998
  H      -2.138490      1.875965      8.419442
  H      -0.933304      0.632717      8.841779
  C      -3.175244      4.016187      6.818538
  C      -3.851840      5.332778      6.448912
  O      -4.984408      5.064888      5.564452
  C      -4.773913      5.111976      4.258530
  O      -3.754886      5.544681      3.719602
  C      -5.894252      4.473506      3.476702
  N      -6.317545      3.310101      3.952582
  C      -7.231821      2.637595      3.203412
  N      -7.743110      3.018160      2.048052
  C      -7.320026      4.214595      1.549200
  C      -7.832976      4.666318      0.308706
  C      -7.411743      5.872179     -0.209464
  C      -6.469618      6.671381      0.484581
  C      -5.945728      6.258601      1.691569
  C      -6.357156      5.020294      2.247030
  C      -0.963213     -0.834106      4.225970
  C      -1.007100     -1.269248      2.764477
  O      -1.909289     -0.525703      1.901300
  C      -3.212409     -0.462049      2.248046
  O      -3.691417     -0.985172      3.232807
  C      -4.051377      0.272544      1.211909
  N      -5.352798      0.062522      1.365547
  C      -6.199775      0.657572      0.491763
  N      -5.880354      1.446178     -0.518017
  C      -4.551426      1.698004     -0.688701
  C      -4.170083      2.584129     -1.728621
  C      -2.844953      2.909261     -1.914470
  C      -1.854309      2.355860     -1.069211
  C      -2.189378      1.477567     -0.056486
  C      -3.548693      1.117930      0.165582
  C      -4.491048     -0.034866      6.008337
  C      -5.513690      0.122509      7.128640
  O      -5.892025      1.503275      7.344035
  C      -7.037441      1.910579      6.754898
  O      -7.734057      1.196221      6.055314
  C      -7.342623      3.352405      7.098931
  N      -6.586266      3.900361      8.040893
  C      -6.799418      5.205139      8.330364
  N      -7.630488      6.031585      7.724916
  C      -8.424346      5.487650      6.758900
  C      -9.332939      6.336204      6.078159
  C     -10.175344      5.818182      5.119859
  C     -10.150078      4.435266      4.818582
  C      -9.271457      3.584208      5.455821
  C      -8.366000      4.089056      6.426716
  H      -2.709921      4.167563      7.811577
  H      -3.965398      3.263420      6.961716
  H      -3.168374      6.045504      5.971157
  H      -4.312709      5.783137      7.335423
  H      -7.567409      1.687178      3.624128
  H      -8.554793      4.033383     -0.207959
  H      -7.807131      6.220301     -1.164911
  H      -6.156103      7.624431      0.056284
  H      -5.212662      6.869452      2.217078
  H      -1.898577     -1.144109      4.710280
  H      -0.158129     -1.438961      4.683034
  H      -1.286515     -2.333822      2.715700
  H      -0.030148     -1.133262      2.283013
  H      -7.263034      0.469653      0.660631
  H      -4.959858      2.996523     -2.357581
  H      -2.554704      3.594627     -2.712131
  H      -0.807757      2.623073     -1.224709
  H      -1.411827      1.056297      0.574807
  H      -4.892516      0.386891      5.077912
  H      -4.374286     -1.120311      5.832741
  H      -6.404479     -0.471835      6.887181
  H      -5.116816     -0.202129      8.098541
  H      -6.189646      5.619500      9.139641
  H      -9.344003      7.391999      6.351133
  H     -10.877631      6.470593      4.598422
  H     -10.835713      4.035244      4.070096
  H      -9.267284      2.522124      5.228967
  N      -2.979166      2.102401      3.394853
  N      -3.209288      3.128842      2.467559
  H      -3.192488      4.096935      2.882299
  H      -2.537542      3.091650      1.675430
  H      -4.145595      3.007866      2.041065
100
Coordinates from ORCA-job orca E -6707.557038280359
  N      -2.165984      3.544708      5.856913
  Mo     -2.213187      1.737952      5.039420
  N      -3.188508      0.575774      6.259343
  C      -2.467670      0.008543      7.409119
  C      -1.547695      1.052163      8.016885
  N      -0.675710      1.632020      6.967455
  C      -0.234429      3.019203      7.258394
  C      -0.819121      3.973508      6.193119
  C       0.452695      0.749876      6.586482
  C       0.617309      0.883716      5.073337
  N      -0.674708      0.604227      4.467672
  H      -0.188127      3.959420      5.291489
  H      -0.810586      5.012871      6.567441
  H       0.863078      3.077608      7.252336
  H      -0.569430      3.307642      8.264664
  H       1.393797      0.198053      4.693011
  H       0.940309      1.905932      4.817846
  H       0.185344     -0.288619      6.827271
  H       1.364856      1.003746      7.151743
  H      -3.163419     -0.337319      8.189228
  H      -1.900419     -0.883210      7.082524
  H      -2.165959      1.863656      8.421943
  H      -0.955200      0.626111      8.845821
  C      -3.188393      4.021837      6.794815
  C      -3.866292      5.337240      6.424216
  O      -5.004854      5.066992      5.548546
  C      -4.799935      5.105363      4.241409
  O      -3.781897      5.532967      3.696285
  C      -5.919315      4.459136      3.466788
  N      -6.340292      3.298783      3.952369
  C      -7.250706      2.617459      3.206195
  N      -7.761626      2.986560      2.047599
  C      -7.341935      4.180117      1.539342
  C      -7.853938      4.620348      0.294166
  C      -7.434206      5.821993     -0.234009
  C      -6.494058      6.629045      0.453675
  C      -5.971276      6.228001      1.664952
  C      -6.381684      4.994109      2.231230
  C      -0.952444     -0.815250      4.220891
  C      -0.985607     -1.254459      2.760613
  O      -1.889840     -0.515259      1.898326
  C      -3.199816     -0.489293      2.226847
  O      -3.679666     -1.053141      3.188359
  C      -4.037821      0.258804      1.199727
  N      -5.339015      0.042894      1.344825
  C      -6.183305      0.645824      0.474896
  N      -5.862215      1.448131     -0.524253
  C      -4.533279      1.705530     -0.686010
  C      -4.149889      2.605161     -1.714110
  C      -2.825218      2.935131     -1.892165
  C      -1.835838      2.373069     -1.050761
  C      -2.172865      1.482361     -0.049898
  C      -3.532342      1.117716      0.165151
  C      -4.489001     -0.034198      5.975511
  C      -5.520289      0.116400      7.088173
  O      -5.882508      1.498860      7.318737
  C      -7.041717      1.916201      6.763619
  O      -7.765573      1.208436      6.085404
  C      -7.327955      3.358944      7.119274
  N      -6.561977      3.889982      8.063203
  C      -6.760882      5.194549      8.364771
  N      -7.584595      6.035148      7.769493
  C      -8.386831      5.508902      6.800234
  C      -9.285902      6.373435      6.127636
  C     -10.134747      5.873112      5.165488
  C     -10.125942      4.492573      4.852509
  C      -9.257411      3.625808      5.482490
  C      -8.345455      4.112558      6.456625
  H      -2.728239      4.171218      7.790263
  H      -3.977057      3.266468      6.931729
  H      -3.185367      6.047117      5.938546
  H      -4.321754      5.791665      7.311649
  H      -7.583553      1.668399      3.632274
  H      -8.573593      3.981318     -0.218047
  H      -7.828965      6.160587     -1.193189
  H      -6.181459      7.578430      0.016673
  H      -5.238996      6.843471      2.186216
  H      -1.895432     -1.118353      4.695672
  H      -0.157167     -1.424028      4.689411
  H      -1.257487     -2.320966      2.714115
  H      -0.007716     -1.111327      2.283243
  H      -7.247038      0.453044      0.634826
  H      -4.938811      3.023081     -2.340543
  H      -2.534236      3.630598     -2.680813
  H      -0.788780      2.642636     -1.198447
  H      -1.397729      1.055403      0.580034
  H      -4.880481      0.396167      5.045025
  H      -4.370467     -1.118233      5.792786
  H      -6.416010     -0.463718      6.831622
  H      -5.133154     -0.229059      8.055112
  H      -6.144799      5.594434      9.176670
  H      -9.284580      7.427123      6.408904
  H     -10.829482      6.538062      4.649770
  H     -10.816725      4.107251      4.101041
  H      -9.264991      2.565580      5.247210
  N      -3.014186      2.071026      3.399281
  N      -3.221044      3.109083      2.476504
  H      -3.206474      4.075216      2.894875
  H      -2.544283      3.083130      1.687543
  H      -4.152600      2.998933      2.038219
100
Coordinates from ORCA-job orca E -6707.558969703570
  N      -2.162510      3.547646      5.839856
  Mo     -2.209523      1.738459      5.037224
  N      -3.187456      0.577584      6.246674
  C      -2.480003      0.004731      7.402816
  C      -1.561804      1.044437      8.020734
  N      -0.686638      1.629231      6.977250
  C      -0.251061      3.017300      7.271650
  C      -0.814292      3.967978      6.192648
  C       0.444645      0.750729      6.597356
  C       0.624724      0.893085      5.085946
  N      -0.659992      0.621549      4.460254
  H      -0.171882      3.945124      5.299369
  H      -0.804728      5.010129      6.558439
  H       0.846565      3.076876      7.286655
  H      -0.605572      3.308718      8.270123
  H       1.403697      0.206094      4.712841
  H       0.956315      1.914611      4.839660
  H       0.174869     -0.289007      6.829904
  H       1.353312      1.000746      7.170199
  H      -3.186421     -0.339479      8.173721
  H      -1.913718     -0.888849      7.079976
  H      -2.181814      1.854426      8.426237
  H      -0.972713      0.615149      8.850182
  C      -3.187616      4.033518      6.773224
  C      -3.858729      5.352124      6.401023
  O      -5.004294      5.082843      5.534522
  C      -4.807307      5.112621      4.226337
  O      -3.792946      5.540101      3.673056
  C      -5.924968      4.454500      3.460853
  N      -6.341000      3.298392      3.960851
  C      -7.249003      2.604872      3.222210
  N      -7.762936      2.958505      2.061087
  C      -7.348797      4.148128      1.538160
  C      -7.864134      4.572077      0.288856
  C      -7.448407      5.768054     -0.254545
  C      -6.508708      6.585657      0.421104
  C      -5.983109      6.200776      1.636272
  C      -6.390004      4.973212      2.218738
  C      -0.946643     -0.798016      4.215106
  C      -0.972362     -1.243555      2.756779
  O      -1.877140     -0.507023      1.895210
  C      -3.192355     -0.514231      2.206045
  O      -3.672099     -1.115336      3.144457
  C      -4.030056      0.249832      1.190954
  N      -5.330995      0.031706      1.330979
  C      -6.173302      0.646428      0.468416
  N      -5.851005      1.463173     -0.519157
  C      -4.521561      1.721469     -0.675941
  C      -4.135793      2.634217     -1.692163
  C      -2.810912      2.963376     -1.866463
  C      -1.822108      2.387283     -1.033576
  C      -2.161225      1.484835     -0.044499
  C      -3.521987      1.121190      0.167910
  C      -4.485919     -0.030162      5.942615
  C      -5.530809      0.115032      7.042349
  O      -5.882325      1.498455      7.284185
  C      -7.056760      1.920646      6.764043
  O      -7.804811      1.217004      6.108101
  C      -7.328749      3.363099      7.128907
  N      -6.550416      3.882130      8.069570
  C      -6.737999      5.186953      8.380215
  N      -7.560900      6.036209      7.797568
  C      -8.375065      5.522099      6.831122
  C      -9.271915      6.397165      6.170120
  C     -10.129905      5.908670      5.209718
  C     -10.132469      4.530363      4.887505
  C      -9.266770      3.653177      5.506883
  C      -8.346173      4.127951      6.478624
  H      -2.730346      4.179626      7.770163
  H      -3.978591      3.280000      6.905050
  H      -3.176540      6.055141      5.907336
  H      -4.306085      5.813106      7.289247
  H      -7.576957      1.657531      3.656579
  H      -8.582816      3.925025     -0.214579
  H      -7.845574      6.093798     -1.217200
  H      -6.199132      7.529903     -0.028933
  H      -5.250387      6.822926      2.149025
  H      -1.896967     -1.092221      4.681848
  H      -0.162296     -1.412245      4.694323
  H      -1.241285     -2.310871      2.715658
  H       0.006393     -1.097854      2.282167
  H      -7.237557      0.450657      0.620560
  H      -4.924538      3.061356     -2.312629
  H      -2.518898      3.668555     -2.646091
  H      -0.773765      2.654078     -1.176870
  H      -1.388872      1.046750      0.580716
  H      -4.863071      0.406576      5.009665
  H      -4.363720     -1.113275      5.756444
  H      -6.428585     -0.453375      6.768411
  H      -5.157094     -0.247864      8.008451
  H      -6.110385      5.577268      9.188017
  H      -9.261831      7.449200      6.457283
  H     -10.822828      6.581755      4.702219
  H     -10.830609      4.155538      4.137499
  H      -9.282144      2.594508      5.265321
  N      -3.051193      2.040791      3.408246
  N      -3.225498      3.091925      2.489190
  H      -3.208825      4.057114      2.909151
  H      -2.545015      3.070607      1.702965
  H      -4.152267      2.996399      2.038537
100
Coordinates from ORCA-job orca E -6707.560821397314
  N      -2.176306      3.548407      5.826236
  Mo     -2.211550      1.735857      5.035259
  N      -3.187566      0.572313      6.234493
  C      -2.492094     -0.001521      7.397313
  C      -1.580833      1.037441      8.024332
  N      -0.703967      1.631206      6.988601
  C      -0.282593      3.022291      7.288231
  C      -0.830234      3.967113      6.196770
  C       0.434809      0.763005      6.610102
  C       0.630757      0.915838      5.101063
  N      -0.644588      0.646258      4.454411
  H      -0.176095      3.939736      5.312074
  H      -0.824763      5.011650      6.555358
  H       0.814299      3.089546      7.326013
  H      -0.659772      3.313491      8.278356
  H       1.416020      0.232399      4.734502
  H       0.964607      1.938749      4.864712
  H       0.168531     -0.279707      6.833330
  H       1.338109      1.013588      7.191400
  H      -3.208476     -0.344911      8.159130
  H      -1.923367     -0.895490      7.079876
  H      -2.206389      1.843526      8.429248
  H      -0.994851      0.606924      8.855390
  C      -3.209848      4.037791      6.750749
  C      -3.876722      5.357272      6.371551
  O      -5.026277      5.087206      5.510483
  C      -4.832720      5.108297      4.202151
  O      -3.815891      5.525883      3.644498
  C      -5.953325      4.450115      3.441685
  N      -6.376279      3.300700      3.950757
  C      -7.283493      2.604270      3.213535
  N      -7.792868      2.950503      2.048628
  C      -7.372313      4.134682      1.516915
  C      -7.882092      4.550151      0.262926
  C      -7.457803      5.738969     -0.290160
  C      -6.514600      6.556357      0.380557
  C      -5.994729      6.178830      1.600543
  C      -6.411063      4.959711      2.193011
  C      -0.931087     -0.775426      4.210546
  C      -0.944384     -1.227298      2.755031
  O      -1.854164     -0.498774      1.893722
  C      -3.173603     -0.546907      2.184801
  O      -3.649876     -1.186441      3.099210
  C      -4.013929      0.228127      1.180928
  N      -5.313872      0.003217      1.316365
  C      -6.157278      0.627448      0.461674
  N      -5.836616      1.459786     -0.513091
  C      -4.507511      1.722939     -0.666348
  C      -4.123568      2.649876     -1.670611
  C      -2.799191      2.981587     -1.842622
  C      -1.808753      2.394178     -1.019544
  C      -2.145947      1.479011     -0.041759
  C      -3.506857      1.112929      0.168657
  C      -4.482254     -0.037444      5.913677
  C      -5.536166      0.104079      7.003639
  O      -5.872027      1.489979      7.254056
  C      -7.059351      1.920611      6.770858
  O      -7.833455      1.223713      6.138353
  C      -7.310745      3.363343      7.146302
  N      -6.519459      3.865149      8.085714
  C      -6.692367      5.169369      8.410241
  N      -7.511232      6.031476      7.842262
  C      -8.337098      5.535317      6.875858
  C      -9.229347      6.425868      6.229964
  C     -10.098439      5.955266      5.270349
  C     -10.116707      4.580454      4.934627
  C      -9.256317      3.688321      5.539858
  C      -8.324894      4.144650      6.510004
  H      -2.760365      4.184513      7.750986
  H      -4.001048      3.283902      6.876625
  H      -3.192360      6.053274      5.871244
  H      -4.319271      5.826962      7.257488
  H      -7.614436      1.659365      3.650934
  H      -8.602991      3.902896     -0.236979
  H      -7.850246      6.058614     -1.256776
  H      -6.197922      7.494372     -0.077493
  H      -5.258939      6.799937      2.110059
  H      -1.887408     -1.067268      4.667178
  H      -0.154768     -1.389398      4.702483
  H      -1.203759     -2.296978      2.717940
  H       0.034441     -1.073216      2.283292
  H      -7.221284      0.426446      0.608635
  H      -4.914183      3.083949     -2.283860
  H      -2.508427      3.697113     -2.613257
  H      -0.760275      2.661741     -1.160428
  H      -1.373893      1.033062      0.577606
  H      -4.849130      0.404161      4.979209
  H      -4.355297     -1.119547      5.724677
  H      -6.437720     -0.450532      6.714400
  H      -5.176074     -0.275409      7.968807
  H      -6.056270      5.544443      9.218652
  H      -9.207395      7.474988      6.526865
  H     -10.787811      6.640120      4.773940
  H     -10.823823      4.220577      4.185651
  H      -9.283311      2.632297      5.288142
  N      -3.093288      2.004375      3.418675
  N      -3.232580      3.066693      2.498914
  H      -3.215519      4.029840      2.922684
  H      -2.544830      3.050144      1.718609
  H      -4.152755      2.984922      2.033156
100
Coordinates from ORCA-job orca E -6707.562561227851
  N      -2.178848      3.549184      5.816031
  Mo     -2.211432      1.734529      5.033060
  N      -3.188701      0.571964      6.224014
  C      -2.503669     -0.003966      7.391935
  C      -1.592227      1.030524      8.025612
  N      -0.710941      1.629349      6.997918
  C      -0.298979      3.021975      7.299985
  C      -0.832855      3.962857      6.198369
  C       0.429676      0.766983      6.617139
  C       0.637080      0.929650      5.110190
  N      -0.631889      0.667159      4.446382
  H      -0.170979      3.929031      5.319517
  H      -0.826592      5.009526      6.550350
  H       0.797054      3.093967      7.357153
  H      -0.694864      3.314482      8.282408
  H       1.424835      0.247474      4.746674
  H       0.975447      1.952941      4.882871
  H       0.163465     -0.277712      6.831293
  H       1.330876      1.013653      7.203796
  H      -3.229099     -0.341749      8.147572
  H      -1.937766     -0.901733      7.079803
  H      -2.218170      1.835782      8.431893
  H      -1.011530      0.593903      8.857534
  C      -3.215791      4.044918      6.734263
  C      -3.873963      5.368786      6.352895
  O      -5.028003      5.099760      5.496770
  C      -4.839470      5.114694      4.187915
  O      -3.824429      5.531342      3.625276
  C      -5.960007      4.449116      3.432831
  N      -6.383854      3.305405      3.953709
  C      -7.288605      2.599846      3.221670
  N      -7.797381      2.934122      2.053147
  C      -7.376477      4.113706      1.509491
  C      -7.885973      4.515190      0.251448
  C      -7.460009      5.697529     -0.315086
  C      -6.515403      6.520342      0.346557
  C      -5.996412      6.155769      1.570972
  C      -6.415098      4.944668      2.177442
  C      -0.921620     -0.756371      4.204540
  C      -0.924352     -1.215217      2.752425
  O      -1.838680     -0.493007      1.891501
  C      -3.160607     -0.575552      2.164211
  O      -3.633735     -1.247387      3.056586
  C      -4.003272      0.211850      1.172362
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  C      -6.148180      0.619832      0.463004
  N      -5.829776      1.468522     -0.497563
  C      -4.500824      1.733375     -0.651542
  C      -4.120419      2.674521     -1.643716
  C      -2.796101      3.005085     -1.818169
  C      -1.802795      2.402246     -1.010116
  C      -2.136348      1.474173     -0.043328
  C      -3.497742      1.109625      0.169967
  C      -4.480689     -0.037354      5.886181
  C      -5.548881      0.102761      6.960757
  O      -5.871342      1.491028      7.216288
  C      -7.069981      1.926775      6.767131
  O      -7.865006      1.234281      6.156225
  C      -7.307003      3.368744      7.152712
  N      -6.505582      3.859092      8.089843
  C      -6.670690      5.162209      8.426159
  N      -7.491034      6.031356      7.872099
  C      -8.326367      5.546619      6.907767
  C      -9.220310      6.445985      6.276770
  C     -10.097859      5.986443      5.319209
  C     -10.122351      4.614919      4.971090
  C      -9.260783      3.714662      5.562263
  C      -8.321913      4.159583      6.530020
  H      -2.770379      4.188094      7.736675
  H      -4.011182      3.295031      6.855466
  H      -3.186165      6.057622      5.847705
  H      -4.309621      5.845776      7.238089
  H      -7.617038      1.656745      3.665224
  H      -8.607449      3.863488     -0.241646
  H      -7.851604      6.007143     -1.285243
  H      -6.196918      7.452356     -0.122340
  H      -5.258951      6.780794      2.073181
  H      -1.883760     -1.044416      4.652140
  H      -0.153831     -1.370790      4.708778
  H      -1.177164     -2.286446      2.719726
  H       0.054230     -1.055796      2.281960
  H      -7.211657      0.412906      0.606143
  H      -4.914010      3.118502     -2.245899
  H      -2.507235      3.730998     -2.579731
  H      -0.754217      2.668058     -1.153634
  H      -1.362949      1.017458      0.565519
  H      -4.833465      0.409393      4.948730
  H      -4.350738     -1.118840      5.695906
  H      -6.451815     -0.438366      6.650560
  H      -5.210519     -0.291211      7.928159
  H      -6.026138      5.527757      9.232068
  H      -9.193293      7.492465      6.582265
  H     -10.788635      6.677702      4.833847
  H     -10.836181      4.264448      4.223967
  H      -9.292321      2.660943      5.301019
  N      -3.136316      1.971383      3.433579
  N      -3.233052      3.045321      2.511431
  H      -3.211276      4.005360      2.940577
  H      -2.538060      3.028090      1.737491
  H      -4.146561      2.980313      2.031103
100
Coordinates from ORCA-job orca E -6707.564076175619
  N      -2.192284      3.551845      5.809893
  Mo     -2.214731      1.733102      5.032667
  N      -3.190736      0.566749      6.216483
  C      -2.514485     -0.007607      7.389354
  C      -1.605312      1.026252      8.028836
  N      -0.721614      1.632328      7.008821
  C      -0.323243      3.027964      7.313408
  C      -0.848057      3.963604      6.203379
  C       0.423190      0.778551      6.626505
  C       0.641430      0.951449      5.122088
  N      -0.620600      0.691952      4.441217
  H      -0.179021      3.924912      5.329904
  H      -0.842556      5.012135      6.549893
  H       0.771293      3.108036      7.389699
  H      -0.738157      3.319989      8.288119
  H       1.433598      0.273524      4.760388
  H       0.979858      1.976527      4.903588
  H       0.160383     -0.268996      6.831382
  H       1.321307      1.023678      7.218953
  H      -3.247088     -0.340490      8.140364
  H      -1.949219     -0.908223      7.083641
  H      -2.233698      1.828718      8.437059
  H      -1.028784      0.584920      8.861515
  C      -3.236785      4.050529      6.717280
  C      -3.888691      5.375476      6.326756
  O      -5.044827      5.106552      5.472652
  C      -4.855795      5.112173      4.163658
  O      -3.837253      5.517008      3.599135
  C      -5.981393      4.450976      3.411010
  N      -6.418730      3.316453      3.939891
  C      -7.325142      2.611857      3.209448
  N      -7.827326      2.941337      2.036272
  C      -7.393676      4.113213      1.485011
  C      -7.896028      4.508586      0.222601
  C      -7.455942      5.681705     -0.353234
  C      -6.504076      6.499400      0.304047
  C      -5.992285      6.139955      1.533183
  C      -6.425872      4.939201      2.149225
  C      -0.905735     -0.734995      4.200555
  C      -0.891807     -1.198772      2.751933
  O      -1.814019     -0.486516      1.890976
  C      -3.136716     -0.608412      2.144837
  O      -3.603340     -1.310395      3.016479
  C      -3.985318      0.185902      1.162865
  N      -5.282769     -0.049101      1.297681
  C      -6.134035      0.597707      0.465975
  N      -5.820628      1.462238     -0.480850
  C      -4.492706      1.730996     -0.638026
  C      -4.119386      2.686242     -1.618782
  C      -2.795636      3.017659     -1.797809
  C      -1.797706      2.401509     -1.006170
  C      -2.124308      1.460395     -0.049214
  C      -3.485041      1.095921      0.168815
  C      -4.477301     -0.047472      5.863815
  C      -5.557685      0.091897      6.924995
  O      -5.869136      1.482535      7.182680
  C      -7.078587      1.923594      6.770422
  O      -7.895366      1.236768      6.182314
  C      -7.296082      3.365700      7.166788
  N      -6.481628      3.841044      8.100379
  C      -6.633255      5.142546      8.450334
  N      -7.452686      6.022696      7.912442
  C      -8.300182      5.553484      6.951098
  C      -9.193648      6.465621      6.337660
  C     -10.083213      6.021830      5.383721
  C     -10.119963      4.654158      5.021656
  C      -9.259500      3.742114      5.595944
  C      -8.309371      4.170439      6.559959
  H      -2.800482      4.194269      7.723509
  H      -4.035636      3.303680      6.833910
  H      -3.197126      6.056667      5.816382
  H      -4.321025      5.862533      7.207970
  H      -7.660682      1.673330      3.657226
  H      -8.622939      3.860514     -0.267138
  H      -7.841503      5.987355     -1.327013
  H      -6.173918      7.423826     -0.171796
  H      -5.249359      6.761615      2.031284
  H      -1.873462     -1.024412      4.635981
  H      -0.144809     -1.345858      4.719063
  H      -1.132243     -2.272731      2.719716
  H       0.085973     -1.028242      2.283628
  H      -7.196173      0.384112      0.609841
  H      -4.917124      3.138861     -2.208876
  H      -2.510641      3.753905     -2.550837
  H      -0.750171      2.668361     -1.155586
  H      -1.346306      0.995702      0.546871
  H      -4.819418      0.400861      4.922765
  H      -4.342239     -1.128441      5.674261
  H      -6.460969     -0.437843      6.596224
  H      -5.240127     -0.313009      7.895158
  H      -5.978792      5.495385      9.253786
  H      -9.156610      7.508783      6.653190
  H     -10.773724      6.722605      4.911841
  H     -10.843115      4.316298      4.277660
  H      -9.300963      2.691435      5.323731
  N      -3.179482      1.936363      3.450208
  N      -3.232367      3.018793      2.520240
  H      -3.205343      3.974733      2.955264
  H      -2.527868      2.997727      1.754897
  H      -4.138031      2.969368      2.023893
100
Coordinates from ORCA-job orca E -6707.565283165211
  N      -2.197722      3.554555      5.806617
  Mo     -2.216193      1.733033      5.032385
  N      -3.193804      0.564537      6.211523
  C      -2.525614     -0.009800      7.387933
  C      -1.612944      1.020092      8.030044
  N      -0.726362      1.630332      7.015450
  C      -0.336358      3.027729      7.321899
  C      -0.853226      3.961015      6.206255
  C       0.418848      0.781210      6.629579
  C       0.644040      0.963790      5.127630
  N      -0.613946      0.710151      4.434707
  H      -0.180574      3.916654      5.335608
  H      -0.844005      5.010698      6.549282
  H       0.756817      3.112693      7.414066
  H      -0.766179      3.319330      8.290295
  H       1.437580      0.288394      4.764593
  H       0.983713      1.990060      4.917119
  H       0.156666     -0.268237      6.825937
  H       1.316099      1.021595      7.225682
  H      -3.263818     -0.334323      8.137442
  H      -1.965375     -0.915752      7.088251
  H      -2.239802      1.821676      8.442367
  H      -1.040048      0.571653      8.861705
  C      -3.245538      4.054487      6.707389
  C      -3.892195      5.381606      6.315017
  O      -5.049934      5.111955      5.462533
  C      -4.861575      5.112974      4.152577
  O      -3.844030      5.515627      3.586193
  C      -5.988598      4.448893      3.402989
  N      -6.432548      3.321367      3.941413
  C      -7.338017      2.611616      3.215266
  N      -7.836233      2.931441      2.037297
  C      -7.397401      4.096932      1.476718
  C      -7.896657      4.481434      0.209746
  C      -7.451289      5.647027     -0.377293
  C      -6.497184      6.467270      0.273370
  C      -5.988479      6.118720      1.506970
  C      -6.427614      4.925848      2.134974
  C      -0.895790     -0.719426      4.195514
  C      -0.863371     -1.185062      2.749435
  O      -1.790626     -0.478764      1.888732
  C      -3.112817     -0.633693      2.125247
  O      -3.574040     -1.360449      2.979038
  C      -3.967804      0.166561      1.152433
  N      -5.263269     -0.074632      1.291462
  C      -6.122233      0.581949      0.474635
  N      -5.816792      1.463722     -0.457843
  C      -4.490529      1.736532     -0.622044
  C      -4.127893      2.706888     -1.591298
  C      -2.805369      3.039101     -1.780045
  C      -1.800118      2.408205     -1.010124
  C      -2.116506      1.453387     -0.062968
  C      -3.475331      1.088828      0.165566
  C      -4.475979     -0.050831      5.844621
  C      -5.572213      0.093077      6.888102
  O      -5.871018      1.487040      7.144194
  C      -7.088951      1.931851      6.763610
  O      -7.922227      1.249079      6.194556
  C      -7.293683      3.373513      7.170689
  N      -6.473745      3.837227      8.105201
  C      -6.619711      5.135567      8.468864
  N      -7.440259      6.023242      7.944302
  C      -8.292853      5.565914      6.982063
  C      -9.188416      6.486037      6.383188
  C     -10.082751      6.054099      5.428411
  C     -10.122016      4.690733      5.050147
  C      -9.259931      3.771605      5.610339
  C      -8.306008      4.187454      6.575743
  H      -2.815287      4.193612      7.716813
  H      -4.049001      3.311722      6.818682
  H      -3.198972      6.058972      5.801719
  H      -4.321230      5.873793      7.194817
  H      -7.674538      1.676498      3.669728
  H      -8.625318      3.831431     -0.274688
  H      -7.834324      5.944536     -1.354550
  H      -6.162428      7.385714     -0.210800
  H      -5.244062      6.743591      1.998686
  H      -1.869747     -1.008403      4.617647
  H      -0.143097     -1.328220      4.728095
  H      -1.093403     -2.261097      2.714336
  H       0.114523     -1.004220      2.285286
  H      -7.182191      0.358860      0.620476
  H      -4.931577      3.169353     -2.165402
  H      -2.527063      3.786443     -2.524542
  H      -0.754332      2.675946     -1.170034
  H      -1.331133      0.980292      0.515871
  H      -4.804641      0.397377      4.898373
  H      -4.339127     -1.132273      5.659233
  H      -6.474979     -0.424162      6.537779
  H      -5.281114     -0.320917      7.862936
  H      -5.960281      5.478987      9.272196
  H      -9.148602      7.525447      6.710465
  H     -10.774860      6.760860      4.967957
  H     -10.848609      4.362055      4.305418
  H      -9.304028      2.724256      5.325359
  N      -3.217648      1.909337      3.468333
  N      -3.224889      2.998148      2.528625
  H      -3.189113      3.948050      2.971335
  H      -2.510168      2.969520      1.773307
  H      -4.122782      2.966665      2.018059
100
Coordinates from ORCA-job orca E -6707.566206530247
  N      -2.205698      3.557765      5.806496
  Mo     -2.219470      1.733582      5.035562
  N      -3.198649      0.560841      6.210883
  C      -2.537441     -0.011733      7.390673
  C      -1.621263      1.016846      8.036077
  N      -0.733249      1.630940      7.025760
  C      -0.351047      3.030400      7.331607
  C      -0.860462      3.958921      6.210364
  C       0.412619      0.785080      6.637463
  C       0.643961      0.976652      5.137830
  N      -0.610386      0.725625      4.433525
  H      -0.184915      3.906021      5.342312
  H      -0.846301      5.010553      6.547544
  H       0.740673      3.120110      7.437695
  H      -0.793825      3.322902      8.293838
  H       1.439851      0.305130      4.772987
  H       0.983011      2.004668      4.935088
  H       0.150532     -0.265877      6.826210
  H       1.308822      1.021011      7.237352
  H      -3.279908     -0.328081      8.139886
  H      -1.981827     -0.922810      7.097441
  H      -2.246535      1.816764      8.453904
  H      -1.050429      0.561846      8.865673
  C      -3.259426      4.062454      6.695061
  C      -3.901457      5.388543      6.290855
  O      -5.060270      5.119426      5.439579
  C      -4.867659      5.110538      4.129156
  O      -3.846389      5.501280      3.563415
  C      -5.999800      4.453393      3.380695
  N      -6.461224      3.336771      3.926778
  C      -7.370469      2.631221      3.202529
  N      -7.859661      2.946543      2.019123
  C      -7.404749      4.101627      1.451500
  C      -7.894883      4.481789      0.179247
  C      -7.433643      5.636656     -0.415833
  C      -6.472379      6.451147      0.231718
  C      -5.972277      6.107481      1.470127
  C      -6.427255      4.924552      2.106622
  C      -0.883820     -0.706330      4.190301
  C      -0.828047     -1.167961      2.745082
  O      -1.761477     -0.468439      1.884537
  C      -3.081831     -0.657796      2.105740
  O      -3.535157     -1.405497      2.945091
  C      -3.947259      0.143801      1.140923
  N      -5.240500     -0.104347      1.287142
  C      -6.108926      0.559895      0.486119
  N      -5.814010      1.457756     -0.434016
  C      -4.490112      1.735162     -0.607448
  C      -4.138951      2.720117     -1.565687
  C      -2.818109      3.053319     -1.765823
  C      -1.804495      2.408165     -1.019303
  C      -2.109845      1.440235     -0.081492
  C      -3.466062      1.076556      0.160070
  C      -4.474380     -0.060303      5.832718
  C      -5.582655      0.088915      6.862605
  O      -5.873626      1.485416      7.115226
  C      -7.103244      1.929283      6.774208
  O      -7.955364      1.247553      6.232629
  C      -7.293139      3.371839      7.187191
  N      -6.461624      3.826884      8.115419
  C      -6.597118      5.123613      8.487002
  N      -7.419981      6.018089      7.976304
  C      -8.283767      5.569706      7.020175
  C      -9.182399      6.496353      6.435518
  C     -10.086990      6.073395      5.486687
  C     -10.133807      4.712664      5.099109
  C      -9.269318      3.787574      5.645411
  C      -8.306030      4.193794      6.605553
  H      -2.839165      4.203249      7.708359
  H      -4.066469      3.322783      6.802529
  H      -3.205874      6.059402      5.771920
  H      -4.329130      5.890043      7.166177
  H      -7.719387      1.704144      3.664076
  H      -8.629624      3.836508     -0.302302
  H      -7.809874      5.930449     -1.396875
  H      -6.125084      7.362002     -0.257984
  H      -5.223753      6.729701      1.958785
  H      -1.864072     -0.998877      4.594861
  H      -0.139167     -1.312711      4.736576
  H      -1.043228     -2.246685      2.701496
  H       0.150163     -0.970842      2.288388
  H      -7.166408      0.328991      0.637983
  H      -4.948508      3.192580     -2.123126
  H      -2.547757      3.811505     -2.502211
  H      -0.760895      2.676649     -1.191881
  H      -1.315834      0.958043      0.477688
  H      -4.793684      0.381701      4.880021
  H      -4.333361     -1.142753      5.655661
  H      -6.484690     -0.419861      6.498089
  H      -5.309447     -0.330244      7.840706
  H      -5.927557      5.460648      9.284610
  H      -9.135522      7.533467      6.769140
  H     -10.781389      6.785282      5.037650
  H     -10.867985      4.390899      4.358869
  H      -9.320290      2.742327      5.353643
  N      -3.248600      1.886276      3.485807
  N      -3.213448      2.976868      2.533838
  H      -3.166158      3.922324      2.980506
  H      -2.489960      2.933945      1.787842
  H      -4.104091      2.961414      2.010240
100
Coordinates from ORCA-job orca E -6707.566991989886
  N      -2.217685      3.559657      5.810074
  Mo     -2.225964      1.734784      5.040670
  N      -3.204946      0.554344      6.211368
  C      -2.550991     -0.019184      7.393046
  C      -1.633113      1.006897      8.039986
  N      -0.746686      1.626534      7.030774
  C      -0.369975      3.027273      7.341773
  C      -0.872014      3.955565      6.217943
  C       0.401333      0.784864      6.641159
  C       0.637414      0.986212      5.144165
  N      -0.614391      0.736029      4.433830
  H      -0.194794      3.898523      5.351401
  H      -0.853328      5.007627      6.553695
  H       0.720257      3.120451      7.461191
  H      -0.824540      3.316439      8.299481
  H       1.435486      0.318872      4.776816
  H       0.974316      2.016259      4.948809
  H       0.140054     -0.267522      6.823053
  H       1.295578      1.017612      7.245270
  H      -3.296734     -0.329690      8.141890
  H      -1.999095     -0.933982      7.104393
  H      -2.258218      1.803874      8.463382
  H      -1.060350      0.548095      8.865977
  C      -3.276358      4.061081      6.692083
  C      -3.917303      5.386898      6.286413
  O      -5.073472      5.112395      5.433264
  C      -4.879791      5.103239      4.121328
  O      -3.861394      5.498478      3.555598
  C      -6.010718      4.439519      3.376553
  N      -6.475346      3.328689      3.933109
  C      -7.384751      2.617056      3.215723
  N      -7.870744      2.919805      2.027662
  C      -7.414160      4.068092      1.449598
  C      -7.902511      4.435704      0.172210
  C      -7.441802      5.584262     -0.433923
  C      -6.482779      6.406830      0.206940
  C      -5.983786      6.076755      1.449287
  C      -6.437154      4.898714      2.097425
  C      -0.877668     -0.696669      4.186135
  C      -0.795723     -1.147667      2.739622
  O      -1.730105     -0.448481      1.879730
  C      -3.047992     -0.666919      2.085029
  O      -3.495352     -1.434139      2.910292
  C      -3.922499      0.133777      1.127096
  N      -5.212563     -0.125572      1.280326
  C      -6.091917      0.541301      0.494874
  N      -5.811347      1.457788     -0.411738
  C      -4.491049      1.745027     -0.593669
  C      -4.155262      2.746856     -1.539801
  C      -2.837815      3.086028     -1.753114
  C      -1.812815      2.429180     -1.032669
  C      -2.103692      1.446768     -0.105424
  C      -3.455123      1.078109      0.151718
  C      -4.474868     -0.067159      5.819524
  C      -5.597719      0.090417      6.832500
  O      -5.871578      1.491144      7.082166
  C      -7.107742      1.940275      6.772512
  O      -7.976110      1.263574      6.251308
  C      -7.283188      3.383429      7.192287
  N      -6.452451      3.823856      8.128122
  C      -6.580427      5.117041      8.512105
  N      -7.396047      6.022568      8.007908
  C      -8.257842      5.589774      7.043192
  C      -9.149075      6.527517      6.464431
  C     -10.050952      6.120449      5.506507
  C     -10.102708      4.764571      5.102127
  C      -9.246016      3.828978      5.642731
  C      -8.286395      4.218467      6.613344
  H      -2.865004      4.195989      7.709889
  H      -4.085382      3.322211      6.790265
  H      -3.222418      6.058519      5.767412
  H      -4.346811      5.889472      7.160057
  H      -7.733728      1.694235      3.686201
  H      -8.636324      3.784715     -0.303050
  H      -7.817409      5.867484     -1.418343
  H      -6.136244      7.313784     -0.290495
  H      -5.238319      6.707239      1.932072
  H      -1.864627     -0.991953      4.571315
  H      -0.141948     -1.302327      4.744905
  H      -0.997130     -2.228314      2.682006
  H       0.184494     -0.933133      2.295513
  H      -7.145705      0.295964      0.648833
  H      -4.972752      3.226978     -2.078804
  H      -2.579268      3.856643     -2.480750
  H      -0.772337      2.701055     -1.218196
  H      -1.299282      0.958207      0.433042
  H      -4.782035      0.370696      4.860952
  H      -4.334358     -1.151059      5.650635
  H      -6.500145     -0.404677      6.450270
  H      -5.346748     -0.336625      7.813434
  H      -5.913100      5.442179      9.316564
  H      -9.097479      7.560385      6.810392
  H     -10.739299      6.841273      5.062404
  H     -10.833884      4.454991      4.353845
  H      -9.301296      2.787582      5.337993
  N      -3.271032      1.877154      3.499571
  N      -3.200613      2.966309      2.537238
  H      -3.141901      3.905738      2.990460
  H      -2.465307      2.911396      1.804352
  H      -4.083879      2.969761      2.002244
100
Coordinates from ORCA-job orca E -6707.567820788907
  N      -2.207347      3.558922      5.814372
  Mo     -2.222930      1.735283      5.047577
  N      -3.212409      0.558077      6.216797
  C      -2.565538     -0.016329      7.400983
  C      -1.636185      1.002307      8.049230
  N      -0.746572      1.618759      7.041145
  C      -0.366338      3.018655      7.349561
  C      -0.857964      3.944267      6.221956
  C       0.397453      0.771934      6.649887
  C       0.636867      0.980075      5.154892
  N      -0.614342      0.733025      4.438539
  H      -0.180921      3.874663      5.356346
  H      -0.828851      4.998548      6.550410
  H       0.723421      3.108643      7.476865
  H      -0.826333      3.311941      8.303384
  H       1.435021      0.314647      4.784293
  H       0.975437      2.010732      4.966399
  H       0.129075     -0.279568      6.826226
  H       1.291936      0.996124      7.257217
  H      -3.314925     -0.314309      8.151731
  H      -2.024199     -0.939138      7.117764
  H      -2.253199      1.801567      8.480004
  H      -1.064947      0.534041      8.870863
  C      -3.267756      4.070054      6.686324
  C      -3.907069      5.393011      6.267970
  O      -5.065250      5.118275      5.418483
  C      -4.868851      5.100702      4.106094
  O      -3.849233      5.491053      3.540674
  C      -6.003101      4.440711      3.363836
  N      -6.476398      3.335996      3.925272
  C      -7.389857      2.628181      3.210701
  N      -7.872277      2.928137      2.020356
  C      -7.407341      4.069263      1.437627
  C      -7.891791      4.435321      0.157523
  C      -7.423808      5.577747     -0.452836
  C      -6.461068      6.398253      0.185772
  C      -5.965472      6.070835      1.429923
  C      -6.425387      4.897167      2.082361
  C      -0.867061     -0.698233      4.176033
  C      -0.761607     -1.132346      2.725987
  O      -1.699557     -0.436387      1.865134
  C      -3.014974     -0.678154      2.062135
  O      -3.455453     -1.454304      2.883074
  C      -3.902332      0.118397      1.110183
  N      -5.190140     -0.147927      1.275846
  C      -6.081232      0.522392      0.507898
  N      -5.815623      1.453119     -0.389785
  C      -4.499126      1.746149     -0.584480
  C      -4.176770      2.762506     -1.519967
  C      -2.862651      3.104277     -1.748589
  C      -1.826244      2.434323     -1.056555
  C      -2.103790      1.439435     -0.138767
  C      -3.451175      1.071216      0.137900
  C      -4.479888     -0.063841      5.820455
  C      -5.611426      0.106380      6.822904
  O      -5.881488      1.509363      7.063383
  C      -7.129825      1.948794      6.791463
  O      -8.011366      1.265741      6.301637
  C      -7.301077      3.392669      7.208823
  N      -6.463987      3.835497      8.137791
  C      -6.590731      5.128973      8.519574
  N      -7.412449      6.032636      8.020265
  C      -8.280547      5.596468      7.062837
  C      -9.178771      6.529997      6.487875
  C     -10.085053      6.118249      5.536281
  C     -10.134929      4.761663      5.133302
  C      -9.271694      3.829999      5.670010
  C      -8.308647      4.224509      6.635106
  H      -2.862341      4.209694      7.705745
  H      -4.077735      3.332091      6.784699
  H      -3.212423      6.059531      5.741926
  H      -4.335389      5.902754      7.138374
  H      -7.749264      1.713178      3.688488
  H      -8.629214      3.786285     -0.314953
  H      -7.796989      5.858619     -1.438912
  H      -6.109430      7.301876     -0.314156
  H      -5.219399      6.701637      1.911319
  H      -1.859162     -0.999690      4.541210
  H      -0.138530     -1.305608      4.742136
  H      -0.946284     -2.214838      2.651241
  H       0.219704     -0.896021      2.295789
  H      -7.132427      0.271178      0.671039
  H      -5.001002      3.252152     -2.039906
  H      -2.615837      3.886047     -2.468360
  H      -0.788729      2.705897     -1.258175
  H      -1.290024      0.939049      0.374877
  H      -4.779428      0.361311      4.853569
  H      -4.340379     -1.150451      5.666979
  H      -6.514206     -0.383804      6.435777
  H      -5.368364     -0.319949      7.806415
  H      -5.915913      5.458772      9.315863
  H      -9.127549      7.563546      6.832015
  H     -10.778690      6.836188      5.095659
  H     -10.869092      4.448536      4.389510
  H      -9.326392      2.787658      5.368126
  N      -3.274879      1.875740      3.511043
  N      -3.180412      2.956144      2.534949
  H      -3.105433      3.895193      2.985271
  H      -2.442070      2.875428      1.808152
  H      -4.060425      2.971936      1.994834
100
Coordinates from ORCA-job orca E -6707.568738485598
  N      -2.227147      3.562747      5.823961
  Mo     -2.238503      1.739614      5.062494
  N      -3.224602      0.547686      6.220807
  C      -2.582962     -0.029085      7.405128
  C      -1.660746      0.993378      8.060173
  N      -0.776405      1.619342      7.052418
  C      -0.399385      3.019591      7.369047
  C      -0.879927      3.945562      6.239667
  C       0.373585      0.776980      6.664516
  C       0.618026      0.992838      5.171711
  N      -0.630465      0.738434      4.451673
  H      -0.198651      3.874137      5.377716
  H      -0.850033      5.000314      6.566781
  H       0.688951      3.110769      7.507941
  H      -0.869161      3.308411      8.319328
  H       1.421448      0.333544      4.801484
  H       0.951516      2.026074      4.989240
  H       0.106088     -0.275580      6.835566
  H       1.262948      1.001643      7.278926
  H      -3.334718     -0.330365      8.152439
  H      -2.038112     -0.950064      7.122900
  H      -2.282958      1.786024      8.495539
  H      -1.083339      0.526329      8.877719
  C      -3.297790      4.073539      6.683599
  C      -3.937545      5.391857      6.252137
  O      -5.091525      5.108407      5.400746
  C      -4.892594      5.088857      4.087814
  O      -3.875470      5.486933      3.523664
  C      -6.021946      4.418233      3.348737
  N      -6.495792      3.318813      3.920691
  C      -7.410567      2.605966      3.213084
  N      -7.890953      2.893436      2.019083
  C      -7.425044      4.027496      1.425354
  C      -7.907248      4.381781      0.140415
  C      -7.440500      5.518815     -0.479573
  C      -6.481508      6.348235      0.153766
  C      -5.987859      6.033072      1.401661
  C      -6.444722      4.863162      2.063201
  C      -0.864434     -0.690079      4.172119
  C      -0.735459     -1.101414      2.716728
  O      -1.673120     -0.405298      1.855173
  C      -2.985338     -0.671574      2.040204
  O      -3.418958     -1.462334      2.851819
  C      -3.881164      0.119205      1.093045
  N      -5.166292     -0.159731      1.262292
  C      -6.065564      0.508617      0.505336
  N      -5.813415      1.456438     -0.380305
  C      -4.500681      1.760905     -0.578570
  C      -4.189392      2.793833     -1.500350
  C      -2.878893      3.143020     -1.737229
  C      -1.832546      2.463201     -1.069010
  C      -2.099446      1.454912     -0.163280
  C      -3.442837      1.081212      0.125803
  C      -4.484027     -0.078692      5.811544
  C      -5.622512      0.093131      6.806574
  O      -5.874978      1.498674      7.050592
  C      -7.127103      1.946735      6.809798
  O      -8.026743      1.272189      6.341702
  C      -7.277136      3.391548      7.228911
  N      -6.436568      3.816537      8.163298
  C      -6.544509      5.110083      8.549722
  N      -7.349617      6.029067      8.050918
  C      -8.219129      5.611561      7.086277
  C      -9.098183      6.561446      6.508690
  C     -10.003014      6.168606      5.547867
  C     -10.070705      4.815192      5.136603
  C      -9.226850      3.867400      5.675904
  C      -8.266798      4.242083      6.651906
  H      -2.905060      4.216690      7.707436
  H      -4.105246      3.331713      6.774195
  H      -3.242749      6.056086      5.723342
  H      -4.370632      5.907019      7.117267
  H      -7.774609      1.698143      3.701477
  H      -8.642802      3.726299     -0.326250
  H      -7.812616      5.789505     -1.468979
  H      -6.131867      7.248905     -0.352878
  H      -5.246604      6.671803      1.880127
  H      -1.860021     -1.001385      4.518416
  H      -0.139596     -1.298228      4.741855
  H      -0.902801     -2.185015      2.621706
  H       0.247357     -0.841287      2.304295
  H      -7.113978      0.245165      0.666656
  H      -5.019402      3.289815     -2.005068
  H      -2.642850      3.937188     -2.447045
  H      -0.797327      2.736758     -1.279258
  H      -1.278774      0.945171      0.330846
  H      -4.777798      0.341805      4.841069
  H      -4.342212     -1.166016      5.663683
  H      -6.528541     -0.384539      6.412141
  H      -5.385546     -0.343870      7.787151
  H      -5.868536      5.426460      9.350672
  H      -9.032613      7.592438      6.858265
  H     -10.681635      6.899723      5.105435
  H     -10.802668      4.517473      4.384362
  H      -9.295613      2.827415      5.369152
  N      -3.279957      1.888160      3.518293
  N      -3.170204      2.956197      2.533699
  H      -3.081795      3.895125      2.981302
  H      -2.422959      2.854536      1.819449
  H      -4.045090      2.986558      1.986363
100
Coordinates from ORCA-job orca E -6707.569618153053
  N      -2.217708      3.563406      5.828295
  Mo     -2.236795      1.740334      5.072262
  N      -3.229032      0.551152      6.225323
  C      -2.596107     -0.028144      7.413481
  C      -1.669854      0.985488      8.068212
  N      -0.784902      1.609782      7.059054
  C      -0.401505      3.007756      7.382864
  C      -0.869939      3.938063      6.251223
  C       0.365300      0.766423      6.672344
  C       0.614428      0.989121      5.181490
  N      -0.632554      0.733328      4.459989
  H      -0.185255      3.863557      5.392253
  H      -0.835768      4.993163      6.576619
  H       0.686442      3.092305      7.529655
  H      -0.876615      3.295689      8.330764
  H       1.419921      0.332001      4.811890
  H       0.948411      2.022713      5.003903
  H       0.093413     -0.285798      6.838404
  H       1.251770      0.987473      7.291911
  H      -3.353987     -0.323082      8.157239
  H      -2.056006     -0.952808      7.134521
  H      -2.288375      1.780414      8.504755
  H      -1.091304      0.515983      8.883364
  C      -3.288359      4.079199      6.686073
  C      -3.926236      5.395147      6.244965
  O      -5.076747      5.102741      5.393044
  C      -4.880926      5.079246      4.080188
  O      -3.866429      5.479978      3.511459
  C      -6.013089      4.405633      3.349017
  N      -6.479290      3.304862      3.924204
  C      -7.399372      2.591778      3.223696
  N      -7.889588      2.878256      2.033983
  C      -7.430631      4.013633      1.436463
  C      -7.923601      4.368158      0.155945
  C      -7.465063      5.507598     -0.466179
  C      -6.503992      6.339167      0.161265
  C      -5.999925      6.022915      1.404749
  C      -6.447363      4.850555      2.067298
  C      -0.854348     -0.691723      4.166207
  C      -0.710028     -1.083793      2.705889
  O      -1.649967     -0.392206      1.841750
  C      -2.959003     -0.676713      2.019365
  O      -3.384535     -1.475409      2.827005
  C      -3.862811      0.106936      1.077553
  N      -5.145705     -0.179510      1.255678
  C      -6.053864      0.488784      0.511454
  N      -5.814552      1.448655     -0.365494
  C      -4.505660      1.760861     -0.572403
  C      -4.207071      2.808024     -1.483214
  C      -2.900863      3.162093     -1.733614
  C      -1.843489      2.472262     -1.092670
  C      -2.097588      1.452677     -0.196727
  C      -3.437056      1.075912      0.110765
  C      -4.486571     -0.074656      5.809356
  C      -5.634446      0.106234      6.793130
  O      -5.886143      1.513197      7.031131
  C      -7.144765      1.956502      6.815159
  O      -8.053744      1.278728      6.370175
  C      -7.290472      3.401207      7.230896
  N      -6.452363      3.821436      8.170273
  C      -6.558545      5.116029      8.556775
  N      -7.357912      6.037409      8.054628
  C      -8.224287      5.624156      7.084923
  C      -9.096065      6.577370      6.502558
  C      -9.996064      6.187866      5.535548
  C     -10.066117      4.835028      5.123359
  C      -9.229603      3.883657      5.667805
  C      -8.274659      4.255385      6.649730
  H      -2.897362      4.227597      7.710032
  H      -4.093597      3.335520      6.777986
  H      -3.229657      6.054630      5.712992
  H      -4.361765      5.916469      7.105149
  H      -7.759182      1.682784      3.713618
  H      -8.660917      3.710685     -0.305106
  H      -7.845358      5.778603     -1.452386
  H      -6.162055      7.242133     -0.346501
  H      -5.258422      6.663552      1.880338
  H      -1.851645     -1.010623      4.500764
  H      -0.131411     -1.302335      4.735410
  H      -0.860157     -2.168334      2.596468
  H       0.272279     -0.801585      2.306878
  H      -7.100578      0.219626      0.674954
  H      -5.044671      3.309522     -1.969722
  H      -2.676571      3.966868     -2.435314
  H      -0.810702      2.744860     -1.315373
  H      -1.270933      0.931752      0.275392
  H      -4.769269      0.337250      4.832238
  H      -4.345898     -1.163907      5.674046
  H      -6.539907     -0.368882      6.394731
  H      -5.402998     -0.330065      7.775513
  H      -5.884961      5.429861      9.360631
  H      -9.029205      7.608152      6.852518
  H     -10.669144      6.921575      5.089027
  H     -10.794333      4.540808      4.366067
  H      -9.299834      2.843626      5.361616
  N      -3.267351      1.902351      3.523213
  N      -3.152217      2.951641      2.528130
  H      -3.047735      3.893312      2.966941
  H      -2.400494      2.822678      1.823667
  H      -4.024785      2.995507      1.977923
100
Coordinates from ORCA-job orca E -6707.570490477827
  N      -2.238195      3.564174      5.846860
  Mo     -2.249472      1.740611      5.090480
  N      -3.235419      0.539869      6.233909
  C      -2.604994     -0.040183      7.424332
  C      -1.686784      0.974381      8.085125
  N      -0.804936      1.611015      7.079872
  C      -0.432142      3.009711      7.415886
  C      -0.895794      3.944005      6.284509
  C       0.353477      0.778980      6.690652
  C       0.606090      1.012797      5.201518
  N      -0.636134      0.750314      4.473636
  H      -0.202843      3.877873      5.431513
  H      -0.870276      4.997958      6.614499
  H       0.653803      3.098826      7.573666
  H      -0.918518      3.289350      8.360410
  H       1.419351      0.365249      4.831844
  H       0.932850      2.049937      5.031645
  H       0.088090     -0.276305      6.848014
  H       1.235571      1.002407      7.315549
  H      -3.366435     -0.341121      8.161926
  H      -2.059154     -0.961442      7.144372
  H      -2.310911      1.763807      8.524038
  H      -1.105368      0.505433      8.898596
  C      -3.317410      4.079081      6.696462
  C      -3.956565      5.390301      6.242498
  O      -5.099472      5.088846      5.383556
  C      -4.898311      5.067145      4.072088
  O      -3.883799      5.474474      3.507599
  C      -6.024928      4.388859      3.335354
  N      -6.486421      3.283656      3.905183
  C      -7.401118      2.568222      3.199422
  N      -7.891575      2.857281      2.010502
  C      -7.437286      3.998136      1.418180
  C      -7.930867      4.355519      0.139400
  C      -7.477178      5.500619     -0.477039
  C      -6.520811      6.333593      0.155387
  C      -6.016604      6.013675      1.398065
  C      -6.459226      4.836392      2.054474
  C      -0.838083     -0.672901      4.154690
  C      -0.678728     -1.044361      2.688824
  O      -1.631671     -0.371380      1.822387
  C      -2.934066     -0.695380      1.985198
  O      -3.342137     -1.516850      2.779092
  C      -3.854216      0.081413      1.055145
  N      -5.132657     -0.221976      1.239833
  C      -6.054712      0.444779      0.511158
  N      -5.833131      1.421456     -0.351607
  C      -4.529634      1.749734     -0.566640
  C      -4.250984      2.813609     -1.464568
  C      -2.951065      3.180170     -1.728153
  C      -1.879923      2.486090     -1.115349
  C      -2.114291      1.452747     -0.229988
  C      -3.447097      1.064173      0.093587
  C      -4.490406     -0.089896      5.813362
  C      -5.643208      0.092736      6.790353
  O      -5.883250      1.500462      7.033579
  C      -7.139021      1.954852      6.829603
  O      -8.056445      1.288553      6.384446
  C      -7.267319      3.400065      7.246776
  N      -6.437499      3.804701      8.200442
  C      -6.530627      5.101170      8.587746
  N      -7.306901      6.035099      8.073811
  C      -8.163708      5.637091      7.088973
  C      -9.010048      6.604528      6.493072
  C      -9.899299      6.229532      5.510058
  C      -9.983693      4.878276      5.095719
  C      -9.172077      3.913285      5.653665
  C      -8.228531      4.270149      6.651731
  H      -2.933511      4.235279      7.721811
  H      -4.119296      3.331463      6.786682
  H      -3.256621      6.046861      5.711223
  H      -4.399521      5.917145      7.095511
  H      -7.758574      1.655683      3.684578
  H      -8.664465      3.696641     -0.325540
  H      -7.857473      5.774703     -1.462350
  H      -6.183161      7.240561     -0.348091
  H      -5.279024      6.655249      1.878378
  H      -1.831922     -1.011356      4.480167
  H      -0.109677     -1.282419      4.718198
  H      -0.799376     -2.131240      2.567382
  H       0.298363     -0.731992      2.299267
  H      -7.097587      0.160642      0.675831
  H      -5.099394      3.315316     -1.931730
  H      -2.742160      3.997171     -2.420426
  H      -0.851777      2.765473     -1.350643
  H      -1.278730      0.926357      0.220073
  H      -4.767083      0.320548      4.833705
  H      -4.347455     -1.179297      5.681937
  H      -6.550444     -0.372583      6.384062
  H      -5.421266     -0.351041      7.771646
  H      -5.865508      5.402435      9.403270
  H      -8.933687      7.634094      6.844548
  H     -10.552959      6.973961      5.052603
  H     -10.703690      4.596574      4.325858
  H      -9.253734      2.874072      5.346673
  N      -3.271580      1.908366      3.537390
  N      -3.158188      2.944345      2.535391
  H      -3.048319      3.889516      2.965771
  H      -2.403300      2.799428      1.837067
  H      -4.030504      2.991886      1.983645
100
Coordinates from ORCA-job orca E -6707.571239167100
  N      -2.210868      3.577139      5.853135
  Mo     -2.246320      1.749814      5.099196
  N      -3.246003      0.548876      6.226360
  C      -2.631350     -0.040653      7.421974
  C      -1.714978      0.967493      8.094904
  N      -0.821035      1.602384      7.097749
  C      -0.435438      2.996097      7.445157
  C      -0.870897      3.941289      6.310043
  C       0.332654      0.760211      6.713981
  C       0.600535      0.994885      5.226864
  N      -0.637790      0.749498      4.486879
  H      -0.166192      3.871283      5.467088
  H      -0.838608      4.993152      6.645860
  H       0.648945      3.070319      7.619193
  H      -0.933108      3.278569      8.382669
  H       1.410644      0.339451      4.864129
  H       0.940900      2.028778      5.062729
  H       0.054691     -0.293086      6.863995
  H       1.211322      0.971899      7.347626
  H      -3.403861     -0.341812      8.147526
  H      -2.087312     -0.963422      7.142461
  H      -2.338056      1.760482      8.529291
  H      -1.142361      0.494414      8.912196
  C      -3.288917      4.111138      6.695194
  C      -3.912048      5.422267      6.220493
  O      -5.062224      5.115518      5.372707
  C      -4.875212      5.070360      4.060345
  O      -3.864355      5.460185      3.477408
  C      -6.006470      4.369505      3.350124
  N      -6.456079      3.275676      3.950220
  C      -7.378419      2.541094      3.273123
  N      -7.888485      2.803697      2.086273
  C      -7.445985      3.933829      1.462443
  C      -7.961245      4.261616      0.185248
  C      -7.520464      5.395369     -0.462635
  C      -6.556790      6.243630      0.136858
  C      -6.032099      5.951464      1.378202
  C      -6.460954      4.787375      2.066078
  C      -0.851795     -0.667324      4.143647
  C      -0.683609     -1.025875      2.674661
  O      -1.632614     -0.352556      1.804414
  C      -2.934213     -0.692887      1.943892
  O      -3.343054     -1.535110      2.715898
  C      -3.849034      0.098377      1.022769
  N      -5.129924     -0.192098      1.207757
  C      -6.046629      0.493815      0.488899
  N      -5.814984      1.480303     -0.359156
  C      -4.507920      1.793632     -0.577157
  C      -4.220960      2.864720     -1.463590
  C      -2.917624      3.212976     -1.734797
  C      -1.853253      2.492449     -1.141870
  C      -2.095665      1.453412     -0.265014
  C      -3.431853      1.083787      0.067291
  C      -4.498514     -0.076726      5.787947
  C      -5.662342      0.105027      6.750242
  O      -5.895120      1.513511      6.993267
  C      -7.149824      1.971296      6.795797
  O      -8.074608      1.301911      6.371035
  C      -7.275356      3.412545      7.228376
  N      -6.429718      3.811431      8.170281
  C      -6.517913      5.106260      8.567656
  N      -7.303250      6.041987      8.072442
  C      -8.177085      5.649353      7.100119
  C      -9.033497      6.620192      6.524725
  C      -9.939905      6.250045      5.555239
  C     -10.031658      4.900925      5.135909
  C      -9.210245      3.933066      5.674261
  C      -8.248432      4.285286      6.656371
  H      -2.904352      4.277908      7.718254
  H      -4.099112      3.373510      6.794509
  H      -3.203752      6.057386      5.674097
  H      -4.344292      5.973099      7.063873
  H      -7.725347      1.637159      3.781836
  H      -8.700113      3.591563     -0.254668
  H      -7.916924      5.648129     -1.447245
  H      -6.230044      7.140351     -0.391612
  H      -5.288647      6.604153      1.833773
  H      -1.849453     -1.003604      4.460556
  H      -0.131152     -1.291038      4.702030
  H      -0.799415     -2.112446      2.545717
  H       0.295317     -0.708351      2.293666
  H      -7.092284      0.218204      0.651149
  H      -5.066496      3.383660     -1.916841
  H      -2.700629      4.034721     -2.418939
  H      -0.822516      2.755423     -1.384828
  H      -1.265838      0.905848      0.170424
  H      -4.760246      0.339292      4.806187
  H      -4.355756     -1.165771      5.655068
  H      -6.566562     -0.354090      6.329530
  H      -5.459101     -0.343542      7.733378
  H      -5.837940      5.401778      9.372872
  H      -8.952296      7.648129      6.879741
  H     -10.601600      6.996683      5.113187
  H     -10.765790      4.623539      4.377820
  H      -9.297989      2.895124      5.364381
  N      -3.245009      1.941516      3.533829
  N      -3.106376      2.959262      2.524111
  H      -2.975576      3.907959      2.941256
  H      -2.347294      2.785354      1.836525
  H      -3.974356      3.024784      1.966776
100
Coordinates from ORCA-job orca E -6707.571775712898
  N      -2.224897      3.585197      5.844862
  Mo     -2.256281      1.743423      5.114708
  N      -3.233224      0.533153      6.248201
  C      -2.612698     -0.042283      7.448291
  C      -1.714984      0.985455      8.114939
  N      -0.831200      1.627610      7.112318
  C      -0.459522      3.026460      7.455810
  C      -0.892168      3.962193      6.310737
  C       0.331084      0.795432      6.732900
  C       0.597895      1.020315      5.243778
  N      -0.637121      0.761439      4.505092
  H      -0.179220      3.893633      5.474623
  H      -0.870802      5.015195      6.643067
  H       0.622520      3.109663      7.639975
  H      -0.969782      3.310352      8.385964
  H       1.413592      0.367876      4.888634
  H       0.930406      2.055485      5.070770
  H       0.063691     -0.259886      6.888952
  H       1.207539      1.019599      7.365056
  H      -3.383398     -0.352357      8.171759
  H      -2.053908     -0.957637      7.173759
  H      -2.350763      1.772429      8.541884
  H      -1.134693      0.528714      8.936031
  C      -3.310780      4.127454      6.673421
  C      -3.916165      5.442120      6.186530
  O      -5.052643      5.141086      5.317543
  C      -4.847625      5.109296      4.007382
  O      -3.833581      5.513505      3.440595
  C      -5.983056      4.443098      3.268386
  N      -6.462018      3.346034      3.839105
  C      -7.397150      2.648527      3.138836
  N      -7.895854      2.952845      1.957167
  C      -7.422439      4.087699      1.363026
  C      -7.925487      4.458788      0.093596
  C      -7.452228      5.596049     -0.526054
  C      -6.466924      6.402130      0.095230
  C      -5.954377      6.066935      1.331007
  C      -6.418371      4.900110      1.990885
  C      -0.841837     -0.656409      4.160719
  C      -0.667188     -1.016170      2.693805
  O      -1.631158     -0.366095      1.824880
  C      -2.921464     -0.750380      1.952954
  O      -3.305876     -1.617173      2.711047
  C      -3.854742      0.025898      1.039663
  N      -5.128780     -0.277359      1.241403
  C      -6.061963      0.399204      0.533834
  N      -5.850223      1.390793     -0.312094
  C      -4.548977      1.716283     -0.549666
  C      -4.287575      2.791585     -1.438280
  C      -2.991682      3.147842     -1.734454
  C      -1.912975      2.430902     -1.164820
  C      -2.130776      1.389577     -0.283743
  C      -3.457766      1.012233      0.074878
  C      -4.477246     -0.111052      5.810809
  C      -5.641813      0.056474      6.773233
  O      -5.879142      1.464221      7.016614
  C      -7.140130      1.912740      6.842434
  O      -8.067840      1.233773      6.439825
  C      -7.265929      3.357943      7.265621
  N      -6.406968      3.768284      8.189866
  C      -6.494434      5.066471      8.578349
  N      -7.291361      5.994355      8.088178
  C      -8.179727      5.590187      7.133736
  C      -9.048691      6.553684      6.564900
  C      -9.969776      6.172474      5.613586
  C     -10.063766      4.819546      5.207469
  C      -9.230271      3.858919      5.740340
  C      -8.252735      4.222296      6.702803
  H      -2.935756      4.296824      7.699356
  H      -4.128420      3.397307      6.767858
  H      -3.191802      6.068589      5.651247
  H      -4.356988      6.001096      7.019986
  H      -7.764605      1.737763      3.620493
  H      -8.680175      3.820041     -0.365328
  H      -7.838349      5.883194     -1.505314
  H      -6.113270      7.300882     -0.412118
  H      -5.192505      6.685947      1.803028
  H      -1.836311     -1.002141      4.479499
  H      -0.115396     -1.274947      4.717780
  H      -0.760669     -2.105539      2.570687
  H       0.304480     -0.681259      2.309050
  H      -7.101590      0.109883      0.708387
  H      -5.146352      3.303962     -1.873561
  H      -2.791416      3.971788     -2.421035
  H      -0.888711      2.698986     -1.429005
  H      -1.289519      0.846333      0.134330
  H      -4.744008      0.303268      4.829593
  H      -4.318681     -1.197790      5.678501
  H      -6.542039     -0.408515      6.349698
  H      -5.441549     -0.392412      7.756820
  H      -5.802623      5.369669      9.370426
  H      -8.966197      7.585036      6.909432
  H     -10.641112      6.913199      5.176168
  H     -10.809623      4.533635      4.464090
  H      -9.319652      2.818381      5.440083
  N      -3.256019      1.915147      3.547898
  N      -3.116084      2.908986      2.518357
  H      -2.985146      3.867281      2.911781
  H      -2.352617      2.719467      1.839689
  H      -3.983623      2.966966      1.960283
100
Coordinates from ORCA-job orca E -6707.572610285742
  N      -2.228532      3.579618      5.871365
  Mo     -2.257245      1.741571      5.128039
  N      -3.239394      0.520773      6.247223
  C      -2.626193     -0.058248      7.449501
  C      -1.729661      0.965856      8.129520
  N      -0.838229      1.617112      7.140800
  C      -0.475275      3.013057      7.493386
  C      -0.899456      3.954412      6.351313
  C       0.325967      0.790727      6.756150
  C       0.602176      1.032328      5.271924
  N      -0.626134      0.781701      4.518035
  H      -0.178246      3.890951      5.522137
  H      -0.882396      5.004691      6.692155
  H       0.604476      3.097740      7.691166
  H      -0.998328      3.291505      8.418195
  H       1.421134      0.385457      4.914450
  H       0.934537      2.069720      5.112959
  H       0.059522     -0.266790      6.897477
  H       1.200216      1.007709      7.394244
  H      -3.402021     -0.369117      8.167355
  H      -2.067629     -0.973379      7.175021
  H      -2.366778      1.749265      8.560878
  H      -1.157067      0.499173      8.950706
  C      -3.321935      4.119453      6.688315
  C      -3.944361      5.418008      6.179117
  O      -5.081009      5.094002      5.318843
  C      -4.873597      5.033014      4.009872
  O      -3.857575      5.418387      3.435008
  C      -6.019735      4.374468      3.280287
  N      -6.500173      3.279402      3.852307
  C      -7.443181      2.588630      3.157551
  N      -7.952579      2.900170      1.982265
  C      -7.478823      4.034107      1.387859
  C      -7.994577      4.413424      0.125936
  C      -7.520887      5.549541     -0.494787
  C      -6.522733      6.346345      0.117708
  C      -5.997834      6.003521      1.346101
  C      -6.462085      4.836874      2.007233
  C      -0.819670     -0.630061      4.142839
  C      -0.624969     -0.960750      2.673787
  O      -1.601189     -0.317429      1.812886
  C      -2.879779     -0.747750      1.918139
  O      -3.243968     -1.643141      2.652778
  C      -3.833214      0.025562      1.017999
  N      -5.101633     -0.293683      1.229129
  C      -6.050422      0.385490      0.542396
  N      -5.857358      1.394801     -0.285476
  C      -4.562127      1.737136     -0.532317
  C      -4.321156      2.831710     -1.402300
  C      -3.031164      3.200010     -1.711067
  C      -1.940900      2.475427     -1.174815
  C      -2.138945      1.415730     -0.310963
  C      -3.457607      1.028860      0.063307
  C      -4.484932     -0.117576      5.803759
  C      -5.656825      0.059694      6.756604
  O      -5.885630      1.468469      7.007964
  C      -7.142232      1.931147      6.842035
  O      -8.072185      1.276065      6.405780
  C      -7.244458      3.380617      7.258723
  N      -6.402782      3.774541      8.205104
  C      -6.473410      5.074802      8.589496
  N      -7.237641      6.018336      8.076719
  C      -8.108771      5.630354      7.099989
  C      -8.943935      6.609424      6.507472
  C      -9.847501      6.243956      5.533487
  C      -9.957588      4.892232      5.127008
  C      -9.156699      3.916963      5.682414
  C      -8.197787      4.263458      6.669314
  H      -2.951919      4.306298      7.712997
  H      -4.131050      3.381078      6.790806
  H      -3.228263      6.041625      5.629555
  H      -4.389715      5.987848      7.003023
  H      -7.805623      1.675192      3.636960
  H      -8.759062      3.782429     -0.327249
  H      -7.916913      5.843406     -1.468092
  H      -6.169492      7.245154     -0.389841
  H      -5.228451      6.617882      1.811683
  H      -1.814447     -0.990712      4.443006
  H      -0.094669     -1.253983      4.696208
  H      -0.693994     -2.049561      2.531811
  H       0.341299     -0.598946      2.300051
  H      -7.084241      0.078921      0.722460
  H      -5.189111      3.347773     -1.814328
  H      -2.844519      4.038405     -2.383746
  H      -0.923155      2.753558     -1.453606
  H      -1.288121      0.866450      0.078734
  H      -4.742590      0.298481      4.820492
  H      -4.329671     -1.205207      5.672283
  H      -6.557309     -0.392603      6.320870
  H      -5.473976     -0.397597      7.739787
  H      -5.795709      5.364905      9.398323
  H      -8.850595      7.639722      6.852282
  H     -10.492845      6.996645      5.077790
  H     -10.689236      4.619473      4.364961
  H      -9.258196      2.877830      5.380152
  N      -3.258948      1.911144      3.564635
  N      -3.105400      2.904539      2.530789
  H      -2.973612      3.865052      2.918621
  H      -2.342823      2.705237      1.854445
  H      -3.971290      2.959204      1.969145
100
Coordinates from ORCA-job orca E -6707.573273096101
  N      -2.231238      3.581411      5.887899
  Mo     -2.263937      1.746148      5.137214
  N      -3.248429      0.514554      6.244046
  C      -2.642995     -0.067980      7.447551
  C      -1.748047      0.953160      8.136276
  N      -0.852666      1.609045      7.154839
  C      -0.489247      3.001234      7.515724
  C      -0.902649      3.948023      6.375860
  C       0.311210      0.783519      6.766666
  C       0.595015      1.037961      5.286179
  N      -0.630090      0.796647      4.522878
  H      -0.177403      3.885713      5.550364
  H      -0.883852      4.996355      6.722760
  H       0.588861      3.082525      7.724635
  H      -1.020997      3.277052      8.436481
  H       1.413719      0.391941      4.926582
  H       0.931066      2.075563      5.138042
  H       0.042430     -0.274603      6.897714
  H       1.183824      0.993139      7.409678
  H      -3.422564     -0.379218      8.161467
  H      -2.084070     -0.982925      7.173936
  H      -2.386811      1.734035      8.569586
  H      -1.179277      0.481463      8.957335
  C      -3.327328      4.118071      6.702541
  C      -3.954171      5.416763      6.196864
  O      -5.091814      5.093933      5.338645
  C      -4.888394      5.054248      4.028390
  O      -3.872155      5.444484      3.457606
  C      -6.012040      4.354921      3.304041
  N      -6.471015      3.261341      3.895691
  C      -7.397001      2.538946      3.212105
  N      -7.909736      2.817649      2.030172
  C      -7.456663      3.948089      1.414869
  C      -7.975712      4.292580      0.143760
  C      -7.523157      5.425096     -0.497878
  C      -6.543666      6.254427      0.101811
  C      -6.016137      5.946810      1.338169
  C      -6.458557      4.783868      2.020912
  C      -0.816273     -0.608513      4.122663
  C      -0.611132     -0.910866      2.648974
  O      -1.598003     -0.266738      1.799149
  C      -2.864751     -0.736311      1.884290
  O      -3.209656     -1.657896      2.595078
  C      -3.834995      0.036120      0.999950
  N      -5.099833     -0.289743      1.223252
  C      -6.058703      0.396038      0.556772
  N      -5.878742      1.421615     -0.254148
  C      -4.587308      1.768943     -0.513638
  C      -4.356971      2.878776     -1.367064
  C      -3.070614      3.246659     -1.692332
  C      -1.973949      2.506175     -1.191359
  C      -2.161554      1.432727     -0.342589
  C      -3.474621      1.048622      0.051577
  C      -4.490609     -0.120709      5.788375
  C      -5.674712      0.068234      6.724129
  O      -5.892708      1.479929      6.970150
  C      -7.144154      1.953906      6.796853
  O      -8.080735      1.307101      6.362709
  C      -7.239048      3.396556      7.236072
  N      -6.408283      3.766732      8.201587
  C      -6.473112      5.060649      8.606645
  N      -7.221300      6.019711      8.098236
  C      -8.079438      5.656177      7.100707
  C      -8.896346      6.651908      6.510611
  C      -9.786115      6.310508      5.515486
  C      -9.900397      4.966885      5.083702
  C      -9.117278      3.975716      5.636088
  C      -8.173759      4.297418      6.645762
  H      -2.960771      4.300491      7.729376
  H      -4.134930      3.377309      6.801217
  H      -3.241282      6.043960      5.647120
  H      -4.400959      5.983137      7.022407
  H      -7.743954      1.629389      3.709781
  H      -8.726248      3.637658     -0.298889
  H      -7.922236      5.691555     -1.477831
  H      -6.207125      7.150348     -0.421928
  H      -5.261897      6.586969      1.793572
  H      -1.811915     -0.976861      4.408456
  H      -0.094285     -1.239928      4.671671
  H      -0.662891     -1.997783      2.487003
  H       0.350107     -0.527096      2.284421
  H      -7.088907      0.078080      0.739049
  H      -5.229325      3.405765     -1.755407
  H      -2.892066      4.096308     -2.352927
  H      -0.960687      2.783690     -1.486524
  H      -1.305675      0.871267      0.019052
  H      -4.735385      0.293007      4.800899
  H      -4.338428     -1.209550      5.662163
  H      -6.573351     -0.373564      6.274357
  H      -5.511351     -0.391962      7.709522
  H      -5.807512      5.330771      9.432396
  H      -8.799924      7.675445      6.874244
  H     -10.417162      7.076358      5.061685
  H     -10.620439      4.713258      4.304275
  H      -9.221626      2.942805      5.313752
  N      -3.266075      1.919319      3.575845
  N      -3.092351      2.903023      2.533186
  H      -2.951520      3.865350      2.913753
  H      -2.329764      2.684751      1.863384
  H      -3.955042      2.963625      1.966638
100
Coordinates from ORCA-job orca E -6707.573974339276
  N      -2.225467      3.587749      5.886260
  Mo     -2.265041      1.747622      5.147458
  N      -3.251191      0.510724      6.246446
  C      -2.656580     -0.071375      7.454451
  C      -1.770721      0.951928      8.147956
  N      -0.871435      1.608755      7.170545
  C      -0.507138      3.000588      7.535982
  C      -0.901263      3.947935      6.388939
  C       0.293975      0.781726      6.790033
  C       0.590490      1.037390      5.312132
  N      -0.629451      0.800630      4.539744
  H      -0.167271      3.881069      5.571680
  H      -0.881334      4.996627      6.734723
  H       0.568035      3.078548      7.760984
  H      -1.051492      3.278956      8.448621
  H       1.409268      0.387794      4.959297
  H       0.931898      2.073603      5.167224
  H       0.022273     -0.276030      6.918415
  H       1.161929      0.989273      7.439901
  H      -3.441659     -0.383383      8.162073
  H      -2.093265     -0.985384      7.186685
  H      -2.415457      1.731296      8.574962
  H      -1.205314      0.484006      8.973401
  C      -3.332605      4.137314      6.677409
  C      -3.944246      5.431199      6.142953
  O      -5.072602      5.096726      5.276391
  C      -4.860096      5.027523      3.967972
  O      -3.836670      5.395378      3.394812
  C      -5.999363      4.345298      3.251497
  N      -6.483617      3.270122      3.857300
  C      -7.435984      2.567765      3.188784
  N      -7.953970      2.851920      2.010814
  C      -7.474381      3.962985      1.380561
  C      -7.998463      4.312740      0.112622
  C      -7.521925      5.426850     -0.543416
  C      -6.512882      6.233229      0.038519
  C      -5.980016      5.920635      1.271266
  C      -6.445913      4.775289      1.968302
  C      -0.811945     -0.600287      4.126596
  C      -0.595394     -0.885654      2.650306
  O      -1.585663     -0.240867      1.804677
  C      -2.841043     -0.743180      1.864684
  O      -3.172227     -1.687699      2.551020
  C      -3.817018      0.027150      0.987907
  N      -5.080129     -0.297988      1.219605
  C      -6.041781      0.393071      0.563478
  N      -5.866041      1.427982     -0.236801
  C      -4.575845      1.773597     -0.505127
  C      -4.348368      2.892371     -1.347821
  C      -3.063566      3.255221     -1.684868
  C      -1.965641      2.500349     -1.208188
  C      -2.150339      1.419291     -0.368759
  C      -3.461046      1.041689      0.040406
  C      -4.488793     -0.123318      5.779453
  C      -5.678139      0.067010      6.707323
  O      -5.885568      1.480164      6.951046
  C      -7.139654      1.954311      6.797605
  O      -8.088427      1.300295      6.403373
  C      -7.229941      3.393262      7.248813
  N      -6.371421      3.761574      8.190771
  C      -6.429385      5.052876      8.604938
  N      -7.196713      6.011421      8.125137
  C      -8.083110      5.650058      7.151733
  C      -8.921258      6.645651      6.592168
  C      -9.839657      6.306356      5.622700
  C      -9.962188      4.964694      5.187072
  C      -9.158924      3.973584      5.710008
  C      -8.186007      4.293397      6.692048
  H      -2.982995      4.331013      7.708154
  H      -4.145610      3.401461      6.771935
  H      -3.220540      6.044368      5.591570
  H      -4.397882      6.014754      6.952557
  H      -7.807132      1.675039      3.700044
  H      -8.772530      3.675889     -0.315811
  H      -7.925147      5.696932     -1.520712
  H      -6.157862      7.115639     -0.495868
  H      -5.204338      6.544391      1.713348
  H      -1.810616     -0.969091      4.400674
  H      -0.096497     -1.238322      4.676459
  H      -0.635157     -1.971125      2.476176
  H       0.363327     -0.487399      2.294850
  H      -7.071002      0.074457      0.749474
  H      -5.221732      3.428747     -1.720623
  H      -2.887319      4.111253     -2.337830
  H      -0.954400      2.772601     -1.514852
  H      -1.293292      0.847427     -0.025440
  H      -4.727174      0.291328      4.791088
  H      -4.336992     -1.212085      5.654280
  H      -6.576740     -0.368676      6.250778
  H      -5.523652     -0.396279      7.692738
  H      -5.741502      5.321122      9.412937
  H      -8.817516      7.667579      6.958385
  H     -10.487052      7.072305      5.192682
  H     -10.704867      4.712315      4.428710
  H      -9.269729      2.942136      5.385752
  N      -3.257846      1.921447      3.581400
  N      -3.060737      2.886845      2.527251
  H      -2.910858      3.851982      2.895549
  H      -2.290722      2.646127      1.874045
  H      -3.915481      2.953627      1.950111
100
Coordinates from ORCA-job orca E -6707.574543692878
  N      -2.200179      3.588819      5.879357
  Mo     -2.249736      1.744421      5.151446
  N      -3.246450      0.511291      6.245848
  C      -2.664678     -0.066153      7.461930
  C      -1.783368      0.958725      8.159260
  N      -0.873437      1.608468      7.187703
  C      -0.503373      3.000376      7.547847
  C      -0.878537      3.943418      6.390134
  C       0.290017      0.773962      6.818406
  C       0.601972      1.025695      5.342860
  N      -0.611982      0.795116      4.558836
  H      -0.138008      3.867024      5.579806
  H      -0.855812      4.993950      6.730211
  H       0.569672      3.072863      7.784646
  H      -1.055950      3.289317      8.452275
  H       1.419423      0.369388      4.999607
  H       0.952196      2.059162      5.199301
  H       0.011286     -0.282040      6.946814
  H       1.153930      0.978055      7.474894
  H      -3.456741     -0.373229      8.163902
  H      -2.100150     -0.982608      7.204664
  H      -2.430467      1.741544      8.576441
  H      -1.227232      0.493184      8.992436
  C      -3.308396      4.147410      6.662956
  C      -3.921317      5.434526      6.115144
  O      -5.056156      5.089646      5.261271
  C      -4.856559      5.011817      3.951727
  O      -3.846513      5.394324      3.363875
  C      -6.014856      4.348844      3.247487
  N      -6.500231      3.270256      3.846658
  C      -7.477710      2.592582      3.188097
  N      -8.022276      2.907424      2.029972
  C      -7.539111      4.020594      1.406318
  C      -8.088092      4.402594      0.158221
  C      -7.603814      5.516509     -0.492675
  C      -6.560453      6.289988      0.073970
  C      -6.003974      5.946112      1.287745
  C      -6.480396      4.803031      1.980195
  C      -0.794161     -0.601918      4.132978
  C      -0.569617     -0.873806      2.654615
  O      -1.565302     -0.231803      1.812067
  C      -2.809299     -0.765313      1.849053
  O      -3.126124     -1.727359      2.515007
  C      -3.790702     -0.000658      0.976230
  N      -5.053216     -0.315948      1.222895
  C      -6.015707      0.381653      0.574691
  N      -5.839725      1.415750     -0.226552
  C      -4.549682      1.750271     -0.509801
  C      -4.319346      2.869403     -1.351262
  C      -3.034364      3.218553     -1.701841
  C      -1.938953      2.448764     -1.242904
  C      -2.126121      1.367396     -0.404655
  C      -3.436231      1.007116      0.021851
  C      -4.482820     -0.120678      5.772394
  C      -5.677475      0.072631      6.693468
  O      -5.888043      1.484911      6.937612
  C      -7.146153      1.952104      6.793764
  O      -8.090934      1.296889      6.392387
  C      -7.240344      3.392899      7.239182
  N      -6.377826      3.767383      8.175286
  C      -6.438059      5.059801      8.585567
  N      -7.210988      6.014193      8.106831
  C      -8.103587      5.646309      7.141609
  C      -8.949887      6.636896      6.585626
  C      -9.875939      6.290801      5.625909
  C      -9.998185      4.947043      5.196986
  C      -9.186501      3.960731      5.716100
  C      -8.204893      4.287569      6.687130
  H      -2.959340      4.353820      7.691312
  H      -4.120536      3.411834      6.767666
  H      -3.200344      6.039442      5.551191
  H      -4.369519      6.028468      6.920272
  H      -7.848600      1.695050      3.691828
  H      -8.885974      3.788999     -0.260437
  H      -8.025473      5.810568     -1.455182
  H      -6.197274      7.171011     -0.457235
  H      -5.199886      6.541823      1.718170
  H      -1.795890     -0.970146      4.397125
  H      -0.085235     -1.246726      4.683130
  H      -0.598319     -1.957974      2.471476
  H       0.385692     -0.462251      2.305228
  H      -7.045690      0.075163      0.776025
  H      -5.190463      3.416362     -1.713603
  H      -2.856090      4.074878     -2.353938
  H      -0.928898      2.709172     -1.563330
  H      -1.271765      0.782777     -0.075589
  H      -4.714873      0.290442      4.781057
  H      -4.332303     -1.209968      5.652038
  H      -6.574383     -0.362918      6.233042
  H      -5.527796     -0.390643      7.679526
  H      -5.743856      5.334207      9.386029
  H      -8.846633      7.660545      6.947227
  H     -10.530079      7.052851      5.199139
  H     -10.747455      4.688918      4.447033
  H      -9.297553      2.927679      5.397565
  N      -3.227344      1.916803      3.577593
  N      -3.008772      2.855932      2.504907
  H      -2.851115      3.829507      2.849023
  H      -2.236084      2.586452      1.867053
  H      -3.856275      2.919146      1.917665
100
Coordinates from ORCA-job orca E -6707.575186837186
  N      -2.204048      3.591577      5.895962
  Mo     -2.260480      1.746341      5.169033
  N      -3.247923      0.501733      6.260839
  C      -2.663448     -0.077354      7.474119
  C      -1.785190      0.948750      8.173218
  N      -0.880015      1.605073      7.202232
  C      -0.512023      2.995764      7.567852
  C      -0.883346      3.941840      6.411452
  C       0.283961      0.775145      6.825117
  C       0.593944      1.036552      5.350819
  N      -0.620784      0.810841      4.566257
  H      -0.141232      3.866560      5.602509
  H      -0.859693      4.991357      6.754516
  H       0.559927      3.068316      7.810015
  H      -1.068913      3.282063      8.470473
  H       1.410486      0.381882      5.002740
  H       0.944144      2.070771      5.213298
  H       0.007920     -0.282201      6.948026
  H       1.149220      0.976992      7.480620
  H      -3.453061     -0.389246      8.176762
  H      -2.095626     -0.991183      7.214634
  H      -2.435153      1.727649      8.593456
  H      -1.226105      0.483099      9.004437
  C      -3.315909      4.157407      6.667950
  C      -3.917919      5.445109      6.109247
  O      -5.044578      5.101239      5.244157
  C      -4.831588      5.024164      3.936264
  O      -3.811810      5.399103      3.360929
  C      -5.980322      4.354396      3.222550
  N      -6.473706      3.281349      3.825408
  C      -7.445259      2.599644      3.162624
  N      -7.975237      2.903794      1.994795
  C      -7.483560      4.010483      1.366863
  C      -8.017772      4.381612      0.108963
  C      -7.525467      5.489041     -0.546606
  C      -6.488608      6.267504      0.025123
  C      -5.946547      5.934772      1.248481
  C      -6.431037      4.797869      1.945952
  C      -0.797353     -0.580406      4.119417
  C      -0.572448     -0.823964      2.636723
  O      -1.584850     -0.182533      1.813991
  C      -2.811522     -0.756985      1.831609
  O      -3.100140     -1.746718      2.469095
  C      -3.812953      0.002520      0.978539
  N      -5.068371     -0.324673      1.243804
  C      -6.046196      0.372830      0.618639
  N      -5.890670      1.420164     -0.169356
  C      -4.607950      1.765885     -0.472634
  C      -4.398260      2.897780     -1.302021
  C      -3.121704      3.254049     -1.675431
  C      -2.015064      2.478255     -1.254773
  C      -2.181686      1.384548     -0.428408
  C      -3.481259      1.019153      0.025132
  C      -4.482868     -0.131697      5.785815
  C      -5.678877      0.056255      6.707230
  O      -5.890611      1.467189      6.958778
  C      -7.151569      1.932316      6.830328
  O      -8.095482      1.281688      6.419566
  C      -7.240032      3.378874      7.259782
  N      -6.379782      3.758259      8.196052
  C      -6.434969      5.054571      8.593767
  N      -7.200029      6.008766      8.101988
  C      -8.090900      5.636182      7.137187
  C      -8.929635      6.625953      6.568308
  C      -9.854207      6.275771      5.608791
  C      -9.982525      4.928559      5.192726
  C      -9.178157      3.942923      5.724460
  C      -8.197890      4.273403      6.695575
  H      -2.975709      4.366283      7.698749
  H      -4.132390      3.426232      6.768687
  H      -3.188936      6.044277      5.549511
  H      -4.371260      6.044451      6.907464
  H      -7.818601      1.703877      3.667741
  H      -8.811296      3.764686     -0.313096
  H      -7.936036      5.774382     -1.516494
  H      -6.118832      7.143581     -0.509695
  H      -5.148029      6.534922      1.682695
  H      -1.798375     -0.956434      4.376860
  H      -0.086971     -1.231337      4.659882
  H      -0.584832     -1.904657      2.433816
  H       0.373804     -0.389701      2.290366
  H      -7.069878      0.049567      0.825293
  H      -5.277631      3.448016     -1.638664
  H      -2.959140      4.120282     -2.318498
  H      -1.013570      2.744068     -1.596775
  H      -1.319101      0.796083     -0.129477
  H      -4.716550      0.281646      4.795731
  H      -4.330334     -1.220438      5.662381
  H      -6.574920     -0.377520      6.243658
  H      -5.530469     -0.412070      7.691114
  H      -5.742383      5.333519      9.394056
  H      -8.821741      7.652453      6.920369
  H     -10.502530      7.037267      5.172284
  H     -10.730512      4.666923      4.442750
  H      -9.294140      2.907563      5.415464
  N      -3.248161      1.915894      3.602779
  N      -3.022639      2.845226      2.521652
  H      -2.862198      3.820680      2.856401
  H      -2.249221      2.564680      1.889742
  H      -3.868470      2.906083      1.932300
100
Coordinates from ORCA-job orca E -6707.575838143332
  N      -2.226350      3.581850      5.918800
  Mo     -2.269011      1.738719      5.188213
  N      -3.249653      0.477939      6.271205
  C      -2.667368     -0.098222      7.486371
  C      -1.798467      0.932245      8.192689
  N      -0.894532      1.599290      7.228766
  C      -0.541129      2.990440      7.601445
  C      -0.911133      3.937254      6.446209
  C       0.277922      0.782146      6.849396
  C       0.592738      1.058307      5.378874
  N      -0.616299      0.830054      4.584796
  H      -0.162762      3.869264      5.642469
  H      -0.896035      4.985856      6.792682
  H       0.528161      3.070736      7.853441
  H      -1.108146      3.269185      8.500141
  H       1.415449      0.412697      5.028692
  H       0.935945      2.096055      5.252534
  H       0.011325     -0.278439      6.963275
  H       1.139334      0.986721      7.509342
  H      -3.457227     -0.416285      8.186091
  H      -2.091987     -1.008012      7.229553
  H      -2.456414      1.704678      8.612654
  H      -1.240506      0.467812      9.025494
  C      -3.349684      4.144351      6.674700
  C      -3.955564      5.424479      6.100685
  O      -5.077457      5.074287      5.231785
  C      -4.857132      4.993334      3.924878
  O      -3.826069      5.347957      3.357475
  C      -6.006278      4.328191      3.207642
  N      -6.507701      3.259305      3.810843
  C      -7.482066      2.583674      3.147497
  N      -8.008643      2.889870      1.978549
  C      -7.510122      3.992717      1.350853
  C      -8.041807      4.366779      0.092536
  C      -7.544429      5.471503     -0.562863
  C      -6.505354      6.246133      0.009873
  C      -5.965453      5.911193      1.233540
  C      -6.453465      4.774684      1.930370
  C      -0.769444     -0.554390      4.107753
  C      -0.534372     -0.758290      2.621108
  O      -1.567826     -0.127006      1.815241
  C      -2.770309     -0.753848      1.804806
  O      -3.022381     -1.772927      2.410823
  C      -3.796464     -0.007802      0.968358
  N      -5.043817     -0.355452      1.248072
  C      -6.039691      0.334613      0.642279
  N      -5.908929      1.393943     -0.134083
  C      -4.635477      1.759799     -0.451874
  C      -4.449700      2.904911     -1.268445
  C      -3.182402      3.277694     -1.657096
  C      -2.061372      2.505439     -1.268119
  C      -2.204560      1.399162     -0.454586
  C      -3.492619      1.019871      0.018297
  C      -4.482505     -0.156263      5.792335
  C      -5.685676      0.043785      6.702334
  O      -5.883605      1.458055      6.947080
  C      -7.135015      1.942611      6.799069
  O      -8.087333      1.301878      6.391789
  C      -7.209116      3.384255      7.245422
  N      -6.355243      3.741212      8.196414
  C      -6.395196      5.033919      8.606193
  N      -7.139218      6.004939      8.114001
  C      -8.021770      5.655578      7.133124
  C      -8.836836      6.663580      6.561706
  C      -9.752245      6.337161      5.585212
  C      -9.894763      4.996268      5.153482
  C      -9.113662      3.993131      5.687089
  C      -8.144081      4.298792      6.676787
  H      -3.022074      4.362009      7.707849
  H      -4.161765      3.407876      6.772041
  H      -3.226449      6.022014      5.539489
  H      -4.415455      6.028368      6.891846
  H      -7.859393      1.689993      3.652320
  H      -8.838487      3.753727     -0.329262
  H      -7.953907      5.758785     -1.532622
  H      -6.132626      7.121652     -0.523766
  H      -5.167752      6.510883      1.668951
  H      -1.766509     -0.950921      4.349655
  H      -0.052969     -1.205633      4.639199
  H      -0.516295     -1.833304      2.391671
  H       0.398594     -0.287625      2.286667
  H      -7.056125     -0.008289      0.853853
  H      -5.338545      3.452810     -1.583695
  H      -3.038630      4.154851     -2.289727
  H      -1.069092      2.784407     -1.625931
  H      -1.332100      0.812793     -0.180910
  H      -4.709074      0.252980      4.798775
  H      -4.333097     -1.246515      5.674967
  H      -6.581228     -0.381258      6.230674
  H      -5.550784     -0.423963      7.688561
  H      -5.712311      5.293835      9.421180
  H      -8.717831      7.684691      6.925620
  H     -10.381990      7.112898      5.146640
  H     -10.634700      4.753402      4.389462
  H      -9.240073      2.962754      5.365089
  N      -3.257859      1.899421      3.624112
  N      -3.028304      2.822754      2.537071
  H      -2.875030      3.800933      2.865239
  H      -2.250428      2.537470      1.912862
  H      -3.870483      2.872051      1.940872
100
Coordinates from ORCA-job orca E -6707.576509615948
  N      -2.219315      3.578441      5.926545
  Mo     -2.266936      1.734570      5.200130
  N      -3.251403      0.470554      6.278025
  C      -2.675921     -0.105424      7.496055
  C      -1.810287      0.925044      8.206125
  N      -0.902540      1.592372      7.246129
  C      -0.548704      2.983129      7.621141
  C      -0.907032      3.930477      6.462575
  C       0.270650      0.774693      6.869658
  C       0.594124      1.055644      5.401726
  N      -0.610965      0.833057      4.599593
  H      -0.153476      3.860263      5.663973
  H      -0.891421      4.979337      6.808298
  H       0.518660      3.061386      7.882076
  H      -1.122378      3.263629      8.515087
  H       1.417032      0.409122      5.053840
  H       0.940865      2.092930      5.281782
  H       0.002194     -0.285912      6.979004
  H       1.129149      0.976348      7.534350
  H      -3.469071     -0.422997      8.192391
  H      -2.099276     -1.015727      7.243500
  H      -2.470502      1.697581      8.622427
  H      -1.256124      0.461447      9.041931
  C      -3.345540      4.148873      6.671887
  C      -3.948450      5.423489      6.083305
  O      -5.069682      5.064574      5.217183
  C      -4.850972      4.975256      3.910648
  O      -3.822119      5.330083      3.339087
  C      -6.005942      4.314950      3.198620
  N      -6.510885      3.248769      3.803703
  C      -7.496029      2.582554      3.146334
  N      -8.031801      2.897741      1.983940
  C      -7.527691      3.996570      1.353778
  C      -8.066007      4.378986      0.100725
  C      -7.562075      5.479421     -0.557148
  C      -6.508859      6.241020      0.007452
  C      -5.962433      5.897582      1.225839
  C      -6.458049      4.766362      1.925268
  C      -0.754132     -0.543205      4.096556
  C      -0.514419     -0.714515      2.606014
  O      -1.562623     -0.088747      1.813574
  C      -2.745480     -0.753414      1.777280
  O      -2.969923     -1.795393      2.353535
  C      -3.785685     -0.013915      0.955655
  N      -5.029232     -0.362261      1.251250
  C      -6.031721      0.330192      0.658972
  N      -5.909300      1.393709     -0.113420
  C      -4.639740      1.758937     -0.446940
  C      -4.459880      2.908535     -1.258538
  C      -3.196126      3.277778     -1.661845
  C      -2.072705      2.497542     -1.295204
  C      -2.209813      1.387096     -0.486694
  C      -3.493038      1.013740      0.003622
  C      -4.485367     -0.158764      5.796578
  C      -5.691166      0.048477      6.702004
  O      -5.885240      1.463648      6.943923
  C      -7.136057      1.950079      6.795667
  O      -8.089399      1.309942      6.390002
  C      -7.208548      3.391757      7.241982
  N      -6.352243      3.748271      8.191246
  C      -6.390227      5.040997      8.600915
  N      -7.134308      6.012656      8.109942
  C      -8.020006      5.663645      7.131841
  C      -8.836061      6.672024      6.562541
  C      -9.755584      6.345774      5.589830
  C      -9.901455      5.004588      5.160239
  C      -9.119252      4.001104      5.691581
  C      -8.145071      4.306660      6.676663
  H      -3.022699      4.376550      7.704332
  H      -4.158026      3.413379      6.773402
  H      -3.217639      6.013525      5.516460
  H      -4.408666      6.036181      6.867430
  H      -7.878499      1.692193      3.653366
  H      -8.873212      3.775380     -0.314797
  H      -7.976783      5.772894     -1.522835
  H      -6.130264      7.112659     -0.528387
  H      -5.152863      6.486016      1.655210
  H      -1.750068     -0.949160      4.326991
  H      -0.036282     -1.200013      4.618961
  H      -0.475294     -1.783897      2.354571
  H       0.408229     -0.217223      2.281873
  H      -7.046317     -0.010302      0.883180
  H      -5.349800      3.463706     -1.557554
  H      -3.057378      4.159158     -2.289760
  H      -1.084692      2.773333     -1.666880
  H      -1.336674      0.793100     -0.229939
  H      -4.707047      0.248654      4.801183
  H      -4.341525     -1.250155      5.683222
  H      -6.587011     -0.373978      6.228385
  H      -5.560491     -0.418091      7.689384
  H      -5.705804      5.300757      9.414660
  H      -8.714566      7.693218      6.925417
  H     -10.386211      7.121795      5.153024
  H     -10.644809      4.761565      4.399556
  H      -9.248094      2.970396      5.371512
  N      -3.248182      1.896931      3.633179
  N      -3.005996      2.800984      2.534029
  H      -2.849688      3.784041      2.847208
  H      -2.224355      2.496603      1.923733
  H      -3.842054      2.845877      1.928944
100
Coordinates from ORCA-job orca E -6707.577187676196
  N      -2.210898      3.570972      5.933606
  Mo     -2.264036      1.727009      5.212266
  N      -3.256274      0.464233      6.288462
  C      -2.686222     -0.113304      7.507895
  C      -1.820857      0.915206      8.219790
  N      -0.909651      1.580857      7.261568
  C      -0.553056      2.971599      7.638189
  C      -0.900443      3.919162      6.476376
  C       0.263222      0.761044      6.889087
  C       0.595344      1.045414      5.423786
  N      -0.606079      0.829100      4.614372
  H      -0.142674      3.845228      5.682026
  H      -0.882245      4.968723      6.819747
  H       0.513078      3.046687      7.905254
  H      -1.130542      3.254365      8.528955
  H       1.417916      0.397408      5.078221
  H       0.946364      2.082101      5.310338
  H      -0.008641     -0.299169      6.994524
  H       1.118726      0.959308      7.558600
  H      -3.481950     -0.429144      8.202240
  H      -2.110809     -1.025419      7.258368
  H      -2.481120      1.689329      8.633067
  H      -1.269513      0.452236      9.057724
  C      -3.336701      4.154573      6.669439
  C      -3.931167      5.426031      6.066777
  O      -5.054524      5.062731      5.205297
  C      -4.841285      4.965039      3.898697
  O      -3.813786      5.313588      3.320494
  C      -6.003611      4.308847      3.195570
  N      -6.510875      3.246135      3.804832
  C      -7.508574      2.589041      3.156409
  N      -8.054792      2.911562      2.000832
  C      -7.546412      4.005984      1.366048
  C      -8.093118      4.395354      0.118839
  C      -7.584363      5.491685     -0.542900
  C      -6.517415      6.241503      0.011795
  C      -5.962789      5.890480      1.224338
  C      -6.463757      4.764420      1.927229
  C      -0.736908     -0.537323      4.082447
  C      -0.494502     -0.670547      2.587423
  O      -1.556467     -0.049993      1.807589
  C      -2.720665     -0.747069      1.743767
  O      -2.916636     -1.810914      2.287286
  C      -3.771093     -0.012674      0.936675
  N      -5.011714     -0.358522      1.247371
  C      -6.018228      0.334818      0.663263
  N      -5.900963      1.395491     -0.114624
  C      -4.634306      1.757036     -0.462434
  C      -4.456213      2.903924     -1.278532
  C      -3.193914      3.266443     -1.692840
  C      -2.069824      2.482314     -1.334946
  C      -2.205580      1.374743     -0.522869
  C      -3.485855      1.010510     -0.020884
  C      -4.494474     -0.156842      5.809310
  C      -5.697653      0.057085      6.717500
  O      -5.891777      1.472544      6.957406
  C      -7.143575      1.957602      6.809872
  O      -8.095774      1.315922      6.404045
  C      -7.216690      3.402083      7.247507
  N      -6.355891      3.765768      8.190223
  C      -6.393092      5.060779      8.592196
  N      -7.139762      6.028987      8.098210
  C      -8.030933      5.672813      7.127870
  C      -8.850768      6.677135      6.556702
  C      -9.776899      6.343960      5.592653
  C      -9.925813      4.999577      5.174438
  C      -9.139821      4.000022      5.707564
  C      -8.158128      4.312613      6.682836
  H      -3.015774      4.392022      7.700176
  H      -4.152655      3.423800      6.777016
  H      -3.196476      6.005052      5.493687
  H      -4.387534      6.049661      6.844389
  H      -7.895051      1.702183      3.666919
  H      -8.910696      3.800089     -0.288510
  H      -8.005540      5.790338     -1.504197
  H      -6.134748      7.109346     -0.527282
  H      -5.141226      6.467890      1.646531
  H      -1.730585     -0.954415      4.302480
  H      -0.014897     -1.198795      4.592665
  H      -0.433158     -1.732286      2.309979
  H       0.416452     -0.144210      2.276604
  H      -7.032076      0.000287      0.899488
  H      -5.345240      3.464481     -1.569873
  H      -3.057407      4.146612     -2.322997
  H      -1.084032      2.752017     -1.716725
  H      -1.334335      0.774672     -0.271624
  H      -4.715031      0.249649      4.813318
  H      -4.359893     -1.249691      5.699386
  H      -6.595633     -0.366595      6.248737
  H      -5.562538     -0.406061      7.705903
  H      -5.704247      5.326932      9.400081
  H      -8.726718      7.700741      6.911867
  H     -10.410554      7.116750      5.154508
  H     -10.674716      4.750650      4.421056
  H      -9.270779      2.966768      5.396854
  N      -3.236792      1.893564      3.641261
  N      -2.981637      2.778348      2.531221
  H      -2.823533      3.764840      2.833705
  H      -2.192120      2.459741      1.938779
  H      -3.809161      2.816626      1.914233
100
Coordinates from ORCA-job orca E -6707.577807951952
  N      -2.206397      3.563950      5.950175
  Mo     -2.264385      1.719997      5.230853
  N      -3.257425      0.454843      6.306791
  C      -2.687329     -0.124528      7.525224
  C      -1.821006      0.902864      8.237572
  N      -0.911179      1.570104      7.278651
  C      -0.553792      2.960443      7.657831
  C      -0.896167      3.909248      6.496024
  C       0.261197      0.750879      6.903500
  C       0.595802      1.041930      5.440051
  N      -0.604693      0.831044      4.627204
  H      -0.136539      3.833966      5.703509
  H      -0.875861      4.958650      6.839517
  H       0.511651      3.033841      7.928369
  H      -1.133707      3.242662      8.547143
  H       1.418168      0.394993      5.092469
  H       0.948458      2.078909      5.333368
  H      -0.011999     -0.309617      7.003290
  H       1.116210      0.945266      7.574801
  H      -3.482790     -0.440811      8.219721
  H      -2.112714     -1.037032      7.274958
  H      -2.480655      1.676639      8.652519
  H      -1.268242      0.439275      9.074199
  C      -3.331147      4.158388      6.678780
  C      -3.919320      5.426668      6.063473
  O      -5.042165      5.058302      5.203438
  C      -4.827810      4.953394      3.897549
  O      -3.802912      5.305514      3.317124
  C      -5.993800      4.302989      3.194728
  N      -6.504514      3.240874      3.801989
  C      -7.505933      2.589469      3.153083
  N      -8.052418      2.917110      1.999035
  C      -7.539316      4.010421      1.365689
  C      -8.084939      4.404390      0.119558
  C      -7.570700      5.499093     -0.540978
  C      -6.499366      6.242325      0.013969
  C      -5.945894      5.886596      1.225699
  C      -6.452768      4.762535      1.927476
  C      -0.723648     -0.524707      4.065515
  C      -0.480041     -0.619919      2.567723
  O      -1.558418     -0.006994      1.804010
  C      -2.701285     -0.738204      1.715260
  O      -2.864205     -1.824187      2.225173
  C      -3.769715     -0.010600      0.928131
  N      -5.003486     -0.362689      1.258411
  C      -6.021614      0.326686      0.689293
  N      -5.920384      1.388385     -0.089684
  C      -4.660971      1.755913     -0.456947
  C      -4.498456      2.903508     -1.275092
  C      -3.243182      3.268901     -1.708111
  C      -2.111391      2.487648     -1.368313
  C      -2.231770      1.379727     -0.554443
  C      -3.503373      1.013507     -0.033343
  C      -4.497946     -0.162151      5.829388
  C      -5.702247      0.059349      6.734265
  O      -5.894945      1.476272      6.965715
  C      -7.145478      1.961644      6.809527
  O      -8.096071      1.318323      6.402579
  C      -7.220398      3.407838      7.241204
  N      -6.362898      3.775944      8.185163
  C      -6.401188      5.072679      8.581087
  N      -7.145660      6.038882      8.079481
  C      -8.033732      5.678092      7.108061
  C      -8.851290      6.679922      6.529104
  C      -9.774924      6.342182      5.564240
  C      -9.923635      4.995554      5.153114
  C      -9.139688      3.998478      5.693721
  C      -8.160113      4.315718      6.669661
  H      -3.011077      4.403834      7.707801
  H      -4.150186      3.431894      6.791774
  H      -3.181100      5.996544      5.485741
  H      -4.374043      6.060042      6.834152
  H      -7.895436      1.702855      3.661788
  H      -8.905732      3.813656     -0.287912
  H      -7.990804      5.801168     -1.501677
  H      -6.112406      7.108715     -0.524389
  H      -5.120405      6.458304      1.648064
  H      -1.713884     -0.954804      4.276553
  H       0.004516     -1.189966      4.561488
  H      -0.395318     -1.672966      2.264963
  H       0.417594     -0.064658      2.268677
  H      -7.030616     -0.011572      0.940357
  H      -5.392741      3.462737     -1.552540
  H      -3.118835      4.149824     -2.339740
  H      -1.132654      2.759893     -1.766060
  H      -1.356210      0.780255     -0.316687
  H      -4.715426      0.241343      4.831387
  H      -4.369241     -1.256338      5.725158
  H      -6.599868     -0.365710      6.265928
  H      -5.569829     -0.398054      7.725687
  H      -5.715256      5.342562      9.390203
  H      -8.727522      7.705219      6.879445
  H     -10.406851      7.112973      5.120126
  H     -10.670726      4.742880      4.399158
  H      -9.270325      2.963494      5.388623
  N      -3.239792      1.885786      3.662126
  N      -2.976017      2.756422      2.542892
  H      -2.818606      3.745060      2.837701
  H      -2.180310      2.428316      1.963250
  H      -3.798111      2.788219      1.918528
100
Coordinates from ORCA-job orca E -6707.578444431899
  N      -2.211928      3.557855      5.965563
  Mo     -2.269375      1.713751      5.247490
  N      -3.265476      0.446906      6.321474
  C      -2.696594     -0.134530      7.539663
  C      -1.832166      0.892628      8.254413
  N      -0.922842      1.562230      7.295999
  C      -0.566390      2.952186      7.678634
  C      -0.902786      3.901780      6.516509
  C       0.250825      0.744439      6.921789
  C       0.591434      1.041443      5.461090
  N      -0.605933      0.833910      4.642246
  H      -0.139570      3.826103      5.727430
  H      -0.882435      4.950839      6.860601
  H       0.497868      3.024155      7.954419
  H      -1.150713      3.232955      8.565451
  H       1.415247      0.396192      5.114359
  H       0.945104      2.078882      5.361129
  H      -0.023319     -0.316437      7.015189
  H       1.103232      0.935754      7.597268
  H      -3.492980     -0.452714      8.232273
  H      -2.121361     -1.046329      7.288383
  H      -2.492716      1.665286      8.669946
  H      -1.278379      0.429052      9.090303
  C      -3.336818      4.162221      6.686190
  C      -3.917501      5.427772      6.058161
  O      -5.040011      5.057464      5.198465
  C      -4.823844      4.945089      3.893540
  O      -3.793867      5.282666      3.313701
  C      -5.992200      4.297748      3.191455
  N      -6.507908      3.239445      3.800715
  C      -7.512943      2.591917      3.153323
  N      -8.059194      2.920746      1.999647
  C      -7.541465      4.011198      1.364449
  C      -8.087731      4.406655      0.119260
  C      -7.569379      5.498614     -0.542842
  C      -6.493485      6.236850      0.009550
  C      -5.939315      5.879293      1.220452
  C      -6.450249      4.757962      1.923899
  C      -0.709706     -0.510453      4.051423
  C      -0.460248     -0.569425      2.552883
  O      -1.550133      0.034773      1.798679
  C      -2.672269     -0.726042      1.682069
  O      -2.803726     -1.831748      2.157876
  C      -3.755793     -0.005158      0.911081
  N      -4.983412     -0.362356      1.258186
  C      -6.011450      0.319672      0.696842
  N      -5.924436      1.376081     -0.090992
  C      -4.671396      1.749069     -0.474325
  C      -4.523271      2.890621     -1.303245
  C      -3.273757      3.258682     -1.750972
  C      -2.134294      2.487150     -1.415023
  C      -2.240670      1.385588     -0.590731
  C      -3.505424      1.016637     -0.056742
  C      -4.507017     -0.166807      5.843825
  C      -5.710396      0.057807      6.748768
  O      -5.900020      1.475498      6.978432
  C      -7.148336      1.965115      6.819715
  O      -8.100246      1.326018      6.409000
  C      -7.217533      3.412594      7.247961
  N      -6.357759      3.780222      8.189765
  C      -6.390189      5.078289      8.581719
  N      -7.130730      6.046090      8.077168
  C      -8.021378      5.685643      7.107939
  C      -8.834904      6.689121      6.525969
  C      -9.761727      6.351840      5.564019
  C      -9.918085      5.004083      5.159268
  C      -9.138153      4.005550      5.702800
  C      -8.154686      4.322270      6.675137
  H      -3.017925      4.414636      7.713810
  H      -4.159329      3.440169      6.803120
  H      -3.174504      5.987729      5.476844
  H      -4.370260      6.071746      6.821257
  H      -7.906970      1.708399      3.663787
  H      -8.912085      3.819566     -0.286162
  H      -7.989842      5.802153     -1.502934
  H      -6.103811      7.101181     -0.530176
  H      -5.110592      6.447370      1.641058
  H      -1.695998     -0.954726      4.252180
  H       0.024938     -1.177704      4.534704
  H      -0.351202     -1.613300      2.227429
  H       0.425290      0.012663      2.268804
  H      -7.015905     -0.020601      0.962722
  H      -5.422967      3.442735     -1.577215
  H      -3.160383      4.134742     -2.391357
  H      -1.161065      2.762052     -1.824307
  H      -1.360728      0.791583     -0.355217
  H      -4.722821      0.237129      4.845549
  H      -4.382125     -1.261724      5.740994
  H      -6.608716     -0.367093      6.281657
  H      -5.578235     -0.397641      7.741100
  H      -5.703235      5.347347      9.390236
  H      -8.705580      7.715184      6.872012
  H     -10.390547      7.123813      5.117566
  H     -10.667991      4.751915      4.407946
  H      -9.274590      2.969760      5.403080
  N      -3.243598      1.877800      3.677465
  N      -2.965935      2.733578      2.549281
  H      -2.812601      3.724312      2.838002
  H      -2.159223      2.399058      1.988362
  H      -3.778929      2.756976      1.913128
100
Coordinates from ORCA-job orca E -6707.579067996663
  N      -2.213632      3.553449      5.986626
  Mo     -2.272755      1.709275      5.267659
  N      -3.269850      0.441666      6.340766
  C      -2.699050     -0.142805      7.557105
  C      -1.833472      0.882832      8.272760
  N      -0.926887      1.554500      7.312650
  C      -0.568747      2.943191      7.698269
  C      -0.903199      3.894638      6.537932
  C       0.246042      0.736862      6.935266
  C       0.588488      1.039999      5.476457
  N      -0.608406      0.836574      4.655040
  H      -0.139438      3.818822      5.749442
  H      -0.881670      4.942949      6.883881
  H       0.495280      3.012208      7.975885
  H      -1.154486      3.222585      8.584565
  H       1.412325      0.395692      5.128391
  H       0.943932      2.077376      5.381638
  H      -0.030121     -0.324021      7.022116
  H       1.098091      0.923424      7.612531
  H      -3.495006     -0.462745      8.249383
  H      -2.124562     -1.053807      7.301771
  H      -2.492645      1.654524      8.692099
  H      -1.276299      0.417396      9.105293
  C      -3.336939      4.166148      6.702666
  C      -3.914156      5.427560      6.063052
  O      -5.035472      5.053969      5.202934
  C      -4.815912      4.933965      3.899331
  O      -3.782441      5.261813      3.320321
  C      -5.986453      4.291920      3.195728
  N      -6.508114      3.236625      3.804506
  C      -7.514584      2.593080      3.155386
  N      -8.056893      2.923236      2.000453
  C      -7.534323      4.012488      1.366455
  C      -8.078868      4.410665      0.121505
  C      -7.556207      5.501428     -0.539189
  C      -6.477773      6.234931      0.014165
  C      -5.925221      5.874516      1.224939
  C      -6.440766      4.754362      1.927370
  C      -0.700561     -0.495589      4.036563
  C      -0.445959     -0.522592      2.538034
  O      -1.544616      0.074443      1.790741
  C      -2.648893     -0.709560      1.651247
  O      -2.751821     -1.831146      2.095540
  C      -3.749367      0.006052      0.899628
  N      -4.969240     -0.356351      1.267368
  C      -6.009196      0.317650      0.716353
  N      -5.939762      1.364780     -0.085111
  C      -4.694400      1.743431     -0.488278
  C      -4.564795      2.874675     -1.333775
  C      -3.322628      3.246473     -1.799340
  C      -2.173263      2.490134     -1.463448
  C      -2.261748      1.399061     -0.623400
  C      -3.518197      1.025190     -0.075086
  C      -4.511455     -0.171554      5.862708
  C      -5.715671      0.056663      6.765389
  O      -5.905821      1.475459      6.988971
  C      -7.152338      1.966019      6.822171
  O      -8.103193      1.326952      6.408692
  C      -7.221688      3.414592      7.247687
  N      -6.366207      3.782535      8.192980
  C      -6.397083      5.081826      8.581291
  N      -7.131386      6.050320      8.069384
  C      -8.017628      5.689716      7.096062
  C      -8.823849      6.694352      6.505965
  C      -9.745980      6.357334      5.539519
  C      -9.904918      5.008862      5.138046
  C      -9.131946      4.009223      5.689338
  C      -8.153128      4.325461      6.666802
  H      -3.016597      4.425375      7.728021
  H      -4.161291      3.447102      6.825205
  H      -3.168069      5.980029      5.478499
  H      -4.366810      6.080326      6.818784
  H      -7.911527      1.709852      3.664022
  H      -8.905133      3.827205     -0.285132
  H      -7.975181      5.807620     -1.499108
  H      -6.084976      7.098345     -0.524800
  H      -5.095048      6.439771      1.646272
  H      -1.683144     -0.951993      4.228685
  H       0.039718     -1.166024      4.506729
  H      -0.315685     -1.557924      2.193990
  H       0.429591      0.080715      2.267176
  H      -7.007421     -0.026271      1.000188
  H      -5.472036      3.414805     -1.606489
  H      -3.222855      4.114100     -2.453301
  H      -1.206551      2.769005     -1.885371
  H      -1.375154      0.814929     -0.387322
  H      -4.724593      0.230556      4.863111
  H      -4.387245     -1.266931      5.762570
  H      -6.613214     -0.370474      6.298890
  H      -5.585513     -0.394276      7.760037
  H      -5.713243      5.350626      9.392502
  H      -8.692987      7.721104      6.849377
  H     -10.369091      7.130182      5.086605
  H     -10.651202      4.757456      4.382908
  H      -9.270157      2.973097      5.391878
  N      -3.251505      1.872054      3.699417
  N      -2.960442      2.713718      2.562203
  H      -2.812594      3.706862      2.844795
  H      -2.143914      2.373757      2.019581
  H      -3.764978      2.728810      1.915707
100
Coordinates from ORCA-job orca E -6707.579652450214
  N      -2.216903      3.551314      6.006062
  Mo     -2.278184      1.706713      5.285254
  N      -3.277184      0.437689      6.353831
  C      -2.707656     -0.150051      7.569527
  C      -1.842101      0.873648      8.288220
  N      -0.936011      1.547606      7.329234
  C      -0.576026      2.934544      7.718565
  C      -0.906446      3.888609      6.559551
  C       0.236454      0.729639      6.949875
  C       0.582688      1.038885      5.493374
  N      -0.612915      0.840167      4.667860
  H      -0.141546      3.813104      5.772252
  H      -0.884430      4.935984      6.908268
  H       0.487173      3.000185      8.000267
  H      -1.164749      3.213202      8.603172
  H       1.406288      0.394328      5.145278
  H       0.940887      2.075678      5.403208
  H      -0.041874     -0.331109      7.030058
  H       1.087468      0.911189      7.629822
  H      -3.504834     -0.471049      8.259897
  H      -2.133508     -1.060369      7.311575
  H      -2.500858      1.644185      8.710202
  H      -1.284015      0.405521      9.118615
  C      -3.341274      4.169158      6.715360
  C      -3.916858      5.425584      6.064759
  O      -5.036033      5.048046      5.203212
  C      -4.813098      4.922075      3.900816
  O      -3.775665      5.240421      3.323552
  C      -5.984532      4.282283      3.196715
  N      -6.512477      3.232061      3.808398
  C      -7.520318      2.590715      3.159507
  N      -8.059023      2.919317      2.002613
  C      -7.530926      4.004561      1.366249
  C      -8.073204      4.401927      0.119952
  C      -7.545753      5.488918     -0.542895
  C      -6.464836      6.219439      0.009455
  C      -5.914444      5.859939      1.221416
  C      -6.434699      4.743140      1.926126
  C      -0.694820     -0.479728      4.023598
  C      -0.429046     -0.478427      2.526706
  O      -1.532904      0.112993      1.781822
  C      -2.619206     -0.692217      1.617622
  O      -2.697915     -1.827059      2.031487
  C      -3.735114      0.018386      0.883194
  N      -4.947443     -0.349561      1.269352
  C      -5.998284      0.316190      0.726796
  N      -5.945599      1.353704     -0.087638
  C      -4.707500      1.737951     -0.508670
  C      -4.595999      2.857708     -1.371271
  C      -3.361002      3.234946     -1.851641
  C      -2.201206      2.496490     -1.512309
  C      -2.272120      1.416330     -0.656930
  C      -3.521539      1.035282     -0.097075
  C      -4.518877     -0.173953      5.873119
  C      -5.723493      0.057849      6.774092
  O      -5.910010      1.477540      6.995608
  C      -7.154651      1.971710      6.827218
  O      -8.107496      1.335661      6.413536
  C      -7.219471      3.420741      7.252432
  N      -6.363312      3.786241      8.197904
  C      -6.389603      5.086199      8.584968
  N      -7.119804      6.056766      8.071621
  C      -8.006941      5.698480      7.098074
  C      -8.808903      6.705420      6.506290
  C      -9.732091      6.370542      5.540118
  C      -9.896693      5.022116      5.140725
  C      -9.127842      4.020208      5.693670
  C      -8.147762      4.334242      6.670554
  H      -3.022439      4.435150      7.739397
  H      -4.165966      3.450911      6.841321
  H      -3.168663      5.973248      5.478345
  H      -4.371879      6.084569      6.813656
  H      -7.922066      1.711155      3.670652
  H      -8.901717      3.821385     -0.286280
  H      -7.963135      5.794963     -1.503570
  H      -6.068489      7.080206     -0.531159
  H      -5.083224      6.424227      1.641882
  H      -1.675732     -0.945142      4.202126
  H       0.046373     -1.155497      4.484873
  H      -0.279195     -1.505803      2.167551
  H       0.439004      0.142084      2.271092
  H      -6.990147     -0.029865      1.029755
  H      -5.510933      3.384216     -1.644897
  H      -3.274390      4.093655     -2.519089
  H      -1.240448      2.781172     -1.943841
  H      -1.377539      0.845256     -0.418131
  H      -4.729455      0.228411      4.873108
  H      -4.394982     -1.269365      5.772712
  H      -6.621850     -0.367316      6.307398
  H      -5.596037     -0.392169      7.769522
  H      -5.706257      5.352282      9.397530
  H      -8.674344      7.732263      6.847987
  H     -10.351962      7.145193      5.085824
  H     -10.644028      4.772923      4.385922
  H      -9.270505      2.984194      5.397891
  N      -3.258730      1.868882      3.717802
  N      -2.950279      2.695696      2.572203
  H      -2.810567      3.692678      2.845471
  H      -2.123876      2.347589      2.050703
  H      -3.744244      2.702112      1.912882
100
Coordinates from ORCA-job orca E -6707.580188784833
  N      -2.213645      3.549761      6.023644
  Mo     -2.281673      1.704265      5.302643
  N      -3.282492      0.436277      6.368694
  C      -2.713460     -0.154650      7.583396
  C      -1.845115      0.866170      8.302772
  N      -0.939639      1.540177      7.343313
  C      -0.574852      2.925391      7.734778
  C      -0.902351      3.882070      6.576902
  C       0.230491      0.719805      6.960811
  C       0.577960      1.032624      5.505472
  N      -0.618289      0.839443      4.678659
  H      -0.138028      3.805845      5.789152
  H      -0.877878      4.928792      6.927541
  H       0.488210      2.986688      8.017972
  H      -1.163785      3.205014      8.618991
  H       1.399439      0.385752      5.156632
  H       0.940345      2.068137      5.417656
  H      -0.051199     -0.340312      7.036759
  H       1.081965      0.896315      7.641477
  H      -3.511123     -0.474808      8.273539
  H      -2.141297     -1.065523      7.323174
  H      -2.501729      1.637110      8.727360
  H      -1.286164      0.395268      9.131004
  C      -3.337448      4.173361      6.727989
  C      -3.911818      5.425214      6.068287
  O      -5.029701      5.043554      5.206504
  C      -4.805476      4.911911      3.905055
  O      -3.766195      5.225112      3.328017
  C      -5.979525      4.276499      3.201399
  N      -6.513645      3.230240      3.814430
  C      -7.523397      2.592422      3.165002
  N      -8.058204      2.921163      2.006317
  C      -7.524585      4.003267      1.369355
  C      -8.063748      4.401849      0.121982
  C      -7.531269      5.486188     -0.541095
  C      -6.448048      6.212844      0.011939
  C      -5.900511      5.852053      1.224787
  C      -6.425957      4.737852      1.929704
  C      -0.692681     -0.468315      4.010908
  C      -0.415269     -0.441402      2.515709
  O      -1.522130      0.146518      1.770813
  C      -2.593848     -0.674556      1.585389
  O      -2.652285     -1.819773      1.971665
  C      -3.723202      0.032647      0.868681
  N      -4.928021     -0.339401      1.273732
  C      -5.989078      0.318345      0.739541
  N      -5.952761      1.343350     -0.090912
  C      -4.721915      1.731168     -0.530600
  C      -4.627850      2.836191     -1.413630
  C      -3.399884      3.218233     -1.908033
  C      -2.229315      2.500523     -1.560707
  C      -2.283707      1.434257     -0.687318
  C      -3.526541      1.046132     -0.117875
  C      -4.525399     -0.173743      5.887825
  C      -5.729361      0.061449      6.788693
  O      -5.915074      1.481730      7.006819
  C      -7.159292      1.975791      6.834705
  O      -8.111501      1.338741      6.421116
  C      -7.225265      3.425661      7.257325
  N      -6.371588      3.792477      8.204535
  C      -6.398351      5.093433      8.588903
  N      -7.125795      6.063356      8.071026
  C      -8.010550      5.703716      7.095708
  C      -8.809716      6.709997      6.499296
  C      -9.730541      6.373653      5.531328
  C      -9.895413      5.024521      5.134670
  C      -9.128981      4.023128      5.692067
  C      -8.151454      4.338602      6.670907
  H      -3.018579      4.446791      7.750045
  H      -4.162354      3.456199      6.859287
  H      -3.162408      5.969093      5.479894
  H      -4.368622      6.088726      6.812111
  H      -7.929753      1.715467      3.677062
  H      -8.894290      3.824742     -0.285046
  H      -7.946434      5.793437     -1.502353
  H      -6.047637      7.071684     -0.528741
  H      -5.068026      6.414190      1.645687
  H      -1.673414     -0.939360      4.174730
  H       0.046862     -1.151033      4.464842
  H      -0.249245     -1.461311      2.143110
  H       0.446768      0.193308      2.275384
  H      -6.974610     -0.027554      1.062735
  H      -5.550168      3.348020     -1.690215
  H      -3.326204      4.065702     -2.591226
  H      -1.273763      2.790596     -2.000091
  H      -1.380975      0.878656     -0.441553
  H      -4.734933      0.227965      4.887345
  H      -4.402179     -1.269164      5.787821
  H      -6.628793     -0.363693      6.323992
  H      -5.601635     -0.386299      7.785128
  H      -5.716479      5.360546      9.402365
  H      -8.675418      7.737639      6.838683
  H     -10.348339      7.147823      5.073387
  H     -10.640960      4.774514      4.378370
  H      -9.271882      2.986612      5.398182
  N      -3.264491      1.868476      3.736858
  N      -2.940397      2.679304      2.583218
  H      -2.808078      3.680560      2.845404
  H      -2.105162      2.321979      2.083035
  H      -3.723565      2.676026      1.911063
100
Coordinates from ORCA-job orca E -6707.580660206748
  N      -2.213590      3.548799      6.039392
  Mo     -2.288711      1.702554      5.317850
  N      -3.290776      0.433770      6.379689
  C      -2.723951     -0.159432      7.594401
  C      -1.853855      0.858976      8.315331
  N      -0.947533      1.533307      7.357322
  C      -0.579327      2.916776      7.751631
  C      -0.902851      3.876471      6.594820
  C       0.220815      0.711376      6.971935
  C       0.570061      1.027806      5.517824
  N      -0.626442      0.840394      4.689068
  H      -0.137950      3.800506      5.807590
  H      -0.876500      4.922353      6.948022
  H       0.483197      2.974739      8.037606
  H      -1.169570      3.196974      8.634835
  H       1.389315      0.378469      5.168372
  H       0.936468      2.062097      5.432666
  H      -0.063262     -0.348323      7.044244
  H       1.072567      0.883707      7.653316
  H      -3.522577     -0.478301      8.283991
  H      -2.153177     -1.071121      7.333981
  H      -2.509430      1.630272      8.740988
  H      -1.296090      0.385614      9.143007
  C      -3.338571      4.176057      6.737754
  C      -3.912947      5.423264      6.069653
  O      -5.028945      5.036277      5.207547
  C      -4.803048      4.899935      3.906961
  O      -3.762505      5.211122      3.330814
  C      -5.977849      4.265631      3.203777
  N      -6.517499      3.224015      3.819903
  C      -7.528243      2.587641      3.170736
  N      -8.058795      2.913620      2.009165
  C      -7.519829      3.991082      1.369437
  C      -8.054374      4.387321      0.119190
  C      -7.516967      5.467652     -0.546325
  C      -6.432915      6.192972      0.007048
  C      -5.889668      5.834426      1.222491
  C      -6.420005      4.724134      1.929687
  C      -0.692871     -0.455322      3.998669
  C      -0.399138     -0.403441      2.506577
  O      -1.508086      0.180778      1.759633
  C      -2.564035     -0.656383      1.550241
  O      -2.603072     -1.811195      1.908494
  C      -3.705721      0.046764      0.849313
  N      -4.903175     -0.331835      1.270202
  C      -5.974429      0.317226      0.744416
  N      -5.954606      1.331612     -0.099033
  C      -4.731217      1.725222     -0.554585
  C      -4.654925      2.817738     -1.454474
  C      -3.434217      3.208051     -1.959975
  C      -2.252059      2.512817     -1.605263
  C      -2.289556      1.458177     -0.717363
  C      -3.525963      1.059044     -0.141194
  C      -4.534949     -0.174159      5.898463
  C      -5.738011      0.064531      6.799541
  O      -5.919896      1.485365      7.016738
  C      -7.162976      1.982763      6.844166
  O      -8.117065      1.347991      6.431492
  C      -7.224640      3.433207      7.264980
  N      -6.369464      3.798351      8.211592
  C      -6.392225      5.099923      8.594460
  N      -7.116792      6.071428      8.075654
  C      -8.003076      5.713419      7.101086
  C      -8.799557      6.721209      6.503846
  C      -9.722396      6.386206      5.537217
  C      -9.891982      5.037037      5.142930
  C      -9.127973      4.034096      5.701065
  C      -8.148510      4.348147      6.678182
  H      -3.021566      4.457405      7.758338
  H      -4.162996      3.459041      6.873675
  H      -3.163143      5.964985      5.479839
  H      -4.372540      6.089620      6.809195
  H      -7.940175      1.715476      3.686488
  H      -8.885941      3.811738     -0.287983
  H      -7.928888      5.773050     -1.509568
  H      -6.028417      7.048894     -0.535191
  H      -5.056932      6.396159      1.643507
  H      -1.675162     -0.929398      4.142579
  H       0.041291     -1.146281      4.448992
  H      -0.216909     -1.415458      2.120815
  H       0.456778      0.245668      2.284061
  H      -6.953555     -0.028906      1.086415
  H      -5.584699      3.314593     -1.733345
  H      -3.374148      4.046137     -2.655966
  H      -1.301602      2.811578     -2.049738
  H      -1.377584      0.920641     -0.464539
  H      -4.743821      0.227850      4.897936
  H      -4.413199     -1.269624      5.798185
  H      -6.639276     -0.358170      6.336194
  H      -5.610226     -0.382947      7.796106
  H      -5.710418      5.365556      9.408492
  H      -8.662041      7.749013      6.841452
  H     -10.338281      7.161590      5.078755
  H     -10.639218      4.788140      4.387925
  H      -9.274767      2.997594      5.409090
  N      -3.271546      1.869594      3.753356
  N      -2.931409      2.665083      2.593121
  H      -2.806992      3.670955      2.842509
  H      -2.088049      2.297513      2.114450
  H      -3.702429      2.650420      1.906879
100
Coordinates from ORCA-job orca E -6707.581061045993
  N      -2.208718      3.547527      6.053815
  Mo     -2.295249      1.700346      5.333600
  N      -3.297655      0.432365      6.394750
  C      -2.730970     -0.162311      7.608850
  C      -1.856510      0.853598      8.328199
  N      -0.950149      1.525929      7.369045
  C      -0.576229      2.907635      7.764567
  C      -0.897215      3.869991      6.609071
  C       0.214399      0.700705      6.979261
  C       0.562421      1.018183      5.525095
  N      -0.636508      0.837375      4.697562
  H      -0.132992      3.793076      5.821191
  H      -0.866820      4.915184      6.964059
  H       0.486597      2.961524      8.050298
  H      -1.165046      3.189318      8.648254
  H       1.377698      0.364932      5.173810
  H       0.933938      2.050771      5.440923
  H      -0.073129     -0.358159      7.050407
  H       1.068246      0.868966      7.659010
  H      -3.529208     -0.478377      8.300141
  H      -2.163208     -1.075891      7.348292
  H      -2.509293      1.626772      8.754829
  H      -1.299144      0.378487      9.155178
  C      -3.332273      4.180121      6.749244
  C      -3.906262      5.423711      6.074192
  O      -5.021359      5.032276      5.212630
  C      -4.795120      4.892082      3.912515
  O      -3.754139      5.202210      3.336351
  C      -5.970924      4.258826      3.210071
  N      -6.514855      3.220512      3.828173
  C      -7.526449      2.585411      3.179049
  N      -8.053619      2.909388      2.015197
  C      -7.511219      3.984108      1.374101
  C      -8.042834      4.379472      0.122302
  C      -7.502680      5.457929     -0.544050
  C      -6.418091      6.182106      0.009855
  C      -5.877327      5.824097      1.226608
  C      -6.410590      4.715924      1.934688
  C      -0.697978     -0.447045      3.986733
  C      -0.386595     -0.373413      2.498233
  O      -1.495023      0.208926      1.746881
  C      -2.538365     -0.639481      1.515171
  O      -2.560467     -1.802443      1.846884
  C      -3.690565      0.061669      0.830005
  N      -4.880749     -0.323608      1.265617
  C      -5.962013      0.315996      0.748078
  N      -5.958793      1.318762     -0.109221
  C      -4.743063      1.718497     -0.579669
  C      -4.684732      2.797102     -1.497424
  C      -3.471302      3.196827     -2.012760
  C      -2.277372      2.526948     -1.648060
  C      -2.298039      1.485219     -0.744699
  C      -3.527693      1.073317     -0.163951
  C      -4.543732     -0.173636      5.915763
  C      -5.745326      0.068438      6.817895
  O      -5.925753      1.489786      7.031830
  C      -7.168064      1.987876      6.854133
  O      -8.121135      1.352428      6.440277
  C      -7.230307      3.439322      7.270990
  N      -6.378459      3.806143      8.220078
  C      -6.402141      5.108545      8.600035
  N      -7.123942      6.079359      8.076028
  C      -8.006775      5.719676      7.099003
  C      -8.800418      6.726486      6.496443
  C      -9.720080      6.389728      5.527309
  C      -9.889002      5.039755      5.135710
  C      -9.127472      4.037689      5.698921
  C      -8.151432      4.353464      6.678767
  H      -3.014185      4.469200      7.767420
  H      -4.157295      3.465015      6.892094
  H      -3.156076      5.962979      5.482695
  H      -4.366973      6.092792      6.810562
  H      -7.942404      1.716405      3.696973
  H      -8.874996      3.804826     -0.285028
  H      -7.912696      5.762626     -1.508332
  H      -6.011177      7.036616     -0.532782
  H      -5.044307      6.385163      1.647987
  H      -1.683640     -0.919667      4.110322
  H       0.027934     -1.147663      4.435494
  H      -0.190920     -1.378123      2.100676
  H       0.464317      0.287873      2.293682
  H      -6.934713     -0.029614      1.108408
  H      -5.621984      3.277282     -1.780213
  H      -3.425311      4.024308     -2.722394
  H      -1.331721      2.835435     -2.096026
  H      -1.376814      0.968227     -0.481836
  H      -4.752921      0.227668      4.914974
  H      -4.424239     -1.269399      5.816776
  H      -6.647874     -0.354373      6.357065
  H      -5.616025     -0.376711      7.815309
  H      -5.722798      5.376002      9.415512
  H      -8.663579      7.755046      6.832015
  H     -10.333830      7.164411      5.064825
  H     -10.633688      4.789306      4.378685
  H      -9.273791      3.000589      5.408728
  N      -3.279589      1.872250      3.771558
  N      -2.926163      2.653892      2.605926
  H      -2.808356      3.663566      2.843736
  H      -2.075191      2.278274      2.146955
  H      -3.685489      2.626558      1.906920
100
Coordinates from ORCA-job orca E -6707.581392899996
  N      -2.210386      3.546553      6.067216
  Mo     -2.306782      1.699255      5.346828
  N      -3.309081      0.429898      6.406551
  C      -2.742834     -0.165490      7.620382
  C      -1.865192      0.848557      8.338803
  N      -0.958185      1.519596      7.379555
  C      -0.580142      2.899458      7.777122
  C      -0.898623      3.864782      6.623502
  C       0.203111      0.692069      6.985487
  C       0.550548      1.011345      5.531558
  N      -0.650299      0.837343      4.704610
  H      -0.134233      3.787921      5.835700
  H      -0.865228      4.909030      6.980969
  H       0.482829      2.950058      8.063108
  H      -1.168327      3.181355      8.661155
  H       1.362178      0.354766      5.178300
  H       0.926827      2.042414      5.449492
  H      -0.087078     -0.366170      7.055178
  H       1.058860      0.856659      7.663766
  H      -3.540823     -0.479054      8.313136
  H      -2.177547     -1.080783      7.360384
  H      -2.516109      1.623193      8.765666
  H      -1.308861      0.372149      9.165798
  C      -3.333090      4.182821      6.760864
  C      -3.909138      5.422229      6.079551
  O      -5.023267      5.024775      5.219417
  C      -4.796270      4.881271      3.919811
  O      -3.756065      5.193625      3.343320
  C      -5.970811      4.245174      3.217969
  N      -6.517743      3.210703      3.839773
  C      -7.526679      2.572124      3.190193
  N      -8.048439      2.888806      2.021770
  C      -7.503554      3.959958      1.377019
  C      -8.029525      4.348218      0.120626
  C      -7.486958      5.423281     -0.549224
  C      -6.404966      6.150774      0.005428
  C      -5.869380      5.799388      1.226413
  C      -6.405479      4.695163      1.938400
  C      -0.706387     -0.435893      3.973845
  C      -0.373278     -0.341294      2.490585
  O      -1.479710      0.238731      1.732634
  C      -2.508797     -0.620797      1.474633
  O      -2.513494     -1.791474      1.778255
  C      -3.670332      0.078427      0.803602
  N      -4.854042     -0.315145      1.249758
  C      -5.944308      0.315226      0.739392
  N      -5.956132      1.307570     -0.129885
  C      -4.747292      1.715244     -0.610795
  C      -4.705171      2.781932     -1.543170
  C      -3.498004      3.193286     -2.064035
  C      -2.293266      2.549283     -1.688233
  C      -2.298624      1.518377     -0.772377
  C      -3.522475      1.091352     -0.191024
  C      -4.556900     -0.173562      5.929447
  C      -5.756585      0.071981      6.833319
  O      -5.932952      1.493893      7.046606
  C      -7.173166      1.996768      6.866653
  O      -8.128270      1.364629      6.452396
  C      -7.229455      3.448902      7.281387
  N      -6.375492      3.813551      8.229484
  C      -6.393524      5.116395      8.607721
  N      -7.111580      6.089623      8.082687
  C      -7.996195      5.732317      7.106484
  C      -8.785831      6.741601      6.502738
  C      -9.707677      6.407339      5.534803
  C      -9.882859      5.057453      5.145679
  C      -9.125249      4.053004      5.709926
  C      -8.146969      4.366068      6.688417
  H      -3.013429      4.479370      7.776453
  H      -4.158061      3.468924      6.910883
  H      -3.159676      5.959997      5.485854
  H      -4.371235      6.093689      6.812878
  H      -7.945789      1.707037      3.712074
  H      -8.859655      3.770797     -0.286938
  H      -7.892923      5.722459     -1.516945
  H      -5.995816      7.002462     -0.539943
  H      -5.038163      6.362782      1.648262
  H      -1.696597     -0.904246      4.074424
  H       0.008468     -1.146980      4.423786
  H      -0.162908     -1.338349      2.082045
  H       0.472367      0.332371      2.306013
  H      -6.911359     -0.031721      1.113375
  H      -5.649238      3.245248     -1.831190
  H      -3.464947      4.011671     -2.784853
  H      -1.351751      2.869600     -2.136528
  H      -1.368691      1.022738     -0.498460
  H      -4.766700      0.228156      4.928914
  H      -4.440525     -1.269755      5.830987
  H      -6.660846     -0.349081      6.374326
  H      -5.626307     -0.372560      7.830857
  H      -5.713859      5.382134      9.423500
  H      -8.644230      7.770066      6.836629
  H     -10.318365      7.183998      5.071592
  H     -10.629326      4.808735      4.389829
  H      -9.276639      3.016101      5.421783
  N      -3.290541      1.877137      3.786170
  N      -2.922702      2.647031      2.616708
  H      -2.812318      3.660161      2.844008
  H      -2.064044      2.265323      2.177196
  H      -3.669207      2.605908      1.904598
100
Coordinates from ORCA-job orca E -6707.581657361153
  N      -2.204954      3.545537      6.079627
  Mo     -2.317147      1.697694      5.361965
  N      -3.317106      0.428548      6.425125
  C      -2.747912     -0.166720      7.637379
  C      -1.864090      0.845508      8.350626
  N      -0.958640      1.512871      7.387220
  C      -0.572922      2.890685      7.784486
  C      -0.890718      3.858137      6.632639
  C       0.196795      0.680759      6.986431
  C       0.539453      0.999637      5.531183
  N      -0.666277      0.833313      4.709250
  H      -0.128626      3.778914      5.842777
  H      -0.851538      4.901848      6.990977
  H       0.491219      2.936433      8.067047
  H      -1.157101      3.174328      8.670583
  H       1.345308      0.338159      5.174077
  H       0.921854      2.028497      5.449027
  H      -0.097505     -0.376300      7.057019
  H       1.056838      0.841263      7.660255
  H      -3.543766     -0.476416      8.334374
  H      -2.186794     -1.084518      7.377022
  H      -2.511030      1.622946      8.778435
  H      -1.306392      0.368744      9.176530
  C      -3.323724      4.188230      6.774206
  C      -3.899439      5.425141      6.087833
  O      -5.013386      5.024653      5.228602
  C      -4.786848      4.880048      3.928854
  O      -3.746094      5.190723      3.352349
  C      -5.960721      4.241983      3.227415
  N      -6.511789      3.212119      3.853295
  C      -7.519199      2.570979      3.204048
  N      -8.036502      2.881310      2.031884
  C      -7.489585      3.949518      1.383821
  C      -8.013030      4.332761      0.124861
  C      -7.469606      5.405492     -0.547907
  C      -6.388768      6.135118      0.006015
  C      -5.855274      5.788386      1.229259
  C      -6.392379      4.686687      1.944692
  C      -0.721922     -0.430126      3.961778
  C      -0.367055     -0.319106      2.483990
  O      -1.469412      0.261051      1.718971
  C      -2.486191     -0.606241      1.436241
  O      -2.475573     -1.783679      1.712841
  C      -3.656219      0.092676      0.779904
  N      -4.833593     -0.308994      1.235846
  C      -5.932369      0.311953      0.732416
  N      -5.958716      1.294925     -0.147284
  C      -4.756684      1.710650     -0.637846
  C      -4.730456      2.765939     -1.583576
  C      -3.529647      3.189473     -2.109426
  C      -2.314737      2.571222     -1.723538
  C      -2.304757      1.550273     -0.796619
  C      -3.522691      1.107511     -0.214600
  C      -4.566945     -0.173045      5.952062
  C      -5.764878      0.075599      6.857591
  O      -5.940016      1.498007      7.067075
  C      -7.179080      2.001078      6.879982
  O      -8.132404      1.367764      6.463460
  C      -7.237030      3.454523      7.289469
  N      -6.388189      3.822533      8.240925
  C      -6.408702      5.126380      8.615043
  N      -7.124415      6.097809      8.083176
  C      -8.003592      5.737096      7.103404
  C      -8.790284      6.744233      6.492141
  C      -9.706566      6.406736      5.520092
  C      -9.878869      5.055575      5.133977
  C      -9.124042      4.053170      5.705480
  C      -8.151491      4.369515      6.688710
  H      -2.999466      4.490675      7.786574
  H      -4.150489      3.477948      6.932340
  H      -3.149510      5.960388      5.492488
  H      -4.361092      6.099511      6.818748
  H      -7.941317      1.709401      3.729401
  H      -8.842294      3.753389     -0.281671
  H      -7.874036      5.700988     -1.517414
  H      -5.978857      6.984961     -0.541663
  H      -5.025120      6.353548      1.650650
  H      -1.718387     -0.888927      4.041429
  H      -0.021141     -1.153473      4.414234
  H      -0.144999     -1.309834      2.066893
  H       0.475188      0.363451      2.317770
  H      -6.893844     -0.034990      1.120436
  H      -5.681092      3.212329     -1.876354
  H      -3.509495      3.999263     -2.840360
  H      -1.377557      2.903706     -2.172013
  H      -1.366534      1.075952     -0.512766
  H      -4.778317      0.227762      4.951475
  H      -4.453473     -1.269759      5.855536
  H      -6.669894     -0.346354      6.400824
  H      -5.633224     -0.366208      7.856134
  H      -5.733059      5.395415      9.433072
  H      -8.650774      7.773708      6.823801
  H     -10.314886      7.181809      5.051143
  H     -10.620855      4.804027      4.374652
  H      -9.273016      3.015329      5.419237
  N      -3.303282      1.883156      3.804703
  N      -2.923674      2.642372      2.631876
  H      -2.819895      3.658218      2.849774
  H      -2.058282      2.256169      2.209356
  H      -3.659175      2.587774      1.909542
100
Coordinates from ORCA-job orca E -6707.581845421767
  N      -2.213087      3.543879      6.090780
  Mo     -2.332433      1.697102      5.371848
  N      -3.331992      0.427259      6.437083
  C      -2.760459     -0.167926      7.648123
  C      -1.872161      0.842668      8.358244
  N      -0.967295      1.507910      7.392682
  C      -0.577168      2.884250      7.790364
  C      -0.896699      3.853713      6.640966
  C       0.184254      0.673225      6.987251
  C       0.524759      0.993532      5.531942
  N      -0.683759      0.833311      4.712618
  H      -0.136390      3.774216      5.849368
  H      -0.854965      4.896831      7.000590
  H       0.488013      2.926951      8.069617
  H      -1.158118      3.167698      8.678613
  H       1.326799      0.329057      5.172046
  H       0.911778      2.020846      5.451363
  H      -0.112798     -0.383109      7.056959
  H       1.046924      0.830293      7.658560
  H      -3.554881     -0.474708      8.348139
  H      -2.202741     -1.087645      7.387204
  H      -2.516296      1.621953      8.786873
  H      -1.313714      0.365278      9.183313
  C      -3.328778      4.189236      6.788636
  C      -3.910938      5.420787      6.098312
  O      -5.024072      5.012173      5.242184
  C      -4.797376      4.865633      3.942932
  O      -3.760046      5.184255      3.364434
  C      -5.968395      4.222451      3.241749
  N      -6.519719      3.194497      3.870142
  C      -7.519539      2.545037      3.217910
  N      -8.029731      2.845475      2.039958
  C      -7.484099      3.913360      1.389988
  C      -8.001858      4.287839      0.126076
  C      -7.459102      5.359634     -0.548686
  C      -6.383928      6.095859      0.007444
  C      -5.855899      5.757368      1.235321
  C      -6.393611      4.657961      1.953798
  C      -0.735735     -0.420707      3.949522
  C      -0.356342     -0.293397      2.478561
  O      -1.452101      0.286881      1.703005
  C      -2.456219     -0.586439      1.392932
  O      -2.430840     -1.769099      1.642812
  C      -3.631794      0.111748      0.746648
  N      -4.805004     -0.296738      1.207502
  C      -5.909420      0.315237      0.705170
  N      -5.945695      1.285546     -0.188322
  C      -4.747901      1.708228     -0.683019
  C      -4.731665      2.749842     -1.643813
  C      -3.533922      3.184220     -2.168132
  C      -2.311977      2.592454     -1.763798
  C      -2.292658      1.583524     -0.824004
  C      -3.507554      1.126838     -0.248032
  C      -4.583919     -0.171494      5.967532
  C      -5.778497      0.081713      6.876586
  O      -5.949412      1.504824      7.085578
  C      -7.184962      2.014755      6.894054
  O      -8.140911      1.386752      6.475291
  C      -7.234868      3.468646      7.303269
  N      -6.381798      3.832419      8.252521
  C      -6.394238      5.136152      8.626634
  N      -7.105687      6.111576      8.096115
  C      -7.988916      5.755518      7.118377
  C      -8.771311      6.767145      6.508796
  C      -9.692001      6.434867      5.539265
  C      -9.873256      5.084581      5.154036
  C      -9.122815      4.077944      5.723720
  C      -8.145670      4.388670      6.704378
  H      -2.998314      4.498318      7.796919
  H      -4.154094      3.479284      6.956403
  H      -3.163836      5.956464      5.499820
  H      -4.374288      6.096584      6.826907
  H      -7.941063      1.684308      3.745096
  H      -8.826041      3.702505     -0.282149
  H      -7.859217      5.648639     -1.521943
  H      -5.973959      6.944266     -0.542427
  H      -5.029630      6.326823      1.658589
  H      -1.737671     -0.870573      4.007784
  H      -0.048901     -1.154949      4.405783
  H      -0.120539     -1.277690      2.054370
  H       0.482641      0.397695      2.332334
  H      -6.867373     -0.032009      1.101468
  H      -5.686748      3.178591     -1.947941
  H      -3.521862      3.983608     -2.910602
  H      -1.376718      2.935997     -2.207934
  H      -1.349135      1.129999     -0.523869
  H      -4.797009      0.229104      4.967169
  H      -4.474567     -1.268831      5.871957
  H      -6.685784     -0.338925      6.423243
  H      -5.644360     -0.358776      7.875334
  H      -5.715462      5.401697      9.443200
  H      -8.624755      7.795755      6.840109
  H     -10.296993      7.213395      5.071735
  H     -10.618818      4.837085      4.396887
  H      -9.278762      3.040958      5.438330
  N      -3.317370      1.889597      3.814559
  N      -2.923574      2.641476      2.640478
  H      -2.830211      3.659943      2.852628
  H      -2.049062      2.257025      2.236390
  H      -3.645688      2.571492      1.906257
100
Coordinates from ORCA-job orca E -6707.581968072965
  N      -2.209454      3.545609      6.098897
  Mo     -2.346646      1.698755      5.383234
  N      -3.341389      0.428321      6.454570
  C      -2.764951     -0.166015      7.663187
  C      -1.870094      0.843318      8.366333
  N      -0.968439      1.504462      7.394723
  C      -0.569401      2.878693      7.790591
  C      -0.889343      3.849413      6.642526
  C       0.176432      0.664718      6.981541
  C       0.510254      0.984857      5.524522
  N      -0.704403      0.832645      4.712544
  H      -0.133230      3.766148      5.847332
  H      -0.841118      4.892405      7.001636
  H       0.497241      2.915997      8.065006
  H      -1.145187      3.164652      8.681369
  H       1.305686      0.315259      5.159535
  H       0.903807      2.009600      5.443049
  H      -0.124962     -0.390292      7.052393
  H       1.044186      0.817381      7.647332
  H      -3.556334     -0.468966      8.368438
  H      -2.211417     -1.088001      7.401210
  H      -2.509974      1.625342      8.796341
  H      -1.308520      0.366388      9.189562
  C      -3.319678      4.198008      6.799873
  C      -3.900999      5.428344      6.106647
  O      -5.014913      5.018828      5.251689
  C      -4.788990      4.871067      3.952273
  O      -3.749369      5.183943      3.374508
  C      -5.959438      4.226186      3.251267
  N      -6.523246      3.211558      3.890178
  C      -7.521267      2.558236      3.239398
  N      -8.019680      2.843873      2.052777
  C      -7.463455      3.899988      1.392518
  C      -7.970551      4.259347      0.119905
  C      -7.417865      5.318920     -0.565713
  C      -6.343133      6.057544     -0.012107
  C      -5.825141      5.733686      1.223924
  C      -6.372919      4.646552      1.954024
  C      -0.759828     -0.413907      3.937457
  C      -0.360159     -0.274950      2.472860
  O      -1.452026      0.306071      1.692364
  C      -2.440719     -0.575100      1.354180
  O      -2.400643     -1.763643      1.575450
  C      -3.622851      0.122811      0.719897
  N      -4.791835     -0.292806      1.185506
  C      -5.901508      0.314260      0.689161
  N      -5.946567      1.281330     -0.207407
  C      -4.753109      1.711246     -0.706259
  C      -4.746830      2.749786     -1.670393
  C      -3.553341      3.194538     -2.195841
  C      -2.325267      2.617930     -1.788583
  C      -2.295391      1.611028     -0.846971
  C      -3.506895      1.141526     -0.271574
  C      -4.594408     -0.170151      5.989230
  C      -5.787015      0.083632      6.900884
  O      -5.956928      1.506697      7.108927
  C      -7.192451      2.015704      6.915857
  O      -8.147855      1.386192      6.498086
  C      -7.243579      3.470787      7.320081
  N      -6.392151      3.838733      8.269216
  C      -6.406516      5.143664      8.638823
  N      -7.119124      6.116366      8.104634
  C      -8.000302      5.755928      7.126636
  C      -8.783173      6.764536      6.512537
  C      -9.701323      6.428009      5.542119
  C      -9.879449      5.076290      5.160218
  C      -9.128656      4.072513      5.734381
  C      -8.154256      4.387645      6.716467
  H      -2.982482      4.510576      7.804760
  H      -4.147077      3.492044      6.975259
  H      -3.153445      5.961498      5.506460
  H      -4.362678      6.106983      6.833645
  H      -7.953018      1.708517      3.776073
  H      -8.794686      3.672189     -0.285739
  H      -7.810041      5.596625     -1.545473
  H      -5.925389      6.896430     -0.570688
  H      -4.999490      6.305272      1.645245
  H      -1.768451     -0.850405      3.977995
  H      -0.089307     -1.160867      4.397369
  H      -0.113681     -1.254034      2.043141
  H       0.476428      0.422130      2.342272
  H      -6.856146     -0.035865      1.090976
  H      -5.705863      3.168945     -1.975461
  H      -3.549663      3.991988     -2.940485
  H      -1.393381      2.971991     -2.231551
  H      -1.346191      1.171000     -0.544038
  H      -4.810738      0.229709      4.989228
  H      -4.485997     -1.267714      5.894480
  H      -6.695133     -0.337199      6.449346
  H      -5.650864     -0.356197      7.899639
  H      -5.730262      5.412693      9.456376
  H      -8.638674      7.794263      6.841289
  H     -10.306626      7.204209      5.071129
  H     -10.622967      4.825357      4.402186
  H      -9.282037      3.034464      5.451446
  N      -3.333403      1.898897      3.828866
  N      -2.928676      2.640330      2.651289
  H      -2.842361      3.661347      2.854110
  H      -2.049632      2.251797      2.260937
  H      -3.641786      2.558806      1.909757
100
Coordinates from ORCA-job orca E -6707.582057800332
  N      -2.211127      3.543204      6.107292
  Mo     -2.359115      1.696980      5.392926
  N      -3.352823      0.430618      6.472143
  C      -2.771095     -0.163121      7.678438
  C      -1.868074      0.844232      8.374107
  N      -0.968495      1.499231      7.396309
  C      -0.560787      2.872260      7.787739
  C      -0.886088      3.843062      6.641225
  C       0.169828      0.653597      6.978275
  C       0.497993      0.972001      5.519775
  N      -0.722069      0.826295      4.714690
  H      -0.135763      3.756489      5.840905
  H      -0.832691      4.886324      6.998740
  H       0.508117      2.905004      8.053627
  H      -1.128463      3.161261      8.682714
  H       1.287386      0.297317      5.151041
  H       0.897744      1.994225      5.436253
  H      -0.136261     -0.399930      7.050845
  H       1.041769      0.802432      7.639456
  H      -3.559383     -0.461196      8.389216
  H      -2.223059     -1.087965      7.414873
  H      -2.502401      1.630159      8.805191
  H      -1.304127      0.367225      9.195665
  C      -3.314128      4.200268      6.815622
  C      -3.902678      5.424967      6.119906
  O      -5.015241      5.007127      5.267464
  C      -4.790798      4.860303      3.967987
  O      -3.754796      5.181709      3.387882
  C      -5.957727      4.207807      3.268435
  N      -6.514753      3.189639      3.907606
  C      -7.506530      2.527889      3.256238
  N      -8.006399      2.809397      2.069049
  C      -7.461288      3.872768      1.410972
  C      -7.976198      4.232381      0.141566
  C      -7.436055      5.300140     -0.541187
  C      -6.365904      6.045930      0.011605
  C      -5.840592      5.721982      1.244485
  C      -6.376087      4.627088      1.972266
  C      -0.780918     -0.414529      3.930667
  C      -0.357253     -0.268701      2.472824
  O      -1.437810      0.317964      1.680658
  C      -2.417255     -0.563149      1.316252
  O      -2.368824     -1.755395      1.513225
  C      -3.600750      0.137373      0.687064
  N      -4.768236     -0.282775      1.152472
  C      -5.880176      0.316449      0.651246
  N      -5.929111      1.273683     -0.255544
  C      -4.736936      1.708736     -0.753309
  C      -4.734300      2.734740     -1.730574
  C      -3.541292      3.187629     -2.250273
  C      -2.310058      2.632722     -1.823103
  C      -2.276834      1.636206     -0.870704
  C      -3.487956      1.156290     -0.304699
  C      -4.608498     -0.166000      6.012608
  C      -5.797180      0.093615      6.928044
  O      -5.965585      1.517507      7.131085
  C      -7.197230      2.030047      6.923405
  O      -8.150191      1.402304      6.497385
  C      -7.248130      3.486031      7.325229
  N      -6.400773      3.853837      8.278045
  C      -6.415341      5.158892      8.646994
  N      -7.124947      6.131948      8.109632
  C      -8.002346      5.771832      7.128155
  C      -8.782326      6.781108      6.511374
  C      -9.696797      6.445461      5.537285
  C      -9.873684      5.093995      5.153953
  C      -9.125517      4.089652      5.730506
  C      -8.155271      4.403652      6.717073
  H      -2.966012      4.519538      7.814596
  H      -4.139618      3.495281      7.003949
  H      -3.158564      5.960225      5.517309
  H      -4.367024      6.103362      6.845472
  H      -7.930097      1.673048      3.791384
  H      -8.796130      3.639177     -0.263672
  H      -7.834482      5.578731     -1.518190
  H      -5.957969      6.890965     -0.544992
  H      -5.019253      6.299463      1.665928
  H      -1.796229     -0.836570      3.953380
  H      -0.128019     -1.173638      4.396127
  H      -0.103893     -1.245116      2.041259
  H       0.481464      0.428677      2.358485
  H      -6.833066     -0.031318      1.058983
  H      -5.695234      3.138793     -2.049309
  H      -3.540468      3.975749     -3.004807
  H      -1.378293      2.995258     -2.259463
  H      -1.325417      1.212618     -0.551431
  H      -4.827346      0.231386      5.012109
  H      -4.503755     -1.264161      5.920190
  H      -6.707598     -0.328533      6.482354
  H      -5.656661     -0.341448      7.928226
  H      -5.741323      5.427787      9.466424
  H      -8.638549      7.810551      6.841325
  H     -10.299961      7.222055      5.064196
  H     -10.614147      4.843836      4.392683
  H      -9.277469      3.051820      5.445780
  N      -3.346219      1.901691      3.838277
  N      -2.933153      2.640719      2.661422
  H      -2.863857      3.664061      2.861436
  H      -2.043387      2.263054      2.286338
  H      -3.634356      2.541930      1.910727
100
Coordinates from ORCA-job orca E -6707.582141292174
  N      -2.221283      3.544652      6.111733
  Mo     -2.374173      1.699921      5.395401
  N      -3.365578      0.436815      6.482178
  C      -2.777473     -0.157696      7.685157
  C      -1.867082      0.847186      8.374475
  N      -0.971117      1.498539      7.390965
  C      -0.557525      2.870887      7.778937
  C      -0.890954      3.842142      6.634962
  C       0.162122      0.649396      6.967459
  C       0.484180      0.968177      5.508008
  N      -0.740904      0.827504      4.709946
  H      -0.147077      3.754106      5.828768
  H      -0.833730      4.885517      6.991502
  H       0.513570      2.901069      8.036031
  H      -1.117484      3.161049      8.678379
  H       1.268907      0.290562      5.134724
  H       0.887972      1.988729      5.423184
  H      -0.147336     -0.403135      7.040153
  H       1.037609      0.794725      7.624702
  H      -3.562307     -0.452585      8.401095
  H      -2.234231     -1.084439      7.418367
  H      -2.496319      1.635469      8.808678
  H      -1.299674      0.369036      9.192974
  C      -3.317313      4.203818      6.829972
  C      -3.913194      5.426347      6.137717
  O      -5.025107      5.004970      5.286371
  C      -4.798656      4.854398      3.988243
  O      -3.761696      5.175859      3.409202
  C      -5.963341      4.200416      3.286764
  N      -6.533997      3.194852      3.933573
  C      -7.518395      2.526541      3.278065
  N      -7.999029      2.790799      2.078854
  C      -7.441438      3.843066      1.413353
  C      -7.936945      4.185147      0.131501
  C      -7.382379      5.240032     -0.559667
  C      -6.316000      5.988881     -0.003628
  C      -5.809403      5.681582      1.241249
  C      -6.361383      4.601534      1.978680
  C      -0.802820     -0.408818      3.919383
  C      -0.362619     -0.257591      2.466678
  O      -1.435362      0.332464      1.666448
  C      -2.405040     -0.549266      1.278237
  O      -2.348556     -1.744092      1.453043
  C      -3.589133      0.152853      0.652903
  N      -4.756259     -0.270116      1.116595
  C      -5.868749      0.326301      0.612251
  N      -5.918225      1.278347     -0.299753
  C      -4.725919      1.716568     -0.794734
  C      -4.723044      2.736966     -1.777772
  C      -3.529133      3.193954     -2.291959
  C      -2.297387      2.649798     -1.852591
  C      -2.264533      1.658045     -0.895301
  C      -3.476518      1.172634     -0.337476
  C      -4.624561     -0.158452      6.030660
  C      -5.806047      0.102107      6.955282
  O      -5.974213      1.525772      7.159517
  C      -7.205137      2.039595      6.951320
  O      -8.159135      1.412243      6.526864
  C      -7.253545      3.496617      7.350164
  N      -6.400221      3.866432      8.296777
  C      -6.412179      5.172376      8.662936
  N      -7.124877      6.144339      8.127913
  C      -8.008638      5.782216      7.152876
  C      -8.792472      6.790479      6.539309
  C      -9.713129      6.453124      5.571675
  C      -9.892335      5.100994      5.191857
  C      -9.140592      4.097622      5.765439
  C      -8.164221      4.413251      6.745447
  H      -2.957761      4.526078      7.823855
  H      -4.140336      3.498718      7.028985
  H      -3.172592      5.965751      5.534508
  H      -4.379411      6.101650      6.865049
  H      -7.953155      1.681687      3.820012
  H      -8.753316      3.589062     -0.276563
  H      -7.765521      5.505472     -1.546390
  H      -5.895680      6.822732     -0.567838
  H      -4.990080      6.260328      1.664987
  H      -1.822789     -0.820041      3.929421
  H      -0.162731     -1.176847      4.388150
  H      -0.103342     -1.231768      2.033748
  H       0.477318      0.440238      2.364304
  H      -6.821311     -0.022086      1.020111
  H      -5.684145      3.133586     -2.105230
  H      -3.527878      3.977705     -3.051033
  H      -1.364941      3.017089     -2.283519
  H      -1.313038      1.242136     -0.566103
  H      -4.849921      0.238911      5.031557
  H      -4.521515     -1.256734      5.937256
  H      -6.720160     -0.320852      6.518017
  H      -5.656107     -0.331707      7.954598
  H      -5.731539      5.442947      9.476295
  H      -8.646466      7.820492      6.866479
  H     -10.319358      7.228787      5.100979
  H     -10.637675      4.849736      4.435714
  H      -9.294158      3.059330      5.483390
  N      -3.360770      1.906182      3.839178
  N      -2.943480      2.643047      2.661732
  H      -2.890597      3.668618      2.859372
  H      -2.045147      2.276765      2.297253
  H      -3.635405      2.529564      1.904523
100
Coordinates from ORCA-job orca E -6707.582238855131
  N      -2.225887      3.545794      6.114744
  Mo     -2.387665      1.702674      5.397331
  N      -3.378641      0.444387      6.490600
  C      -2.787116     -0.151296      7.691342
  C      -1.869085      0.850536      8.374917
  N      -0.974735      1.496091      7.386238
  C      -0.552847      2.867305      7.769721
  C      -0.890472      3.838662      6.626939
  C       0.152686      0.641303      6.959468
  C       0.470740      0.959423      5.499219
  N      -0.758914      0.826108      4.707267
  H      -0.153226      3.746847      5.815080
  H      -0.826826      4.882357      6.981586
  H       0.520070      2.893388      8.019308
  H      -1.105586      3.160758      8.672534
  H       1.249762      0.277321      5.122100
  H       0.880296      1.977541      5.413014
  H      -0.161924     -0.409663      7.032559
  H       1.030812      0.782080      7.614153
  H      -3.569748     -0.441709      8.411468
  H      -2.249208     -1.080626      7.422810
  H      -2.492944      1.642224      8.810694
  H      -1.300121      0.371196      9.191641
  C      -3.314116      4.208381      6.841897
  C      -3.917484      5.426607      6.149958
  O      -5.029307      4.997251      5.302428
  C      -4.804421      4.841540      4.004930
  O      -3.770252      5.168441      3.423095
  C      -5.965932      4.177317      3.307991
  N      -6.533528      3.175231      3.962942
  C      -7.512897      2.495953      3.311709
  N      -7.991769      2.746490      2.108697
  C      -7.440030      3.796976      1.435997
  C      -7.937638      4.126928      0.151775
  C      -7.389908      5.180390     -0.546713
  C      -6.328046      5.939629      0.003911
  C      -5.819457      5.644424      1.250884
  C      -6.364663      4.566174      1.996227
  C      -0.826900     -0.407125      3.912690
  C      -0.370994     -0.254335      2.465186
  O      -1.435900      0.340909      1.659498
  C      -2.392314     -0.541980      1.242171
  O      -2.329921     -1.740100      1.393349
  C      -3.573546      0.163204      0.615325
  N      -4.743537     -0.262279      1.069502
  C      -5.852894      0.336915      0.560741
  N      -5.895879      1.293389     -0.346537
  C      -4.700066      1.734533     -0.830781
  C      -4.689895      2.760205     -1.808338
  C      -3.492299      3.219385     -2.311838
  C      -2.263468      2.672246     -1.867878
  C      -2.237135      1.674570     -0.916645
  C      -3.453755      1.187324     -0.369264
  C      -4.640748     -0.148487      6.044802
  C      -5.817152      0.114723      6.975187
  O      -5.981599      1.538615      7.179562
  C      -7.210152      2.056157      6.966249
  O      -8.164718      1.430933      6.539870
  C      -7.255570      3.513831      7.362681
  N      -6.401583      3.883476      8.308760
  C      -6.411095      5.190170      8.672751
  N      -7.122703      6.162384      8.136923
  C      -8.006927      5.800405      7.162172
  C      -8.789500      6.809050      6.547735
  C      -9.710228      6.471949      5.580006
  C      -9.890421      5.119798      5.200854
  C      -9.139890      4.115992      5.775359
  C      -8.164063      4.431256      6.755943
  H      -2.943183      4.536163      7.829782
  H      -4.134269      3.503498      7.053405
  H      -3.181556      5.969283      5.543960
  H      -4.385706      6.099921      6.877849
  H      -7.944173      1.653661      3.860244
  H      -8.750186      3.523034     -0.252337
  H      -7.774829      5.436904     -1.535095
  H      -5.913100      6.772187     -0.566160
  H      -5.004590      6.232024      1.670741
  H      -1.852025     -0.805422      3.909911
  H      -0.201469     -1.184417      4.386071
  H      -0.109776     -1.227743      2.031834
  H       0.472353      0.440868      2.373315
  H      -6.808116     -0.017253      0.957388
  H      -5.648395      3.158930     -2.140823
  H      -3.485489      4.007312     -3.066551
  H      -1.328352      3.041684     -2.291090
  H      -1.287447      1.255729     -0.585452
  H      -4.870313      0.249125      5.046737
  H      -4.540149     -1.246967      5.950527
  H      -6.734752     -0.306469      6.543706
  H      -5.661410     -0.318755      7.973751
  H      -5.730029      5.460440      9.485874
  H      -8.642439      7.839168      6.874093
  H     -10.315625      7.247799      5.108553
  H     -10.635661      4.869000      4.444458
  H      -9.294138      3.077721      5.493728
  N      -3.369075      1.908220      3.837035
  N      -2.950885      2.643859      2.659368
  H      -2.916937      3.671967      2.853266
  H      -2.044588      2.289442      2.303470
  H      -3.634583      2.516751      1.896759
100
Coordinates from ORCA-job orca E -6707.582341416414
  N      -2.233181      3.547365      6.117754
  Mo     -2.396670      1.704909      5.399699
  N      -3.384139      0.454363      6.502974
  C      -2.785682     -0.142069      7.700575
  C      -1.859497      0.857438      8.375718
  N      -0.970395      1.497452      7.378928
  C      -0.542333      2.869160      7.755504
  C      -0.891200      3.838858      6.614161
  C       0.151934      0.638262      6.948198
  C       0.462370      0.953762      5.485873
  N      -0.773040      0.823890      4.702903
  H      -0.163283      3.743688      5.794229
  H      -0.821478      4.883439      6.965245
  H       0.533212      2.894015      7.993291
  H      -1.085108      3.165341      8.663428
  H       1.236808      0.268800      5.104492
  H       0.874776      1.970419      5.395500
  H      -0.166530     -0.411418      7.023532
  H       1.033229      0.776453      7.599044
  H      -3.564336     -0.428776      8.426318
  H      -2.252944     -1.073345      7.428719
  H      -2.477201      1.651960      8.815053
  H      -1.286123      0.377259      9.188846
  C      -3.312851      4.213364      6.854885
  C      -3.920208      5.430568      6.165842
  O      -5.030856      4.999800      5.317065
  C      -4.803325      4.838544      4.021108
  O      -3.766732      5.162740      3.441123
  C      -5.962629      4.171485      3.323543
  N      -6.532453      3.172211      3.980925
  C      -7.507270      2.487986      3.328403
  N      -7.979767      2.731207      2.121167
  C      -7.428519      3.780935      1.447188
  C      -7.922782      4.105519      0.160367
  C      -7.376891      5.159344     -0.538901
  C      -6.319549      5.923786      0.013233
  C      -5.813687      5.633528      1.262511
  C      -6.357385      4.555287      2.009027
  C      -0.849393     -0.409363      3.910124
  C      -0.387290     -0.262094      2.463798
  O      -1.445583      0.338047      1.653737
  C      -2.396112     -0.542000      1.219349
  O      -2.333220     -1.741240      1.357649
  C      -3.573545      0.166104      0.588999
  N      -4.746634     -0.259490      1.034779
  C      -5.852539      0.343636      0.521747
  N      -5.888613      1.306161     -0.379005
  C      -4.689117      1.747742     -0.853999
  C      -4.670804      2.779909     -1.824679
  C      -3.469241      3.237931     -2.319850
  C      -2.244246      2.682885     -1.874671
  C      -2.226139      1.678847     -0.929944
  C      -3.446860      1.193850     -0.390823
  C      -4.648402     -0.141460      6.066193
  C      -5.817868      0.119445      7.005500
  O      -5.985315      1.543147      7.207808
  C      -7.214041      2.058230      6.989290
  O      -8.167234      1.429393      6.565016
  C      -7.261841      3.517909      7.377070
  N      -6.413115      3.893199      8.325556
  C      -6.425766      5.202251      8.682096
  N      -7.136420      6.170439      8.138188
  C      -8.014596      5.802529      7.160023
  C      -8.794711      6.807008      6.535970
  C      -9.708715      6.463742      5.563877
  C      -9.884359      5.109571      5.190042
  C      -9.136229      4.109570      5.774380
  C      -8.167418      4.431232      6.759772
  H      -2.929874      4.544980      7.836948
  H      -4.131333      3.509905      7.077640
  H      -3.186309      5.977688      5.561455
  H      -4.391092      6.099736      6.895736
  H      -7.941662      1.649401      3.879966
  H      -8.731816      3.498108     -0.245392
  H      -7.759522      5.412387     -1.529048
  H      -5.905938      6.756526     -0.557539
  H      -5.003072      6.226144      1.683491
  H      -1.877995     -0.798601      3.902981
  H      -0.232502     -1.191828      4.386422
  H      -0.130620     -1.238070      2.033523
  H       0.461738      0.426582      2.374322
  H      -6.810055     -0.011533      0.911964
  H      -5.626395      3.183815     -2.159338
  H      -3.455588      4.030601     -3.069491
  H      -1.306021      3.050760     -2.292296
  H      -1.279861      1.251771     -0.599402
  H      -4.885840      0.255365      5.069632
  H      -4.545212     -1.239637      5.971145
  H      -6.738088     -0.305521      6.583588
  H      -5.650990     -0.311189      8.003470
  H      -5.750656      5.476668      9.498799
  H      -8.651418      7.839070      6.857805
  H     -10.312325      7.236291      5.084780
  H     -10.624364      4.854351      4.429977
  H      -9.287436      3.069767      5.497064
  N      -3.375736      1.902156      3.835783
  N      -2.970149      2.641116      2.657559
  H      -2.955957      3.671157      2.850786
  H      -2.056640      2.307074      2.300888
  H      -3.651963      2.499508      1.896132
100
Coordinates from ORCA-job orca E -6707.582414804568
  N      -2.237713      3.545627      6.119274
  Mo     -2.401800      1.702941      5.402062
  N      -3.386358      0.460960      6.515110
  C      -2.782287     -0.134641      7.710825
  C      -1.847821      0.863331      8.377261
  N      -0.963738      1.498369      7.373097
  C      -0.532100      2.871290      7.741491
  C      -0.890671      3.837456      6.600492
  C       0.154975      0.636497      6.939151
  C       0.458641      0.949776      5.475001
  N      -0.781327      0.821340      4.698928
  H      -0.171364      3.738449      5.773353
  H      -0.814674      4.883152      6.947159
  H       0.545511      2.897056      7.969618
  H      -1.067071      3.170337      8.653095
  H       1.230047      0.263627      5.089772
  H       0.871811      1.965941      5.381674
  H      -0.165592     -0.412429      7.016906
  H       1.038899      0.773581      7.586632
  H      -3.557301     -0.415859      8.442472
  H      -2.255252     -1.068834      7.437975
  H      -2.459608      1.660453      8.820070
  H      -1.270588      0.382297      9.187197
  C      -3.309316      4.213983      6.864844
  C      -3.922180      5.429538      6.178310
  O      -5.032306      4.996672      5.329043
  C      -4.801369      4.829366      4.034504
  O      -3.760511      5.146346      3.457676
  C      -5.959216      4.162858      3.334252
  N      -6.526757      3.158228      3.985591
  C      -7.498336      2.474292      3.327982
  N      -7.968676      2.721425      2.120495
  C      -7.421604      3.777811      1.453919
  C      -7.915664      4.108831      0.168571
  C      -7.374588      5.170315     -0.522639
  C      -6.321252      5.935829      0.035695
  C      -5.814734      5.638920      1.283141
  C      -6.354323      4.553370      2.021966
  C      -0.862460     -0.411882      3.907070
  C      -0.397426     -0.267616      2.461431
  O      -1.455508      0.331732      1.651125
  C      -2.393690     -0.551656      1.198660
  O      -2.323888     -1.752219      1.323841
  C      -3.570718      0.154654      0.565819
  N      -4.745229     -0.274236      1.004266
  C      -5.849291      0.333419      0.491586
  N      -5.881323      1.307608     -0.396633
  C      -4.679853      1.752860     -0.863470
  C      -4.656561      2.798993     -1.818951
  C      -3.452785      3.258586     -2.307277
  C      -2.230222      2.690560     -1.871550
  C      -2.216947      1.673322     -0.940859
  C      -3.440360      1.188692     -0.406341
  C      -4.653814     -0.136010      6.087798
  C      -5.818922      0.128300      7.031527
  O      -5.987499      1.552829      7.226982
  C      -7.217697      2.064250      7.007664
  O      -8.170791      1.430529      6.590553
  C      -7.267622      3.526655      7.384099
  N      -6.421820      3.910332      8.331792
  C      -6.438506      5.222089      8.678768
  N      -7.148701      6.184934      8.124933
  C      -8.023448      5.808222      7.146986
  C      -8.802990      6.806423      6.512423
  C      -9.713288      6.453832      5.540096
  C      -9.885734      5.096452      5.176542
  C      -9.138102      4.102285      5.771457
  C      -8.172965      4.433639      6.757262
  H      -2.916132      4.550095      7.841438
  H      -4.125599      3.511551      7.098387
  H      -3.191396      5.981590      5.574754
  H      -4.395483      6.094267      6.910667
  H      -7.929627      1.630383      3.873891
  H      -8.721359      3.500703     -0.242660
  H      -7.757532      5.428553     -1.511311
  H      -5.910849      6.774420     -0.528783
  H      -5.007020      6.232722      1.708260
  H      -1.892758     -0.796688      3.896470
  H      -0.250189     -1.196906      4.385178
  H      -0.142366     -1.244557      2.032509
  H       0.452941      0.419517      2.372504
  H      -6.808132     -0.026368      0.874325
  H      -5.610146      3.211920     -2.148316
  H      -3.434935      4.062111     -3.045188
  H      -1.290644      3.058618     -2.285890
  H      -1.272791      1.234459     -0.619658
  H      -4.896392      0.257563      5.091144
  H      -4.550373     -1.234465      5.996285
  H      -6.740937     -0.299707      6.616692
  H      -5.646290     -0.297182      8.030692
  H      -5.763659      5.504393      9.492929
  H      -8.662536      7.841393      6.826061
  H     -10.316493      7.221588      5.052853
  H     -10.622891      4.834129      4.416119
  H      -9.287311      3.060072      5.502159
  N      -3.380847      1.884332      3.836766
  N      -2.990725      2.623992      2.654255
  H      -2.996296      3.656101      2.842594
  H      -2.071241      2.307560      2.295476
  H      -3.671384      2.466975      1.894645
100
Coordinates from ORCA-job orca E -6707.582466786860
  N      -2.243587      3.546307      6.121353
  Mo     -2.408691      1.703458      5.404790
  N      -3.394103      0.469966      6.524062
  C      -2.786826     -0.127052      7.717807
  C      -1.844030      0.867723      8.377648
  N      -0.963281      1.497850      7.367351
  C      -0.526616      2.871008      7.730540
  C      -0.892037      3.836005      6.591006
  C       0.151580      0.632258      6.931601
  C       0.450920      0.943390      5.466384
  N      -0.792444      0.817420      4.695381
  H      -0.179671      3.733630      5.758166
  H      -0.808868      4.882093      6.935163
  H       0.552688      2.895621      7.950712
  H      -1.054592      3.171812      8.645616
  H       1.219133      0.255129      5.078650
  H       0.866065      1.958666      5.371207
  H      -0.172168     -0.415589      7.011478
  H       1.037487      0.767332      7.576764
  H      -3.559463     -0.402782      8.454061
  H      -2.266352     -1.064439      7.443469
  H      -2.449688      1.667643      8.823676
  H      -1.263954      0.384897      9.184469
  C      -3.308847      4.219961      6.870152
  C      -3.924308      5.432919      6.181058
  O      -5.037187      4.996935      5.336215
  C      -4.809052      4.818639      4.042715
  O      -3.770071      5.131158      3.460048
  C      -5.967621      4.146419      3.350001
  N      -6.525916      3.138977      4.004715
  C      -7.493935      2.446741      3.350584
  N      -7.967802      2.687111      2.143088
  C      -7.430758      3.746676      1.473458
  C      -7.928527      4.071053      0.187729
  C      -7.398029      5.136474     -0.505545
  C      -6.351884      5.913138      0.050950
  C      -5.841391      5.622601      1.298220
  C      -6.369765      4.532824      2.038848
  C      -0.876880     -0.415227      3.903691
  C      -0.402696     -0.275220      2.459877
  O      -1.453444      0.327482      1.642094
  C      -2.385384     -0.552940      1.173457
  O      -2.314193     -1.754501      1.288365
  C      -3.558216      0.157616      0.537422
  N      -4.735827     -0.273174      0.965733
  C      -5.836060      0.339785      0.450661
  N      -5.861994      1.321466     -0.429778
  C      -4.657140      1.768691     -0.886156
  C      -4.626058      2.822991     -1.832233
  C      -3.418399      3.283652     -2.310039
  C      -2.199598      2.708502     -1.872742
  C      -2.194474      1.683882     -0.950044
  C      -3.421723      1.198241     -0.426407
  C      -4.662570     -0.127904      6.100850
  C      -5.824528      0.137166      7.047966
  O      -5.992188      1.562409      7.240275
  C      -7.221274      2.075005      7.016860
  O      -8.173975      1.442965      6.596501
  C      -7.271082      3.536942      7.394274
  N      -6.434318      3.917301      8.351200
  C      -6.453001      5.228375      8.700698
  N      -7.156389      6.193265      8.141677
  C      -8.020738      5.819924      7.153209
  C      -8.791164      6.820394      6.511185
  C      -9.690760      6.470806      5.527880
  C      -9.861640      5.114259      5.160294
  C      -9.122873      4.117892      5.762547
  C      -8.168371      4.446348      6.759613
  H      -2.908538      4.561974      7.841924
  H      -4.125334      3.520817      7.112997
  H      -3.195902      5.984760      5.574498
  H      -4.396876      6.098593      6.913048
  H      -7.919578      1.602209      3.900041
  H      -8.728906      3.454883     -0.221997
  H      -7.784345      5.389571     -1.494231
  H      -5.950054      6.755114     -0.514643
  H      -5.038959      6.225246      1.721189
  H      -1.909290     -0.793770      3.887079
  H      -0.271943     -1.203971      4.385180
  H      -0.150661     -1.254113      2.033772
  H       0.451182      0.407984      2.374643
  H      -6.797609     -0.024019      0.822654
  H      -5.576784      3.241114     -2.163388
  H      -3.394255      4.093383     -3.040950
  H      -1.256825      3.077194     -2.279135
  H      -1.253854      1.238485     -0.627240
  H      -4.908526      0.265534      5.104993
  H      -4.558718     -1.226340      6.009866
  H      -6.747606     -0.292255      6.636973
  H      -5.648695     -0.286271      8.047462
  H      -5.788209      5.507834      9.524074
  H      -8.652698      7.854720      6.827832
  H     -10.286866      7.240469      5.034927
  H     -10.590537      4.854391      4.391111
  H      -9.271306      3.076278      5.490112
  N      -3.386854      1.869890      3.837565
  N      -3.006667      2.611116      2.653059
  H      -3.028423      3.644151      2.839888
  H      -2.079658      2.313786      2.297189
  H      -3.681928      2.440091      1.891800
100
Coordinates from ORCA-job orca E -6707.582510337711
  N      -2.236715      3.542820      6.129931
  Mo     -2.408393      1.699354      5.414844
  N      -3.392967      0.471358      6.538774
  C      -2.782330     -0.126532      7.730650
  C      -1.831018      0.864354      8.383833
  N      -0.954059      1.490709      7.367771
  C      -0.511621      2.863045      7.728285
  C      -0.881671      3.829044      6.591386
  C       0.155750      0.621513      6.926682
  C       0.449354      0.932319      5.460384
  N      -0.797681      0.810181      4.694376
  H      -0.174629      3.724765      5.754141
  H      -0.791708      4.874722      6.935222
  H       0.569063      2.885222      7.942091
  H      -1.033513      3.164687      8.646570
  H       1.213946      0.242151      5.069027
  H       0.866817      1.946630      5.364658
  H      -0.171342     -0.425261      7.008079
  H       1.045103      0.753401      7.567770
  H      -3.552557     -0.396762      8.471548
  H      -2.268502     -1.067224      7.455138
  H      -2.430234      1.666916      8.833749
  H      -1.247773      0.379124      9.186895
  C      -3.296142      4.223370      6.879477
  C      -3.908456      5.437346      6.188251
  O      -5.024450      5.004116      5.345606
  C      -4.798767      4.820067      4.052559
  O      -3.759708      5.124892      3.466247
  C      -5.960119      4.149335      3.363438
  N      -6.510694      3.136033      4.015268
  C      -7.480507      2.444737      3.362354
  N      -7.961956      2.690635      2.159106
  C      -7.432930      3.756784      1.493006
  C      -7.939079      4.088065      0.212369
  C      -7.417848      5.161476     -0.475743
  C      -6.373232      5.939853      0.081145
  C      -5.854550      5.642461      1.323420
  C      -6.372753      4.543959      2.058115
  C      -0.886139     -0.420659      3.900519
  C      -0.407077     -0.282580      2.457751
  O      -1.455592      0.319604      1.635758
  C      -2.382445     -0.560298      1.157082
  O      -2.307913     -1.762635      1.263691
  C      -3.555507      0.153031      0.524569
  N      -4.733000     -0.281480      0.949646
  C      -5.833211      0.336326      0.440811
  N      -5.859493      1.327604     -0.429095
  C      -4.654738      1.778706     -0.882422
  C      -4.623854      2.842915     -1.817189
  C      -3.416276      3.307254     -2.291817
  C      -2.197516      2.725906     -1.862624
  C      -2.192274      1.692048     -0.950340
  C      -3.419438      1.202295     -0.429728
  C      -4.661826     -0.128539      6.119216
  C      -5.823591      0.142511      7.064999
  O      -5.995005      1.569253      7.243236
  C      -7.228669      2.074222      7.028157
  O      -8.184748      1.433410      6.629586
  C      -7.277208      3.542565      7.380094
  N      -6.433324      3.940025      8.323779
  C      -6.448847      5.257378      8.648936
  N      -7.155108      6.212228      8.076381
  C      -8.025863      5.821389      7.100374
  C      -8.798094      6.810526      6.443068
  C      -9.703289      6.443445      5.471408
  C      -9.878393      5.080315      5.131009
  C      -9.138140      4.094585      5.748702
  C      -8.177743      4.440793      6.734085
  H      -2.891812      4.567803      7.848769
  H      -4.115876      3.529685      7.127134
  H      -3.178986      5.985678      5.579833
  H      -4.377821      6.106080      6.919495
  H      -7.901542      1.596365      3.909577
  H      -8.738652      3.470856     -0.197450
  H      -7.810890      5.419593     -1.460473
  H      -5.979096      6.788540     -0.479801
  H      -5.052958      6.246365      1.746295
  H      -1.920258     -0.794203      3.880871
  H      -0.286261     -1.213138      4.382397
  H      -0.155636     -1.262249      2.033320
  H       0.446790      0.400714      2.373628
  H      -6.794915     -0.030698      0.809125
  H      -5.574620      3.265447     -2.142506
  H      -3.392334      4.124761     -3.014028
  H      -1.254802      3.097404     -2.266579
  H      -1.251945      1.242105     -0.633000
  H      -4.907974      0.259626      5.121416
  H      -4.557966     -1.227482      6.035539
  H      -6.745479     -0.293293      6.657888
  H      -5.647495     -0.270964      8.068630
  H      -5.779773      5.551708      9.463628
  H      -8.656547      7.850613      6.738807
  H     -10.300544      7.204603      4.966761
  H     -10.611852      4.806720      4.370968
  H      -9.290028      3.048178      5.497261
  N      -3.391602      1.855183      3.851309
  N      -3.020513      2.592044      2.661159
  H      -3.046821      3.626262      2.841845
  H      -2.091202      2.301363      2.305949
  H      -3.694159      2.411730      1.900977
100
Coordinates from ORCA-job orca E -6707.582559472695
  N      -2.241333      3.543076      6.131195
  Mo     -2.408902      1.698132      5.418061
  N      -3.394492      0.469293      6.539246
  C      -2.785440     -0.127881      7.732086
  C      -1.833712      0.863194      8.385343
  N      -0.957118      1.491130      7.369854
  C      -0.517236      2.864150      7.731768
  C      -0.887718      3.831114      6.596052
  C       0.153716      0.623046      6.928514
  C       0.448557      0.934805      5.462952
  N      -0.797033      0.811790      4.693783
  H      -0.178666      3.729784      5.760059
  H      -0.799228      4.876108      6.942329
  H       0.563135      2.888050      7.947298
  H      -1.040796      3.163750      8.649801
  H       1.214456      0.245636      5.072458
  H       0.864978      1.949719      5.369497
  H      -0.172348     -0.424058      7.010130
  H       1.043076      0.755636      7.569566
  H      -3.556356     -0.395798      8.473328
  H      -2.273069     -1.069898      7.458340
  H      -2.433116      1.665273      8.835890
  H      -1.250181      0.377729      9.188022
  C      -3.304934      4.224391      6.872291
  C      -3.919884      5.433569      6.173275
  O      -5.037693      4.995083      5.335306
  C      -4.813964      4.803239      4.043190
  O      -3.775052      5.100191      3.453199
  C      -5.976901      4.131030      3.357537
  N      -6.514542      3.107093      4.003401
  C      -7.482678      2.413699      3.349260
  N      -7.973312      2.666395      2.151452
  C      -7.457108      3.743090      1.491934
  C      -7.971973      4.081681      0.216735
  C      -7.462527      5.165235     -0.464324
  C      -6.421549      5.947228      0.094349
  C      -5.894579      5.642718      1.331417
  C      -6.400735      4.533792      2.058456
  C      -0.881609     -0.418390      3.898198
  C      -0.396595     -0.280790      2.457349
  O      -1.445740      0.315079      1.630005
  C      -2.366275     -0.569043      1.146247
  O      -2.286531     -1.771049      1.251632
  C      -3.540834      0.142171      0.514285
  N      -4.717785     -0.297362      0.936482
  C      -5.818675      0.323478      0.434011
  N      -5.846416      1.324289     -0.425268
  C      -4.642341      1.780080     -0.876210
  C      -4.613059      2.854234     -1.799453
  C      -3.406159      3.323496     -2.271240
  C      -2.186639      2.737494     -1.850554
  C      -2.179640      1.694416     -0.949023
  C      -3.406087      1.199311     -0.430944
  C      -4.663387     -0.129513      6.118632
  C      -5.826761      0.146166      7.061309
  O      -5.992825      1.574012      7.236850
  C      -7.226390      2.081552      7.029052
  O      -8.185927      1.443679      6.634291
  C      -7.270896      3.548944      7.385842
  N      -6.435582      3.938587      8.340403
  C      -6.448744      5.254390      8.670895
  N      -7.142414      6.215324      8.092795
  C      -8.003772      5.832562      7.105465
  C      -8.762062      6.828022      6.441346
  C      -9.657747      6.468980      5.458031
  C      -9.837518      5.107768      5.112120
  C      -9.111006      4.115994      5.736361
  C      -8.159986      4.453921      6.733725
  H      -2.906682      4.574639      7.842037
  H      -4.124862      3.530709      7.119424
  H      -3.191991      5.978306      5.559726
  H      -4.388513      6.107109      6.900632
  H      -7.892343      1.555828      3.890191
  H      -8.768464      3.461325     -0.194418
  H      -7.862284      5.427990     -1.445123
  H      -6.036610      6.803934     -0.460743
  H      -5.094758      6.248371      1.755261
  H      -1.915584     -0.791918      3.874451
  H      -0.283715     -1.211201      4.382117
  H      -0.140467     -1.260303      2.035597
  H       0.453389      0.407302      2.374044
  H      -6.780264     -0.044199      0.801969
  H      -5.564349      3.280480     -2.118389
  H      -3.383943      4.148898     -2.984459
  H      -1.244546      3.113157     -2.252109
  H      -1.238541      1.242581     -0.636782
  H      -4.907720      0.257794      5.120210
  H      -4.561274     -1.228795      6.037975
  H      -6.748298     -0.287005      6.650424
  H      -5.657743     -0.267286      8.066200
  H      -5.786900      5.543306      9.493371
  H      -8.617608      7.866457      6.741492
  H     -10.243774      7.235337      4.948101
  H     -10.563400      4.840331      4.342708
  H      -9.266240      3.071194      5.479972
  N      -3.394601      1.844039      3.857394
  N      -3.025637      2.571317      2.660054
  H      -3.047422      3.607065      2.830002
  H      -2.096748      2.278120      2.306565
  H      -3.698221      2.384310      1.901232
100
Coordinates from ORCA-job orca E -6707.582598883849
  N      -2.242004      3.541188      6.134573
  Mo     -2.412635      1.695608      5.423753
  N      -3.395843      0.462988      6.544769
  C      -2.785132     -0.132978      7.736970
  C      -1.833647      0.859127      8.388478
  N      -0.959014      1.488013      7.371382
  C      -0.518068      2.860599      7.734579
  C      -0.888867      3.829303      6.600512
  C       0.151389      0.620399      6.927685
  C       0.444624      0.933728      5.462065
  N      -0.801316      0.810890      4.693229
  H      -0.179064      3.730450      5.764831
  H      -0.802170      4.873603      6.949042
  H       0.562522      2.883255      7.948966
  H      -1.040320      3.159016      8.653718
  H       1.210492      0.244890      5.070830
  H       0.861002      1.948751      5.369488
  H      -0.174041     -0.426836      7.009524
  H       1.041972      0.753199      7.567016
  H      -3.555049     -0.401092      8.479273
  H      -2.272547     -1.074891      7.463205
  H      -2.433435      1.660885      8.839102
  H      -1.248040      0.375113      9.190445
  C      -3.305526      4.226657      6.871609
  C      -3.916265      5.435904      6.168762
  O      -5.035373      4.998066      5.332744
  C      -4.813518      4.806613      4.040652
  O      -3.776471      5.105041      3.448201
  C      -5.976470      4.131962      3.357101
  N      -6.509822      3.106773      4.004390
  C      -7.477217      2.410326      3.351811
  N      -7.970573      2.661206      2.154997
  C      -7.458401      3.739316      1.494126
  C      -7.975757      4.075664      0.219478
  C      -7.469532      5.160058     -0.462902
  C      -6.429647      5.944890      0.093831
  C      -5.900471      5.642272      1.330471
  C      -6.403535      4.532868      2.058605
  C      -0.883480     -0.417533      3.894530
  C      -0.393906     -0.276569      2.455376
  O      -1.441617      0.318424      1.625555
  C      -2.360024     -0.566981      1.138855
  O      -2.276124     -1.769006      1.240845
  C      -3.536488      0.143983      0.509441
  N      -4.712035     -0.301486      0.929631
  C      -5.814940      0.318535      0.431149
  N      -5.846348      1.321901     -0.425221
  C      -4.644032      1.783610     -0.874747
  C      -4.619116      2.860137     -1.795349
  C      -3.414043      3.335649     -2.265245
  C      -2.192347      2.754528     -1.844483
  C      -2.180834      1.709259     -0.945603
  C      -3.405313      1.206453     -0.430803
  C      -4.665382     -0.135227      6.126263
  C      -5.827727      0.145514      7.068930
  O      -5.992644      1.574300      7.238722
  C      -7.226087      2.082257      7.031690
  O      -8.187199      1.444562      6.640426
  C      -7.268690      3.550597      7.384768
  N      -6.436023      3.940673      8.341421
  C      -6.447806      5.257054      8.669161
  N      -7.136691      6.218321      8.085727
  C      -7.995617      5.834920      7.096560
  C      -8.749187      6.830336      6.426904
  C      -9.642879      6.470652      5.442002
  C      -9.825637      5.108790      5.100136
  C      -9.103815      4.117109      5.729867
  C      -8.154357      4.455649      6.728402
  H      -2.909138      4.577372      7.841868
  H      -4.127932      3.535443      7.117700
  H      -3.186438      5.974817      5.552304
  H      -4.381728      6.114687      6.893208
  H      -7.883743      1.551432      3.893501
  H      -8.771239      3.452888     -0.189991
  H      -7.871134      5.420896     -1.443466
  H      -6.047332      6.801957     -0.462505
  H      -5.100957      6.249133      1.753331
  H      -1.917991     -0.789420      3.868076
  H      -0.287500     -1.211816      4.378405
  H      -0.133531     -1.254778      2.033153
  H       0.454020      0.414374      2.375126
  H      -6.775671     -0.054134      0.796237
  H      -5.572105      3.283118     -2.113710
  H      -3.395539      4.162738     -2.976609
  H      -1.251545      3.135859     -2.243760
  H      -1.237832      1.262485     -0.631790
  H      -4.909877      0.249038      5.126816
  H      -4.565664     -1.235006      6.049409
  H      -6.749672     -0.288830      6.660141
  H      -5.658949     -0.263793      8.075544
  H      -5.788000      5.546814      9.492988
  H      -8.602632      7.869225      6.724469
  H     -10.225149      7.237017      4.927794
  H     -10.550010      4.840765      4.329500
  H      -9.261023      3.071781      5.476548
  N      -3.403758      1.839563      3.866815
  N      -3.035553      2.561668      2.666489
  H      -3.058446      3.597919      2.830579
  H      -2.105338      2.267212      2.317410
  H      -3.706205      2.369556      1.907012
100
Coordinates from ORCA-job orca E -6707.582647209006
  N      -2.240371      3.538567      6.139091
  Mo     -2.412698      1.693112      5.429914
  N      -3.393369      0.454322      6.549228
  C      -2.781586     -0.140785      7.740977
  C      -1.831779      0.852526      8.391805
  N      -0.958815      1.482674      7.373723
  C      -0.516333      2.854603      7.739275
  C      -0.887515      3.826408      6.607323
  C       0.151044      0.615309      6.927240
  C       0.443614      0.931527      5.461794
  N      -0.802218      0.809934      4.692482
  H      -0.176274      3.731395      5.772452
  H      -0.804715      4.869701      6.959432
  H       0.564536      2.875059      7.952111
  H      -1.036845      3.151662      8.659819
  H       1.209773      0.243277      5.069853
  H       0.860209      1.946577      5.370560
  H      -0.174413     -0.431925      7.008127
  H       1.042602      0.747312      7.565372
  H      -3.550881     -0.410247      8.483430
  H      -2.267653     -1.081924      7.466986
  H      -2.432858      1.653686      8.841829
  H      -1.244419      0.370336      9.193536
  C      -3.304960      4.228757      6.870138
  C      -3.908667      5.438479      6.162059
  O      -5.029282      5.002095      5.327386
  C      -4.809989      4.809080      4.035532
  O      -3.773145      5.104198      3.440684
  C      -5.974993      4.134233      3.354989
  N      -6.503032      3.107152      4.003554
  C      -7.470046      2.407650      3.353053
  N      -7.967870      2.657796      2.158186
  C      -7.461543      3.738515      1.496602
  C      -7.984526      4.074367      0.224284
  C      -7.483937      5.161224     -0.458619
  C      -6.444625      5.948848      0.095181
  C      -5.910239      5.646559      1.329743
  C      -6.407585      4.534853      2.058191
  C      -0.884648     -0.417931      3.892495
  C      -0.393152     -0.276001      2.453920
  O      -1.439140      0.318957      1.621896
  C      -2.358633     -0.567134      1.135778
  O      -2.274878     -1.768540      1.239314
  C      -3.535684      0.143731      0.505934
  N      -4.710408     -0.308721      0.920896
  C      -5.814887      0.312561      0.427682
  N      -5.848488      1.324003     -0.418998
  C      -4.647307      1.792257     -0.864487
  C      -4.625449      2.876950     -1.775761
  C      -3.421697      3.358545     -2.242803
  C      -2.198699      2.776214     -1.827850
  C      -2.184088      1.723429     -0.937827
  C      -3.406748      1.214015     -0.426602
  C      -4.665286     -0.141288      6.134862
  C      -5.825361      0.146772      7.078260
  O      -5.989310      1.576626      7.239975
  C      -7.223457      2.083462      7.034998
  O      -8.186285      1.444252      6.650425
  C      -7.264997      3.553712      7.379506
  N      -6.432857      3.948659      8.334574
  C      -6.442583      5.267374      8.653129
  N      -7.128914      6.225861      8.061995
  C      -7.987491      5.837012      7.074570
  C      -8.737998      6.828879      6.396259
  C      -9.631324      6.463530      5.412987
  C      -9.816787      5.099462      5.081521
  C      -9.097731      4.111199      5.719719
  C      -8.148508      4.455513      6.716265
  H      -2.912191      4.579014      7.841946
  H      -4.130094      3.539710      7.113171
  H      -3.175408      5.969086      5.542437
  H      -4.369997      6.124216      6.882444
  H      -7.872262      1.547053      3.895342
  H      -8.779583      3.449618     -0.182974
  H      -7.889926      5.421808     -1.437443
  H      -6.067150      6.807570     -0.461886
  H      -5.111539      6.255293      1.751547
  H      -1.920046     -0.787213      3.865241
  H      -0.290493     -1.213504      4.376483
  H      -0.130485     -1.254015      2.032496
  H       0.454674      0.415204      2.374798
  H      -6.775123     -0.067267      0.786753
  H      -5.579612      3.300822     -2.089521
  H      -3.405823      4.191562     -2.947278
  H      -1.258875      3.162574     -2.224661
  H      -1.239900      1.276956     -0.627399
  H      -4.910261      0.238830      5.134019
  H      -4.569447     -1.241707      6.062552
  H      -6.748746     -0.288977      6.674119
  H      -5.654905     -0.256582      8.086974
  H      -5.784980      5.561359      9.477209
  H      -8.589441      7.869617      6.686298
  H     -10.211411      7.227094      4.892197
  H     -10.541035      4.827101      4.312268
  H      -9.256751      3.064083      5.474786
  N      -3.411322      1.835972      3.878130
  N      -3.047426      2.550765      2.673535
  H      -3.066336      3.588192      2.829126
  H      -2.119017      2.251485      2.322676
  H      -3.722660      2.353228      1.919475
100
Coordinates from ORCA-job orca E -6707.582686328126
  N      -2.240186      3.535754      6.142104
  Mo     -2.415516      1.690681      5.435452
  N      -3.393049      0.447894      6.556342
  C      -2.778841     -0.145581      7.747534
  C      -1.829381      0.849341      8.395436
  N      -0.959015      1.478507      7.374338
  C      -0.513604      2.850036      7.739209
  C      -0.886198      3.823205      6.608437
  C       0.149379      0.610411      6.925177
  C       0.440203      0.928391      5.459433
  N      -0.806570      0.808909      4.691434
  H      -0.175736      3.729737      5.772828
  H      -0.805268      4.866046      6.962066
  H       0.567963      2.868097      7.948450
  H      -1.030832      3.147494      8.661435
  H       1.205641      0.240079      5.066078
  H       0.857739      1.943073      5.368377
  H      -0.176993     -0.436554      7.005243
  H       1.042103      0.741015      7.561946
  H      -3.546579     -0.415677      8.491303
  H      -2.263988     -1.086218      7.473486
  H      -2.430658      1.650941      8.844476
  H      -1.239721      0.369688      9.197012
  C      -3.303043      4.232022      6.870369
  C      -3.901907      5.440667      6.156869
  O      -5.024727      5.003617      5.325068
  C      -4.808070      4.806214      4.033707
  O      -3.771082      5.096970      3.436491
  C      -5.974772      4.130981      3.356244
  N      -6.499205      3.102838      4.005989
  C      -7.464864      2.400156      3.356582
  N      -7.965094      2.648882      2.162445
  C      -7.463786      3.731961      1.500755
  C      -7.991188      4.067689      0.230297
  C      -7.495393      5.156910     -0.452506
  C      -6.456402      5.946508      0.099063
  C      -5.917727      5.644216      1.331758
  C      -6.410801      4.530788      2.060450
  C      -0.890451     -0.417955      3.889564
  C      -0.395342     -0.274411      2.452258
  O      -1.438538      0.320846      1.617691
  C      -2.354534     -0.566918      1.125298
  O      -2.268791     -1.768155      1.226007
  C      -3.531498      0.143437      0.493679
  N      -4.705833     -0.317101      0.900336
  C      -5.811419      0.304351      0.409068
  N      -5.845754      1.325893     -0.425185
  C      -4.644931      1.802115     -0.862934
  C      -4.624217      2.897338     -1.761706
  C      -3.420838      3.386012     -2.222417
  C      -2.197405      2.800660     -1.813445
  C      -2.181755      1.737964     -0.935091
  C      -3.403628      1.221798     -0.430023
  C      -4.668516     -0.144803      6.149608
  C      -5.824197      0.150697      7.095906
  O      -5.987198      1.581604      7.249555
  C      -7.221164      2.087765      7.041872
  O      -8.184271      1.446893      6.660632
  C      -7.262864      3.559730      7.378628
  N      -6.432451      3.959317      8.333202
  C      -6.442047      5.279954      8.644353
  N      -7.125828      6.235613      8.045810
  C      -7.982602      5.841811      7.058690
  C      -8.730525      6.830340      6.372798
  C      -9.622172      6.459927      5.389809
  C      -9.808433      5.094085      5.066249
  C      -9.091796      4.108943      5.711992
  C      -8.144306      4.458397      6.708354
  H      -2.909526      4.583594      7.841371
  H      -4.129495      3.545307      7.115198
  H      -3.166664      5.963688      5.533175
  H      -4.359377      6.132976      6.873349
  H      -7.863673      1.538398      3.899518
  H      -8.785693      3.441568     -0.175852
  H      -7.904864      5.417874     -1.429780
  H      -6.082597      6.806414     -0.458646
  H      -5.119345      6.254045      1.752710
  H      -1.927033     -0.783604      3.859369
  H      -0.299556     -1.215533      4.374115
  H      -0.129975     -1.251741      2.030908
  H       0.453335      0.416238      2.376635
  H      -6.771216     -0.083304      0.760969
  H      -5.578813      3.323108     -2.071472
  H      -3.405815      4.226917     -2.917469
  H      -1.257989      3.192528     -2.205826
  H      -1.237206      1.289214     -0.629238
  H      -4.915898      0.230719      5.147564
  H      -4.576652     -1.245911      6.081885
  H      -6.750101     -0.286770      6.699494
  H      -5.648484     -0.246092      8.106333
  H      -5.785993      5.577835      9.468246
  H      -8.581381      7.872624      6.656944
  H     -10.200420      7.220795      4.863069
  H     -10.531438      4.818099      4.297110
  H      -9.251266      3.060443      5.473525
  N      -3.421112      1.827801      3.887568
  N      -3.063563      2.534815      2.676888
  H      -3.084959      3.574158      2.822349
  H      -2.135807      2.234304      2.324181
  H      -3.742724      2.326866      1.928886
100
Coordinates from ORCA-job orca E -6707.582716152253
  N      -2.238324      3.533599      6.143038
  Mo     -2.415383      1.688582      5.439227
  N      -3.390895      0.444176      6.561784
  C      -2.774828     -0.148164      7.752845
  C      -1.825739      0.848401      8.398710
  N      -0.957453      1.476409      7.375167
  C      -0.510314      2.847863      7.738851
  C      -0.883332      3.820723      6.608042
  C       0.150045      0.607611      6.924710
  C       0.439461      0.925469      5.458717
  N      -0.808090      0.807123      4.691796
  H      -0.173578      3.726919      5.771985
  H      -0.802848      4.863600      6.961560
  H       0.571615      2.864764      7.946323
  H      -1.026111      3.146333      8.661517
  H       1.204347      0.236975      5.064581
  H       0.857599      1.939829      5.366912
  H      -0.177206     -0.439132      7.004094
  H       1.043228      0.737098      7.561008
  H      -3.541408     -0.419242      8.497341
  H      -2.258724     -1.088108      7.478709
  H      -2.427264      1.650454      8.846664
  H      -1.234456      0.370955      9.200434
  C      -3.300236      4.234534      6.868998
  C      -3.894636      5.442575      6.151125
  O      -5.019567      5.005998      5.321266
  C      -4.805281      4.804083      4.030119
  O      -3.767534      5.088495      3.431009
  C      -5.974628      4.131167      3.355313
  N      -6.497935      3.102413      4.004964
  C      -7.464550      2.400245      3.356511
  N      -7.966818      2.650171      2.163370
  C      -7.467693      3.734752      1.502585
  C      -7.998620      4.072992      0.234227
  C      -7.505520      5.164301     -0.447213
  C      -6.465532      5.953306      0.103325
  C      -5.923142      5.648505      1.333697
  C      -6.413664      4.533143      2.061291
  C      -0.894145     -0.419749      3.889905
  C      -0.398044     -0.276957      2.452678
  O      -1.438226      0.318897      1.615451
  C      -2.354281     -0.568784      1.121521
  O      -2.270668     -1.769677      1.225107
  C      -3.529193      0.141139      0.485498
  N      -4.704139     -0.324175      0.884558
  C      -5.809477      0.297278      0.391857
  N      -5.842553      1.324889     -0.434695
  C      -4.640952      1.806234     -0.864662
  C      -4.619059      2.908950     -1.754168
  C      -3.415027      3.402314     -2.208401
  C      -2.192168      2.813906     -1.802266
  C      -2.178025      1.744211     -0.932190
  C      -3.400266      1.224116     -0.432763
  C      -4.668852     -0.146715      6.160631
  C      -5.821553      0.153340      7.108706
  O      -5.984380      1.584947      7.256716
  C      -7.218175      2.090193      7.045439
  O      -8.180661      1.447530      6.665556
  C      -7.260908      3.563449      7.376213
  N      -6.429781      3.967743      8.328132
  C      -6.440479      5.289864      8.633811
  N      -7.126102      6.242133      8.032295
  C      -7.983760      5.843404      7.047826
  C      -8.733738      6.828318      6.359138
  C      -9.626372      6.452853      5.378923
  C      -9.811498      5.085526      5.061088
  C      -9.092813      4.103758      5.709728
  C      -8.144287      4.458434      6.703309
  H      -2.906203      4.586783      7.839539
  H      -4.127756      3.549675      7.114966
  H      -3.157485      5.959906      5.525017
  H      -4.349357      6.139774      6.864603
  H      -7.861946      1.537775      3.899328
  H      -8.793876      3.447727     -0.171759
  H      -7.917856      5.427802     -1.422598
  H      -6.093833      6.814556     -0.453726
  H      -5.123949      6.257752      1.754011
  H      -1.931104     -0.784050      3.859129
  H      -0.304209     -1.217841      4.374669
  H      -0.132656     -1.254606      2.032035
  H       0.452770      0.411360      2.378868
  H      -6.769318     -0.097630      0.735484
  H      -5.573383      3.336319     -2.062495
  H      -3.398808      4.248965     -2.896404
  H      -1.252277      3.208927     -2.190290
  H      -1.234050      1.292237     -0.629317
  H      -4.917643      0.225558      5.157621
  H      -4.579092     -1.248250      6.095933
  H      -6.749204     -0.285700      6.718279
  H      -5.641258     -0.238617      8.120252
  H      -5.783788      5.591331      9.455884
  H      -8.585519      7.871930      6.638838
  H     -10.206435      7.210785      4.849951
  H     -10.535372      4.805965      4.294060
  H      -9.251374      3.054075      5.476020
  N      -3.427526      1.822323      3.894713
  N      -3.074691      2.521544      2.677815
  H      -3.094304      3.562232      2.815803
  H      -2.149455      2.217179      2.321182
  H      -3.760215      2.307139      1.937859
100
Coordinates from ORCA-job orca E -6707.582749036698
  N      -2.238911      3.532363      6.145244
  Mo     -2.420874      1.687522      5.444898
  N      -3.392980      0.444182      6.572508
  C      -2.773076     -0.147151      7.762281
  C      -1.821645      0.850057      8.403350
  N      -0.956900      1.475166      7.375149
  C      -0.506255      2.846562      7.735462
  C      -0.881505      3.818397      6.604572
  C       0.147988      0.604658      6.921726
  C       0.433357      0.921653      5.454657
  N      -0.817186      0.805731      4.692463
  H      -0.175245      3.722330      5.765872
  H      -0.798082      4.861659      6.956280
  H       0.576447      2.862180      7.939143
  H      -1.018877      3.147009      8.659229
  H       1.195485      0.231574      5.058019
  H       0.853418      1.935040      5.360737
  H      -0.180986     -0.441598      7.001168
  H       1.042788      0.732219      7.556047
  H      -3.537104     -0.418114      8.509323
  H      -2.257277     -1.086992      7.487249
  H      -2.421348      1.653608      8.851084
  H      -1.227879      0.374436      9.204332
  C      -3.297084      4.238276      6.872776
  C      -3.890884      5.444224      6.151524
  O      -5.017332      5.005621      5.324227
  C      -4.804049      4.797497      4.033784
  O      -3.765417      5.076277      3.433420
  C      -5.974334      4.125206      3.360794
  N      -6.498676      3.097331      4.011001
  C      -7.463445      2.393647      3.361866
  N      -7.963017      2.641129      2.166857
  C      -7.464253      3.725765      1.506133
  C      -7.993627      4.062633      0.236681
  C      -7.501419      5.154520     -0.444377
  C      -6.463364      5.945287      0.107360
  C      -5.922063      5.641753      1.338407
  C      -6.411946      4.526025      2.065998
  C      -0.905928     -0.419131      3.887717
  C      -0.403564     -0.275071      2.452309
  O      -1.438455      0.322440      1.610241
  C      -2.349922     -0.565071      1.106832
  O      -2.265346     -1.766128      1.207305
  C      -3.522924      0.144133      0.466274
  N      -4.698242     -0.327271      0.857333
  C      -5.803811      0.290530      0.359672
  N      -5.836696      1.321716     -0.462042
  C      -4.634657      1.810339     -0.882696
  C      -4.612271      2.918297     -1.765460
  C      -3.407797      3.419691     -2.209953
  C      -2.184632      2.833735     -1.801037
  C      -2.171451      1.758871     -0.937275
  C      -3.394136      1.231213     -0.446855
  C      -4.673363     -0.145878      6.178255
  C      -5.821992      0.157726      7.129817
  O      -5.984958      1.589870      7.273610
  C      -7.216987      2.095510      7.052344
  O      -8.177086      1.452002      6.667782
  C      -7.261076      3.569659      7.379346
  N      -6.429696      3.977005      8.329722
  C      -6.441117      5.300062      8.632081
  N      -7.128177      6.250064      8.029159
  C      -7.986150      5.848423      7.046077
  C      -8.737361      6.831432      6.356157
  C      -9.630105      6.453317      5.377093
  C      -9.813883      5.085274      5.061691
  C      -9.093962      4.105239      5.711613
  C      -8.145448      4.462584      6.704409
  H      -2.898126      4.593171      7.840331
  H      -4.124379      3.555478      7.124741
  H      -3.153712      5.958778      5.523245
  H      -4.344758      6.144331      6.862773
  H      -7.861165      1.531750      3.905317
  H      -8.787292      3.436354     -0.170861
  H      -7.912682      5.417592     -1.420323
  H      -6.092254      6.806847     -0.449624
  H      -5.124094      6.252206      1.759296
  H      -1.943995     -0.779608      3.852038
  H      -0.320498     -1.220320      4.372833
  H      -0.136983     -1.252232      2.031389
  H       0.449390      0.411313      2.384584
  H      -6.762999     -0.110049      0.698394
  H      -5.566727      3.343381     -2.076453
  H      -3.390871      4.270790     -2.892424
  H      -1.244344      3.234736     -2.181808
  H      -1.227564      1.307089     -0.633556
  H      -4.924956      0.223785      5.174891
  H      -4.584943     -1.247737      6.115841
  H      -6.751648     -0.283181      6.746550
  H      -5.635219     -0.229677      8.141972
  H      -5.783699      5.603443      9.452876
  H      -8.590165      7.875750      6.633717
  H     -10.211300      7.209603      4.847004
  H     -10.537837      4.804027      4.295355
  H      -9.251387      3.055029      5.479715
  N      -3.439513      1.814703      3.903631
  N      -3.091547      2.505568      2.679042
  H      -3.114025      3.547635      2.808759
  H      -2.167442      2.199835      2.321004
  H      -3.780286      2.280553      1.945798
100
Coordinates from ORCA-job orca E -6707.582787009370
  N      -2.239628      3.531864      6.146659
  Mo     -2.425154      1.686356      5.450689
  N      -3.393046      0.445022      6.583474
  C      -2.768713     -0.145608      7.771607
  C      -1.815655      0.852885      8.408610
  N      -0.955037      1.476634      7.376298
  C      -0.503394      2.848610      7.733330
  C      -0.880658      3.817955      6.601534
  C       0.148322      0.605655      6.920162
  C       0.428872      0.920359      5.451926
  N      -0.824792      0.804985      4.694636
  H      -0.177335      3.719006      5.760684
  H      -0.793874      4.861992      6.950195
  H       0.579675      2.865120      7.935272
  H      -1.014915      3.150717      8.657155
  H       1.188660      0.229064      5.053086
  H       0.849681      1.933183      5.355133
  H      -0.181065     -0.440488      7.000470
  H       1.044588      0.732676      7.552421
  H      -3.529924     -0.417650      8.521023
  H      -2.252375     -1.084745      7.495116
  H      -2.414269      1.657040      8.856746
  H      -1.219173      0.379022      9.208607
  C      -3.295167      4.241553      6.875138
  C      -3.887368      5.447125      6.152175
  O      -5.014813      5.009405      5.325468
  C      -4.801081      4.795359      4.035837
  O      -3.760715      5.066863      3.435357
  C      -5.972906      4.126197      3.363381
  N      -6.501966      3.100953      4.013890
  C      -7.467056      2.399013      3.363833
  N      -7.962052      2.645159      2.166405
  C      -7.458760      3.727284      1.505219
  C      -7.983266      4.063186      0.233403
  C      -7.487420      5.153361     -0.447660
  C      -6.449991      5.943373      0.106424
  C      -5.912916      5.640616      1.339409
  C      -6.406555      4.526639      2.067169
  C      -0.915335     -0.417718      3.886867
  C      -0.411340     -0.272329      2.451806
  O      -1.443281      0.325480      1.606607
  C      -2.352737     -0.561783      1.099191
  O      -2.269253     -1.762841      1.202695
  C      -3.522500      0.145406      0.451094
  N      -4.699185     -0.329983      0.833981
  C      -5.803431      0.283399      0.327554
  N      -5.834251      1.314072     -0.494742
  C      -4.630835      1.808292     -0.905178
  C      -4.605857      2.918267     -1.785045
  C      -3.400074      3.426417     -2.218184
  C      -2.177569      2.844279     -1.801415
  C      -2.167506      1.767163     -0.940477
  C      -3.391747      1.233493     -0.460195
  C      -4.674564     -0.146207      6.194269
  C      -5.819901      0.157778      7.149434
  O      -5.984477      1.589994      7.291571
  C      -7.214113      2.095995      7.057101
  O      -8.170140      1.451757      6.663674
  C      -7.260542      3.570663      7.382403
  N      -6.427603      3.980780      8.330231
  C      -6.440527      5.304209      8.631262
  N      -7.131165      6.252108      8.029639
  C      -7.991127      5.847981      7.049299
  C      -8.746509      6.829333      6.361660
  C      -9.641431      6.449139      5.385448
  C      -9.823131      5.080644      5.070949
  C      -9.099207      4.102146      5.718753
  C      -8.148447      4.461565      6.708816
  H      -2.892697      4.597844      7.840732
  H      -4.123144      3.561101      7.130906
  H      -3.149341      5.960499      5.524001
  H      -4.341066      6.148471      6.862406
  H      -7.869149      1.539820      3.908321
  H      -8.776651      3.437903     -0.176257
  H      -7.894918      5.416040     -1.425277
  H      -6.075985      6.803797     -0.450390
  H      -5.115062      6.250550      1.761300
  H      -1.953303     -0.778169      3.850018
  H      -0.329989     -1.220191      4.370034
  H      -0.144797     -1.249184      2.030269
  H       0.442684      0.413072      2.387413
  H      -6.762798     -0.122513      0.659304
  H      -5.559710      3.339819     -2.102561
  H      -3.380739      4.279723     -2.897830
  H      -1.235949      3.249804     -2.173881
  H      -1.224632      1.315885     -0.632627
  H      -4.929027      0.222406      5.191198
  H      -4.585530     -1.248096      6.132615
  H      -6.750610     -0.285606      6.771813
  H      -5.627072     -0.226369      8.161700
  H      -5.780429      5.609140      9.449356
  H      -8.600924      7.874107      6.638300
  H     -10.225933      7.203985      4.856945
  H     -10.548864      4.797921      4.306834
  H      -9.255068      3.051646      5.487400
  N      -3.451553      1.809853      3.913916
  N      -3.109815      2.490365      2.680496
  H      -3.128922      3.533318      2.803285
  H      -2.189485      2.178650      2.318069
  H      -3.806265      2.258377      1.957658
100
Coordinates from ORCA-job orca E -6707.582841876022
  N      -2.242579      3.532745      6.150527
  Mo     -2.436179      1.686424      5.459514
  N      -3.397860      0.449840      6.601175
  C      -2.766523     -0.140733      7.785622
  C      -1.807942      0.857160      8.415197
  N      -0.953556      1.478418      7.376367
  C      -0.498869      2.850745      7.728228
  C      -0.880539      3.817487      6.596095
  C       0.145924      0.605916      6.914447
  C       0.417710      0.917797      5.443957
  N      -0.841999      0.804244      4.696266
  H      -0.183192      3.714134      5.750680
  H      -0.786808      4.862449      6.940348
  H       0.584978      2.867689      7.926264
  H      -1.007073      3.155148      8.653140
  H       1.172352      0.223543      5.040736
  H       0.840653      1.929323      5.342704
  H      -0.184446     -0.439797      6.997457
  H       1.045818      0.731950      7.541666
  H      -3.523062     -0.411752      8.540076
  H      -2.252654     -1.080450      7.506418
  H      -2.402570      1.662787      8.865999
  H      -1.207288      0.383658      9.212256
  C      -3.292204      4.246200      6.884027
  C      -3.885946      5.451568      6.162206
  O      -5.013431      5.014274      5.335399
  C      -4.796741      4.792495      4.047471
  O      -3.753692      5.056398      3.448476
  C      -5.968123      4.124026      3.374194
  N      -6.504766      3.104375      4.027279
  C      -7.466321      2.400254      3.374847
  N      -7.949648      2.637907      2.170704
  C      -7.439301      3.714696      1.506399
  C      -7.951612      4.041944      0.227301
  C      -7.449425      5.127216     -0.456753
  C      -6.417097      5.920923      0.101670
  C      -5.891331      5.626311      1.341438
  C      -6.391476      4.517337      2.072306
  C      -0.935044     -0.413380      3.881437
  C      -0.424424     -0.263513      2.448582
  O      -1.452065      0.336121      1.598773
  C      -2.355341     -0.550541      1.079967
  O      -2.270544     -1.751914      1.181630
  C      -3.521159      0.154381      0.422347
  N      -4.699509     -0.326492      0.794901
  C      -5.801832      0.279021      0.275252
  N      -5.830455      1.305783     -0.551991
  C      -4.625704      1.807713     -0.949141
  C      -4.597730      2.916338     -1.830367
  C      -3.390602      3.434640     -2.247169
  C      -2.168701      2.863284     -1.813290
  C      -2.161961      1.786568     -0.952142
  C      -3.388203      1.242853     -0.487566
  C      -4.680906     -0.143125      6.218781
  C      -5.820875      0.160716      7.180616
  O      -5.987604      1.592682      7.322263
  C      -7.213034      2.099923      7.068046
  O      -8.162705      1.455581      6.659665
  C      -7.262612      3.574978      7.392838
  N      -6.428149      3.987777      8.338228
  C      -6.442423      5.311242      8.638540
  N      -7.137549      6.257277      8.039460
  C      -7.999834      5.850899      7.062170
  C      -8.760256      6.830897      6.378129
  C      -9.657759      6.449236      5.404957
  C      -9.836758      5.080495      5.090153
  C      -9.107845      4.103300      5.734323
  C      -8.154492      4.464077      6.721546
  H      -2.882495      4.604498      7.845863
  H      -4.120503      3.568853      7.146909
  H      -3.148503      5.967375      5.535337
  H      -4.340941      6.151133      6.873450
  H      -7.874833      1.545935      3.922171
  H      -8.741319      3.414080     -0.185542
  H      -7.847513      5.383291     -1.439970
  H      -6.037995      6.777870     -0.457057
  H      -5.097149      6.239389      1.765654
  H      -1.973984     -0.770239      3.839476
  H      -0.353810     -1.220712      4.361732
  H      -0.156681     -1.239081      2.025123
  H       0.429687      0.422350      2.391026
  H      -6.761632     -0.131172      0.600344
  H      -5.550718      3.329493     -2.161164
  H      -3.368800      4.287863     -2.926856
  H      -1.225457      3.276457     -2.172901
  H      -1.220021      1.340789     -0.633373
  H      -4.940827      0.225466      5.217154
  H      -4.591177     -1.244950      6.157149
  H      -6.753012     -0.285684      6.810245
  H      -5.619821     -0.220075      8.192489
  H      -5.779904      5.617518      9.454198
  H      -8.616605      7.875896      6.654863
  H     -10.246230      7.202923      4.879210
  H     -10.564573      4.796410      4.328518
  H      -9.261622      3.052709      5.502223
  N      -3.471786      1.804686      3.929182
  N      -3.137888      2.472747      2.684871
  H      -3.153816      3.516619      2.799658
  H      -2.221405      2.154479      2.318685
  H      -3.841546      2.230829      1.973100
100
Coordinates from ORCA-job orca E -6707.582912610903
  N      -2.245616      3.534847      6.155350
  Mo     -2.448176      1.686915      5.469373
  N      -3.402300      0.456230      6.621168
  C      -2.762179     -0.135114      7.800413
  C      -1.796937      0.861497      8.422032
  N      -0.950132      1.481770      7.376552
  C      -0.493520      2.854644      7.723093
  C      -0.880629      3.818353      6.590726
  C       0.145183      0.608318      6.907434
  C       0.405803      0.916110      5.434311
  N      -0.860952      0.803301      4.697980
  H      -0.189620      3.710367      5.740496
  H      -0.779326      4.864346      6.929924
  H       0.591002      2.872926      7.917632
  H      -0.998552      3.161055      8.649125
  H       1.154690      0.218505      5.026435
  H       0.830326      1.926417      5.327470
  H      -0.185048     -0.437101      6.995338
  H       1.049966      0.734866      7.527496
  H      -3.512907     -0.404842      8.561133
  H      -2.252028     -1.075742      7.517322
  H      -2.386764      1.667813      8.877869
  H      -1.191064      0.386945      9.214487
  C      -3.288650      4.251173      6.894664
  C      -3.882972      5.459265      6.177488
  O      -5.010088      5.026337      5.348410
  C      -4.788800      4.796163      4.062747
  O      -3.742523      5.051423      3.466053
  C      -5.959762      4.128183      3.388280
  N      -6.505680      3.116545      4.046020
  C      -7.463144      2.408713      3.391754
  N      -7.932446      2.634321      2.179614
  C      -7.412693      3.703064      1.509527
  C      -7.909652      4.017184      0.221126
  C      -7.398395      5.094401     -0.468823
  C      -6.371834      5.893033      0.093160
  C      -5.860721      5.610896      1.342002
  C      -6.370056      4.510167      2.078686
  C      -0.956705     -0.407784      3.874425
  C      -0.445260     -0.251225      2.442416
  O      -1.472404      0.350313      1.592004
  C      -2.371667     -0.535294      1.065388
  O      -2.287808     -1.736893      1.169444
  C      -3.530379      0.167981      0.393989
  N      -4.712832     -0.314984      0.752649
  C      -5.809076      0.283059      0.212960
  N      -5.829608      1.302314     -0.624238
  C      -4.621164      1.808381     -1.004418
  C      -4.583989      2.910991     -1.892749
  C      -3.373065      3.435751     -2.289139
  C      -2.155425      2.876004     -1.828315
  C      -2.157662      1.803656     -0.962109
  C      -3.388752      1.253541     -0.517639
  C      -4.686443     -0.139945      6.245691
  C      -5.819919      0.161156      7.216616
  O      -5.991217      1.592249      7.359344
  C      -7.211238      2.100137      7.080389
  O      -8.151869      1.455193      6.652506
  C      -7.265809      3.575600      7.404816
  N      -6.429454      3.992502      8.346829
  C      -6.445847      5.315780      8.646024
  N      -7.146537      6.259407      8.049449
  C      -8.011850      5.849446      7.076559
  C      -8.779253      6.827130      6.396825
  C      -9.680625      6.443002      5.428321
  C      -9.856236      5.073720      5.114163
  C      -9.120339      4.098793      5.753812
  C      -8.163109      4.461847      6.736554
  H      -2.872366      4.609379      7.853808
  H      -4.118769      3.577886      7.162525
  H      -3.145540      5.979562      5.554228
  H      -4.339005      6.154531      6.892294
  H      -7.880385      1.561870      3.944014
  H      -8.695324      3.385589     -0.193714
  H      -7.784529      5.339895     -1.459466
  H      -5.985459      6.744063     -0.469593
  H      -5.070950      6.228401      1.768016
  H      -1.996194     -0.762821      3.831633
  H      -0.376046     -1.219667      4.348057
  H      -0.177702     -1.225133      2.015372
  H       0.407071      0.436952      2.387979
  H      -6.772106     -0.127375      0.528094
  H      -5.533336      3.315068     -2.244485
  H      -3.344224      4.285243     -2.973238
  H      -1.208315      3.294083     -2.171671
  H      -1.219285      1.364048     -0.624866
  H      -4.954157      0.230279      5.246883
  H      -4.594892     -1.241458      6.182597
  H      -6.752791     -0.289887      6.853730
  H      -5.609428     -0.216494      8.227598
  H      -5.780106      5.624793      9.458046
  H      -8.637815      7.872518      6.673182
  H     -10.274430      7.194924      4.906067
  H     -10.587139      4.786906      4.356501
  H      -9.271519      3.047952      5.521486
  N      -3.494718      1.804388      3.947882
  N      -3.172784      2.457897      2.691973
  H      -3.178960      3.502263      2.799981
  H      -2.263396      2.127935      2.317929
  H      -3.889431      2.210501      1.995540
100
Coordinates from ORCA-job orca E -6707.582984640575
  N      -2.247566      3.537153      6.159230
  Mo     -2.458656      1.687966      5.475354
  N      -3.408295      0.462635      6.635019
  C      -2.761673     -0.129894      7.809807
  C      -1.788774      0.863499      8.424557
  N      -0.947296      1.482635      7.374091
  C      -0.487638      2.855275      7.716665
  C      -0.879727      3.818166      6.585275
  C       0.143466      0.607276      6.898808
  C       0.395002      0.912066      5.423614
  N      -0.877326      0.800445      4.696473
  H      -0.194168      3.707276      5.730877
  H      -0.772613      4.864490      6.921864
  H       0.597618      2.872862      7.907245
  H      -0.988436      3.163193      8.644547
  H       1.138832      0.211105      5.012319
  H       0.821459      1.921100      5.312472
  H      -0.187122     -0.437534      6.992109
  H       1.053139      0.734361      7.511706
  H      -3.507908     -0.395526      8.576486
  H      -2.257701     -1.073049      7.523992
  H      -2.372762      1.670741      8.886203
  H      -1.178891      0.385788      9.212045
  C      -3.284602      4.254844      6.903779
  C      -3.880547      5.465910      6.192122
  O      -5.008078      5.037214      5.361885
  C      -4.783767      4.800702      4.078095
  O      -3.735727      5.050963      3.482570
  C      -5.953409      4.129284      3.403728
  N      -6.503394      3.123902      4.067536
  C      -7.454766      2.407807      3.412960
  N      -7.913038      2.618960      2.194081
  C      -7.390042      3.682180      1.517408
  C      -7.876162      3.981150      0.221395
  C      -7.361354      5.052246     -0.475381
  C      -6.342089      5.859556      0.087256
  C      -5.841613      5.592036      1.343783
  C      -6.354606      4.497718      2.087234
  C      -0.976015     -0.405354      3.866425
  C      -0.463288     -0.243000      2.435764
  O      -1.490942      0.362169      1.586867
  C      -2.387191     -0.521392      1.052365
  O      -2.304912     -1.723240      1.155208
  C      -3.538480      0.184043      0.370580
  N      -4.725369     -0.297999      0.716693
  C      -5.814627      0.298286      0.162617
  N      -5.825168      1.312207     -0.681676
  C      -4.612526      1.817712     -1.048196
  C      -4.564728      2.914042     -1.944026
  C      -3.349471      3.439677     -2.325061
  C      -2.137496      2.887379     -1.840935
  C      -2.149281      1.819872     -0.969127
  C      -3.385667      1.267904     -0.541251
  C      -4.694157     -0.134599      6.265864
  C      -5.821579      0.165504      7.244880
  O      -5.995223      1.595912      7.387936
  C      -7.212175      2.103734      7.095711
  O      -8.147893      1.457959      6.658400
  C      -7.269679      3.579828      7.417798
  N      -6.432353      4.001085      8.357091
  C      -6.450158      5.324538      8.653145
  N      -7.154423      6.265778      8.056222
  C      -8.021516      5.851513      7.087001
  C      -8.793593      6.826078      6.407816
  C      -9.697576      6.438284      5.443271
  C      -9.870982      5.067948      5.132494
  C      -9.130307      4.096049      5.771237
  C      -8.170472      4.462725      6.750061
  H      -2.863739      4.612267      7.861345
  H      -4.116295      3.584506      7.174728
  H      -3.144229      5.990391      5.570897
  H      -4.336057      6.156812      6.911393
  H      -7.875329      1.566088      3.970406
  H      -8.656409      3.342641     -0.192997
  H      -7.739203      5.285363     -1.472187
  H      -5.952711      6.705773     -0.480640
  H      -5.057855      6.216897      1.770153
  H      -2.016987     -0.755848      3.822406
  H      -0.398448     -1.222415      4.335226
  H      -0.196584     -1.215558      2.005351
  H       0.387352      0.447212      2.382584
  H      -6.782179     -0.109182      0.467726
  H      -5.509434      3.312701     -2.313955
  H      -3.312992      4.284417     -3.014667
  H      -1.186421      3.307117     -2.171161
  H      -1.214881      1.385987     -0.614293
  H      -4.969372      0.237316      5.269895
  H      -4.602421     -1.235939      6.201618
  H      -6.755364     -0.288302      6.887559
  H      -5.604668     -0.210244      8.255050
  H      -5.783355      5.637421      9.462809
  H      -8.653357      7.872213      6.681974
  H     -10.294872      7.188022      4.921868
  H     -10.603921      4.777283      4.378269
  H      -9.279691      3.044500      5.540963
  N      -3.511586      1.806147      3.960243
  N      -3.199556      2.451352      2.697834
  H      -3.198509      3.495976      2.802499
  H      -2.295073      2.113616      2.318054
  H      -3.924145      2.203536      2.009478
100
Coordinates from ORCA-job orca E -6707.583068455224
  N      -2.251708      3.539658      6.161598
  Mo     -2.467164      1.688785      5.478313
  N      -3.412565      0.465961      6.644340
  C      -2.759542     -0.126546      7.815357
  C      -1.780754      0.864731      8.424036
  N      -0.944247      1.484163      7.369664
  C      -0.483250      2.856889      7.709243
  C      -0.881673      3.819934      6.579762
  C       0.143285      0.607800      6.889336
  C       0.386677      0.909705      5.412411
  N      -0.889572      0.797178      4.692367
  H      -0.200058      3.709093      5.722184
  H      -0.773529      4.866215      6.916229
  H       0.602815      2.873842      7.895026
  H      -0.979143      3.165286      8.639647
  H       1.127659      0.206732      4.999235
  H       0.813477      1.918176      5.297372
  H      -0.186223     -0.436664      6.988880
  H       1.057683      0.737416      7.494860
  H      -3.501520     -0.387919      8.587775
  H      -2.261255     -1.072147      7.527680
  H      -2.359962      1.671862      8.891785
  H      -1.166540      0.383938      9.206333
  C      -3.284772      4.257535      6.908979
  C      -3.880365      5.472835      6.203036
  O      -5.009379      5.050416      5.371906
  C      -4.783221      4.808371      4.089861
  O      -3.733909      5.054253      3.494750
  C      -5.951936      4.133398      3.415863
  N      -6.505210      3.134678      4.086764
  C      -7.449873      2.408765      3.432206
  N      -7.897581      2.604446      2.207075
  C      -7.372519      3.662512      1.523221
  C      -7.848873      3.945550      0.220239
  C      -7.331035      5.010626     -0.483710
  C      -6.318475      5.826580      0.078044
  C      -5.827606      5.574230      1.341749
  C      -6.344371      4.486891      2.092542
  C      -0.991251     -0.405326      3.858814
  C      -0.481773     -0.238189      2.428287
  O      -1.512505      0.370467      1.584114
  C      -2.409001     -0.511037      1.046087
  O      -2.330980     -1.712738      1.150192
  C      -3.550855      0.199277      0.353346
  N      -4.743534     -0.278304      0.684879
  C      -5.823336      0.321725      0.118085
  N      -5.819163      1.333009     -0.729998
  C      -4.600402      1.832455     -1.082970
  C      -4.537749      2.922681     -1.985908
  C      -3.316044      3.442723     -2.353626
  C      -2.112667      2.892172     -1.847310
  C      -2.137937      1.829876     -0.969451
  C      -3.381119      1.282045     -0.557513
  C      -4.700491     -0.131871      6.283162
  C      -5.821649      0.168424      7.269894
  O      -5.996825      1.598437      7.411539
  C      -7.213074      2.105245      7.115216
  O      -8.147457      1.458163      6.676847
  C      -7.272129      3.582042      7.433621
  N      -6.433734      4.007515      8.370079
  C      -6.452271      5.331325      8.661950
  N      -7.158544      6.270434      8.062889
  C      -8.027060      5.851743      7.097120
  C      -8.802150      6.822972      6.416299
  C      -9.708460      6.431108      5.455627
  C      -9.881117      5.059473      5.150067
  C      -9.137241      4.090770      5.789963
  C      -8.175162      4.461545      6.764961
  H      -2.863058      4.612267      7.867322
  H      -4.118503      3.589109      7.178972
  H      -3.144551      5.999279      5.582711
  H      -4.332985      6.160641      6.926908
  H      -7.873169      1.572431      3.995561
  H      -8.624002      3.299988     -0.192614
  H      -7.701783      5.230986     -1.486068
  H      -5.926219      6.667304     -0.495978
  H      -5.049350      6.205949      1.768128
  H      -2.033669     -0.751836      3.816796
  H      -0.415189     -1.225980      4.323362
  H      -0.216661     -1.209720      1.994584
  H       0.367177      0.453728      2.372154
  H      -6.797497     -0.078548      0.411670
  H      -5.475888      3.320665     -2.372938
  H      -3.268842      4.281934     -3.049304
  H      -1.156180      3.309247     -2.165300
  H      -1.209254      1.400079     -0.595868
  H      -4.984026      0.240512      5.289817
  H      -4.608969     -1.233142      6.218675
  H      -6.756484     -0.287785      6.918106
  H      -5.599326     -0.205270      8.279499
  H      -5.785206      5.648667      9.469637
  H      -8.661778      7.869994      6.687069
  H     -10.307948      7.178621      4.933554
  H     -10.615799      4.764630      4.399165
  H      -9.285806      3.038304      5.563423
  N      -3.525496      1.809250      3.968934
  N      -3.226925      2.449169      2.702924
  H      -3.216238      3.494077      2.805899
  H      -2.328658      2.104257      2.313428
  H      -3.961572      2.207069      2.022364
100
Coordinates from ORCA-job orca E -6707.583131376560
  N      -2.258430      3.539781      6.164698
  Mo     -2.477262      1.687347      5.483958
  N      -3.415831      0.464239      6.657732
  C      -2.755102     -0.124583      7.826209
  C      -1.772356      0.867882      8.426095
  N      -0.942415      1.485837      7.365507
  C      -0.479245      2.858909      7.700455
  C      -0.885829      3.821350      6.573193
  C       0.142149      0.608520      6.880029
  C       0.376826      0.908125      5.400986
  N      -0.903207      0.794315      4.688358
  H      -0.209025      3.711507      5.711778
  H      -0.779060      4.867665      6.909910
  H       0.608130      2.874945      7.878280
  H      -0.968064      3.168345      8.634245
  H       1.115706      0.204153      4.985471
  H       0.803434      1.916255      5.281878
  H      -0.186217     -0.435722      6.984599
  H       1.060910      0.740446      7.478530
  H      -3.492061     -0.382343      8.604715
  H      -2.259961     -1.071753      7.538308
  H      -2.348060      1.675575      8.897125
  H      -1.152540      0.387754      9.204454
  C      -3.287060      4.260593      6.914094
  C      -3.879703      5.478290      6.209633
  O      -5.010689      5.059987      5.378889
  C      -4.783417      4.810259      4.098908
  O      -3.731252      5.046894      3.504703
  C      -5.952638      4.135912      3.424675
  N      -6.512385      3.144183      4.100442
  C      -7.451682      2.412278      3.444071
  N      -7.887556      2.596054      2.212919
  C      -7.358046      3.649517      1.524760
  C      -7.824461      3.921915      0.216044
  C      -7.301621      4.982311     -0.491533
  C      -6.293386      5.802495      0.071335
  C      -5.811802      5.559908      1.340640
  C      -6.334900      4.478605      2.095610
  C      -1.007998     -0.405687      3.851869
  C      -0.496338     -0.234459      2.422675
  O      -1.526606      0.376575      1.578902
  C      -2.419371     -0.504554      1.031747
  O      -2.342138     -1.706096      1.132974
  C      -3.554624      0.209339      0.330089
  N      -4.750566     -0.268412      0.647734
  C      -5.824443      0.334269      0.072847
  N      -5.810383      1.346341     -0.774456
  C      -4.587783      1.844439     -1.114922
  C      -4.515522      2.933156     -2.019318
  C      -3.289742      3.452361     -2.375146
  C      -2.092465      2.903839     -1.853251
  C      -2.126957      1.842906     -0.973802
  C      -3.373731      1.294674     -0.576140
  C      -4.706236     -0.134262      6.308444
  C      -5.821146      0.172220      7.300357
  O      -5.996450      1.602971      7.433540
  C      -7.212929      2.108205      7.135842
  O      -8.147700      1.459131      6.701033
  C      -7.272794      3.586157      7.448117
  N      -6.432537      4.016362      8.380740
  C      -6.452074      5.341057      8.667567
  N      -7.161290      6.277097      8.066676
  C      -8.031855      5.853380      7.105073
  C      -8.810684      6.820732      6.422897
  C      -9.719756      6.423902      5.466936
  C      -9.891392      5.050833      5.167211
  C      -9.143692      4.085781      5.808189
  C      -8.178929      4.461665      6.778537
  H      -2.863427      4.613375      7.872415
  H      -4.122296      3.594382      7.184987
  H      -3.142968      6.002084      5.588130
  H      -4.328671      6.167393      6.934430
  H      -7.879792      1.581102      4.011411
  H      -8.596208      3.272999     -0.197678
  H      -7.665391      5.194896     -1.498117
  H      -5.896647      6.638477     -0.506526
  H      -5.036785      6.194309      1.768907
  H      -2.052315     -0.745970      3.807329
  H      -0.437098     -1.230484      4.315479
  H      -0.229511     -1.204461      1.986520
  H       0.352435      0.457813      2.368156
  H      -6.802375     -0.064809      0.355309
  H      -5.449182      3.330502     -2.417672
  H      -3.235558      4.289543     -3.072745
  H      -1.132652      3.321692     -2.160158
  H      -1.202047      1.417765     -0.586207
  H      -4.996879      0.232872      5.315123
  H      -4.615912     -1.235952      6.249018
  H      -6.757934     -0.286820      6.957469
  H      -5.592446     -0.194681      8.311010
  H      -5.784002      5.663021      9.472568
  H      -8.670465      7.868827      6.689641
  H     -10.322254      7.168552      4.944239
  H     -10.628261      4.751806      4.420120
  H      -9.291233      3.032194      5.586316
  N      -3.542671      1.802969      3.980585
  N      -3.258110      2.435307      2.708666
  H      -3.239907      3.481464      2.804887
  H      -2.366038      2.085580      2.307752
  H      -4.002935      2.191789      2.038785
100
Coordinates from ORCA-job orca E -6707.583192022056
  N      -2.264307      3.538370      6.164386
  Mo     -2.480813      1.684353      5.485803
  N      -3.412883      0.457757      6.665043
  C      -2.745497     -0.124915      7.833094
  C      -1.762742      0.871658      8.425975
  N      -0.937902      1.488916      7.360619
  C      -0.475032      2.863132      7.691578
  C      -0.890152      3.824349      6.566006
  C       0.146383      0.612247      6.873523
  C       0.374851      0.909439      5.393465
  N      -0.906443      0.791313      4.685549
  H      -0.216389      3.717136      5.702093
  H      -0.789167      4.870821      6.903867
  H       0.613595      2.879582      7.861349
  H      -0.957226      3.173139      8.628604
  H       1.114793      0.206642      4.977454
  H       0.798895      1.918296      5.270807
  H      -0.179469     -0.432276      6.982053
  H       1.067569      0.748207      7.467401
  H      -3.478625     -0.381089      8.615827
  H      -2.249662     -1.072143      7.546730
  H      -2.338025      1.679098      8.897844
  H      -1.138035      0.394468      9.202344
  C      -3.292598      4.259380      6.913485
  C      -3.880494      5.480567      6.210763
  O      -5.013551      5.068303      5.378880
  C      -4.786443      4.817998      4.098856
  O      -3.731899      5.049410      3.506338
  C      -5.957410      4.150195      3.420910
  N      -6.527500      3.164606      4.097176
  C      -7.466823      2.435383      3.437144
  N      -7.892856      2.616332      2.202258
  C      -7.353738      3.664986      1.513762
  C      -7.811067      3.935246      0.201421
  C      -7.278266      4.990904     -0.506023
  C      -6.268672      5.806953      0.059684
  C      -5.795316      5.566041      1.332434
  C      -6.329416      4.490237      2.088044
  C      -1.012763     -0.410087      3.852222
  C      -0.507019     -0.236496      2.422082
  O      -1.539956      0.376358      1.584307
  C      -2.433436     -0.504665      1.036072
  O      -2.359048     -1.705914      1.137836
  C      -3.561125      0.212438      0.326570
  N      -4.761027     -0.257968      0.636422
  C      -5.827640      0.347855      0.051023
  N      -5.800639      1.354549     -0.802288
  C      -4.572687      1.842772     -1.137360
  C      -4.488657      2.921837     -2.052264
  C      -3.257666      3.431195     -2.405104
  C      -2.067594      2.884169     -1.866595
  C      -2.113171      1.833215     -0.975099
  C      -3.365253      1.292967     -0.583128
  C      -4.704522     -0.141664      6.325794
  C      -5.817461      0.171905      7.317109
  O      -5.990958      1.603751      7.440548
  C      -7.210647      2.105838      7.151565
  O      -8.147520      1.454088      6.725148
  C      -7.273088      3.583798      7.461759
  N      -6.427985      4.017987      8.388174
  C      -6.451344      5.342860      8.674130
  N      -7.169246      6.275331      8.077820
  C      -8.044697      5.847147      7.122662
  C      -8.833431      6.810271      6.445890
  C      -9.747816      6.408488      5.497146
  C      -9.914815      5.034476      5.198943
  C      -9.157284      4.073422      5.834376
  C      -8.187495      4.454656      6.797588
  H      -2.871417      4.607130      7.874860
  H      -4.128594      3.592592      7.179950
  H      -3.141889      6.001137      5.588821
  H      -4.325740      6.171048      6.936464
  H      -7.902557      1.608567      4.005099
  H      -8.584032      3.289622     -0.214998
  H      -7.635842      5.202652     -1.514992
  H      -5.863971      6.638354     -0.519293
  H      -5.018980      6.196458      1.763924
  H      -2.057525     -0.749384      3.810684
  H      -0.441178     -1.234129      4.316002
  H      -0.240064     -1.204950      1.982260
  H       0.342447      0.454826      2.365021
  H      -6.810268     -0.042223      0.329722
  H      -5.417274      3.319849     -2.461661
  H      -3.194834      4.259728     -3.112216
  H      -1.103809      3.296081     -2.169113
  H      -1.192287      1.414863     -0.571054
  H      -4.998826      0.217781      5.330500
  H      -4.614789     -1.243850      6.273137
  H      -6.755533     -0.287983      6.978952
  H      -5.587313     -0.189209      8.329622
  H      -5.779370      5.668849      9.474245
  H      -8.695787      7.858971      6.711670
  H     -10.358220      7.149853      4.978969
  H     -10.655792      4.731655      4.457482
  H      -9.300927      3.018949      5.614277
  N      -3.551463      1.800218      3.985158
  N      -3.279697      2.432402      2.713313
  H      -3.253330      3.478775      2.809014
  H      -2.394775      2.076647      2.300101
  H      -4.033816      2.204310      2.048996
100
Coordinates from ORCA-job orca E -6707.583251202366
  N      -2.271478      3.533825      6.168501
  Mo     -2.489155      1.678868      5.495113
  N      -3.413637      0.451649      6.682006
  C      -2.739362     -0.124397      7.849558
  C      -1.754926      0.876643      8.431994
  N      -0.937115      1.489343      7.358582
  C      -0.470835      2.864412      7.682914
  C      -0.894914      3.823481      6.559273
  C       0.144524      0.610853      6.867889
  C       0.365957      0.906692      5.386052
  N      -0.918428      0.788453      4.683966
  H      -0.227252      3.716716      5.690676
  H      -0.794471      4.870289      6.896146
  H       0.619405      2.880571      7.841991
  H      -0.944177      3.176364      8.623774
  H       1.104440      0.204016      4.967115
  H       0.789760      1.915446      5.260864
  H      -0.182094     -0.433332      6.977931
  H       1.068075      0.746509      7.458030
  H      -3.467961     -0.378227      8.637296
  H      -2.243247     -1.072058      7.565105
  H      -2.328494      1.686187      8.902309
  H      -1.125001      0.404584      9.207292
  C      -3.295111      4.262704      6.916403
  C      -3.875236      5.484411      6.208785
  O      -5.011468      5.073874      5.379597
  C      -4.786571      4.810831      4.101921
  O      -3.729841      5.026552      3.507087
  C      -5.961364      4.146270      3.428895
  N      -6.533544      3.164355      4.108761
  C      -7.473445      2.434157      3.450755
  N      -7.896456      2.609692      2.213959
  C      -7.355649      3.655212      1.521827
  C      -7.809658      3.920135      0.207202
  C      -7.275505      4.973451     -0.502845
  C      -6.268096      5.792483      0.062355
  C      -5.797432      5.556490      1.336898
  C      -6.332350      4.482779      2.094938
  C      -1.028117     -0.411154      3.848159
  C      -0.518066     -0.235778      2.418930
  O      -1.546835      0.378782      1.577670
  C      -2.433353     -0.501596      1.014514
  O      -2.357889     -1.703120      1.110785
  C      -3.555253      0.220078      0.298160
  N      -4.758004     -0.250800      0.595140
  C      -5.819576      0.359316      0.003634
  N      -5.784193      1.371085     -0.843094
  C      -4.552710      1.859647     -1.165304
  C      -4.459706      2.943586     -2.073157
  C      -3.224896      3.452749     -2.413782
  C      -2.040209      2.900560     -1.868671
  C      -2.095963      1.845415     -0.982490
  C      -3.351051      1.305603     -0.603448
  C      -4.707080     -0.148911      6.354937
  C      -5.815722      0.177510      7.346361
  O      -5.987939      1.611247      7.453543
  C      -7.208181      2.111575      7.163477
  O      -8.145846      1.457270      6.742650
  C      -7.270613      3.591232      7.465974
  N      -6.421839      4.030056      8.386912
  C      -6.445561      5.356305      8.667635
  N      -7.167231      6.285229      8.071047
  C      -8.046436      5.852443      7.121366
  C      -8.839454      6.812217      6.444956
  C      -9.757495      6.405786      5.501820
  C      -9.923866      5.030567      5.208991
  C      -9.162206      4.072628      5.844203
  C      -8.188891      4.458613      6.802008
  H      -2.871239      4.609875      7.876888
  H      -4.133547      3.600361      7.185417
  H      -3.133421      5.996746      5.583963
  H      -4.316705      6.181728      6.930272
  H      -7.911102      1.610580      4.021992
  H      -8.581296      3.273180     -0.209670
  H      -7.630670      5.181580     -1.513402
  H      -5.863003      6.622095     -0.518926
  H      -5.022073      6.188165      1.768295
  H      -2.074068     -0.745925      3.802120
  H      -0.461265     -1.238087      4.312531
  H      -0.249714     -1.203080      1.977322
  H       0.333876      0.453056      2.367171
  H      -6.804241     -0.031890      0.273162
  H      -5.384543      3.345831     -2.487050
  H      -3.154785      4.284918     -3.115909
  H      -1.073188      3.312075     -2.161068
  H      -1.178971      1.424660     -0.571905
  H      -5.004262      0.199355      5.356362
  H      -4.619203     -1.251815      6.313551
  H      -6.755985     -0.285450      7.018899
  H      -5.580075     -0.171141      8.362131
  H      -5.769388      5.686089      9.462648
  H      -8.701981      7.862016      6.706438
  H     -10.371386      7.144349      4.983746
  H     -10.667705      4.724732      4.471646
  H      -9.305020      3.017179      5.628361
  N      -3.567744      1.780507      4.000048
  N      -3.312808      2.401321      2.719196
  H      -3.276231      3.448886      2.804112
  H      -2.436264      2.042644      2.289563
  H      -4.081473      2.166252      2.073070
100
Coordinates from ORCA-job orca E -6707.583315090915
  N      -2.274683      3.529759      6.171237
  Mo     -2.492626      1.676089      5.499597
  N      -3.414441      0.449393      6.689469
  C      -2.738847     -0.122168      7.858558
  C      -1.753486      0.881183      8.435416
  N      -0.937120      1.488067      7.357686
  C      -0.466501      2.863226      7.677231
  C      -0.896205      3.821300      6.554852
  C       0.141996      0.606783      6.866596
  C       0.362360      0.904338      5.384789
  N      -0.923154      0.789057      4.684566
  H      -0.233409      3.713854      5.682621
  H      -0.793680      4.868357      6.890245
  H       0.624929      2.878508      7.828041
  H      -0.932829      3.177029      8.620967
  H       1.099517      0.201817      4.963364
  H       0.787438      1.912730      5.260544
  H      -0.188170     -0.436692      6.973864
  H       1.065318      0.738328      7.457817
  H      -3.466616     -0.374294      8.647611
  H      -2.241680     -1.070153      7.576962
  H      -2.326269      1.693827      8.901353
  H      -1.123155      0.413184      9.212805
  C      -3.295328      4.262434      6.920467
  C      -3.874207      5.482982      6.210680
  O      -5.011683      5.070479      5.383684
  C      -4.787901      4.804857      4.106184
  O      -3.730945      5.017878      3.510692
  C      -5.962950      4.140676      3.434580
  N      -6.533276      3.156317      4.112706
  C      -7.474786      2.428393      3.455266
  N      -7.900779      2.607400      2.219863
  C      -7.360720      3.653699      1.528858
  C      -7.815617      3.920518      0.214823
  C      -7.282320      4.974565     -0.494505
  C      -6.275483      5.793952      0.071574
  C      -5.803899      5.556576      1.345292
  C      -6.336666      4.480824      2.102235
  C      -1.034804     -0.410852      3.849175
  C      -0.519180     -0.237255      2.421185
  O      -1.542845      0.379072      1.576169
  C      -2.422562     -0.499535      0.999466
  O      -2.343289     -1.701763      1.084162
  C      -3.544085      0.224603      0.285460
  N      -4.747320     -0.243087      0.585993
  C      -5.808962      0.368559     -0.005450
  N      -5.772895      1.376963     -0.855191
  C      -4.540703      1.863418     -1.179678
  C      -4.446855      2.945185     -2.089252
  C      -3.211687      3.452007     -2.432148
  C      -2.026786      2.899345     -1.887507
  C      -2.083474      1.846681     -0.998433
  C      -3.340125      1.308730     -0.616975
  C      -4.708202     -0.151575      6.366122
  C      -5.817154      0.182384      7.354172
  O      -5.987029      1.617324      7.453251
  C      -7.208995      2.116210      7.167991
  O      -8.147888      1.460168      6.752683
  C      -7.271700      3.596429      7.468134
  N      -6.422682      4.036668      8.388199
  C      -6.447848      5.363571      8.667873
  N      -7.171819      6.290658      8.072224
  C      -8.051156      5.856484      7.123112
  C      -8.846176      6.815028      6.447478
  C      -9.763380      6.406824      5.504285
  C      -9.926874      5.031420      5.210810
  C      -9.163487      4.074627      5.845664
  C      -8.191266      4.462524      6.803898
  H      -2.867544      4.609785      7.879148
  H      -4.133361      3.601293      7.192933
  H      -3.132167      5.992825      5.584202
  H      -4.315748      6.182898      6.929717
  H      -7.911576      1.603812      4.025718
  H      -8.586943      3.274090     -0.203609
  H      -7.637254      5.183836     -1.504897
  H      -5.871984      6.625073     -0.508677
  H      -5.028610      6.188288      1.776787
  H      -2.081257     -0.743335      3.798479
  H      -0.471846     -1.238902      4.316225
  H      -0.251172     -1.204558      1.979445
  H       0.336032      0.448085      2.375175
  H      -6.792933     -0.021557      0.268094
  H      -5.371757      3.348285     -2.502194
  H      -3.140558      4.282938     -3.135643
  H      -1.059623      3.308816     -2.182034
  H      -1.166128      1.426199     -0.587877
  H      -5.003487      0.189577      5.364407
  H      -4.621255     -1.254852      6.331919
  H      -6.758425     -0.280139      7.029316
  H      -5.581624     -0.160761      8.372002
  H      -5.770316      5.693943      9.461509
  H      -8.711048      7.865153      6.708776
  H     -10.378880      7.144083      4.986252
  H     -10.670024      4.725084      4.472981
  H      -9.304024      3.018974      5.629337
  N      -3.572266      1.767034      4.003954
  N      -3.322968      2.389743      2.721919
  H      -3.288726      3.437562      2.804728
  H      -2.447519      2.034307      2.288472
  H      -4.091674      2.155743      2.076788
100
Coordinates from ORCA-job orca E -6707.583381808525
  N      -2.281240      3.524493      6.171865
  Mo     -2.496777      1.671799      5.504308
  N      -3.413804      0.445554      6.697320
  C      -2.735740     -0.120161      7.868042
  C      -1.750331      0.887371      8.438508
  N      -0.936289      1.488782      7.355945
  C      -0.463073      2.864876      7.669377
  C      -0.901271      3.820346      6.548247
  C       0.140605      0.605350      6.864529
  C       0.359529      0.904829      5.383794
  N      -0.927301      0.791850      4.685406
  H      -0.243764      3.712164      5.672023
  H      -0.796698      4.868196      6.880411
  H       0.629591      2.881475      7.810763
  H      -0.921312      3.180452      8.616525
  H       1.095628      0.203315      4.959119
  H       0.784671      1.913422      5.261184
  H      -0.193104     -0.437457      6.968427
  H       1.063367      0.732345      7.457413
  H      -3.462079     -0.371339      8.658687
  H      -2.236055     -1.067960      7.590115
  H      -2.323693      1.702803      8.898914
  H      -1.119200      0.425278      9.218723
  C      -3.300322      4.261175      6.919849
  C      -3.874811      5.483274      6.209208
  O      -5.014154      5.073824      5.382964
  C      -4.791512      4.804875      4.105550
  O      -3.734640      5.013397      3.508867
  C      -5.968595      4.142595      3.436406
  N      -6.539659      3.158995      4.115313
  C      -7.485582      2.434663      3.460984
  N      -7.913518      2.614357      2.226248
  C      -7.369324      3.656241      1.532468
  C      -7.820858      3.919538      0.216511
  C      -7.282854      4.968235     -0.496852
  C      -6.275235      5.787727      0.068255
  C      -5.806998      5.554279      1.343771
  C      -6.342966      4.482451      2.104054
  C      -1.039581     -0.408109      3.850337
  C      -0.526011     -0.234728      2.421697
  O      -1.547692      0.384381      1.578070
  C      -2.423435     -0.491002      0.991874
  O      -2.343546     -1.693886      1.070300
  C      -3.539221      0.236328      0.275810
  N      -4.746711     -0.219943      0.578537
  C      -5.801988      0.395152     -0.021943
  N      -5.756167      1.394688     -0.880911
  C      -4.519260      1.870833     -1.205025
  C      -4.414040      2.944320     -2.122457
  C      -3.173970      3.439830     -2.463876
  C      -1.994625      2.883151     -1.910174
  C      -2.063022      1.838634     -1.012734
  C      -3.325619      1.312368     -0.632902
  C      -4.707821     -0.156999      6.377793
  C      -5.816306      0.183210      7.364042
  O      -5.984145      1.619158      7.457154
  C      -7.207655      2.117071      7.176386
  O      -8.147253      1.459822      6.764676
  C      -7.270676      3.597363      7.476884
  N      -6.418615      4.038516      8.393651
  C      -6.444655      5.365648      8.673815
  N      -7.174018      6.291235      8.083310
  C      -8.056986      5.856174      7.137804
  C      -8.857877      6.813755      6.467885
  C      -9.777876      6.404367      5.527863
  C      -9.938221      5.029058      5.232312
  C      -9.169373      4.073254      5.861998
  C      -8.194516      4.462447      6.817101
  H      -2.871345      4.606191      7.878852
  H      -4.140173      3.602230      7.191329
  H      -3.130993      5.990605      5.582807
  H      -4.315323      6.185250      6.926926
  H      -7.923999      1.612017      4.032955
  H      -8.593218      3.274048     -0.201661
  H      -7.633571      5.173646     -1.509470
  H      -5.868940      6.615890     -0.514261
  H      -5.030754      6.186215      1.773369
  H      -2.085016     -0.744127      3.801386
  H      -0.473037     -1.234684      4.315700
  H      -0.261918     -1.202180      1.977989
  H       0.331848      0.447517      2.377786
  H      -6.788690      0.014686      0.255526
  H      -5.334650      3.350628     -2.541890
  H      -3.093275      4.265052     -3.173059
  H      -1.023357      3.283107     -2.204040
  H      -1.150265      1.414480     -0.595359
  H      -5.002154      0.177256      5.373512
  H      -4.621259     -1.260515      6.350894
  H      -6.758496     -0.278910      7.041583
  H      -5.580227     -0.155031      8.383439
  H      -5.763171      5.695759      9.464210
  H      -8.725267      7.863959      6.730017
  H     -10.398011      7.140469      5.013725
  H     -10.683587      4.722438      4.496831
  H      -9.307658      3.017605      5.644235
  N      -3.582100      1.755156      4.010392
  N      -3.344877      2.376823      2.726799
  H      -3.297939      3.423320      2.810386
  H      -2.478635      2.014961      2.279620
  H      -4.125461      2.155844      2.091767
100
Coordinates from ORCA-job orca E -6707.583448891875
  N      -2.288530      3.520454      6.176370
  Mo     -2.507359      1.668873      5.512667
  N      -3.419252      0.445235      6.711286
  C      -2.738831     -0.115354      7.882600
  C      -1.750286      0.893758      8.444167
  N      -0.938660      1.487311      7.355664
  C      -0.459295      2.863287      7.661470
  C      -0.906228      3.817759      6.542402
  C       0.132855      0.599280      6.861672
  C       0.349752      0.901638      5.381017
  N      -0.940057      0.794733      4.686134
  H      -0.255429      3.708391      5.661178
  H      -0.797457      4.866077      6.871603
  H       0.634748      2.878237      7.791587
  H      -0.906660      3.181579      8.612969
  H       1.081712      0.198513      4.952185
  H       0.778090      1.909090      5.260018
  H      -0.206249     -0.442036      6.963652
  H       1.056926      0.719908      7.453860
  H      -3.463037     -0.361713      8.676709
  H      -2.240819     -1.065252      7.608704
  H      -2.321395      1.713464      8.899863
  H      -1.118367      0.436058      9.226292
  C      -3.302480      4.262849      6.925527
  C      -3.876538      5.484363      6.213532
  O      -5.017593      5.074968      5.389731
  C      -4.795820      4.799556      4.113517
  O      -3.738838      5.002023      3.515361
  C      -5.974738      4.136263      3.448146
  N      -6.545339      3.154924      4.130757
  C      -7.491090      2.427723      3.479612
  N      -7.918877      2.602111      2.243961
  C      -7.374433      3.640806      1.545784
  C      -7.823721      3.896979      0.227717
  C      -7.284407      4.941134     -0.491119
  C      -6.277752      5.763991      0.071219
  C      -5.811984      5.537666      1.348963
  C      -6.349009      4.470322      2.114355
  C      -1.054102     -0.401851      3.846113
  C      -0.531353     -0.226227      2.420815
  O      -1.548245      0.396959      1.573746
  C      -2.411618     -0.474892      0.964813
  O      -2.324457     -1.678523      1.023292
  C      -3.524930      0.257101      0.250919
  N      -4.735039     -0.189848      0.559132
  C      -5.786649      0.429014     -0.044431
  N      -5.735289      1.418901     -0.913830
  C      -4.495637      1.885978     -1.241676
  C      -4.383039      2.950266     -2.168795
  C      -3.139839      3.437778     -2.509833
  C      -1.964114      2.882666     -1.946223
  C      -2.039391      1.846312     -1.040358
  C      -3.306177      1.327027     -0.662382
  C      -4.713996     -0.159043      6.396748
  C      -5.819567      0.186342      7.384829
  O      -5.986659      1.622840      7.473262
  C      -7.210491      2.120644      7.193456
  O      -8.151288      1.463000      6.785208
  C      -7.271496      3.601795      7.490466
  N      -6.418692      4.044076      8.405864
  C      -6.442914      5.371965      8.682872
  N      -7.171666      6.296978      8.090900
  C      -8.055758      5.860742      7.146878
  C      -8.856367      6.817690      6.475750
  C      -9.777065      6.407141      5.536826
  C      -9.938264      5.031395      5.243801
  C      -9.169847      4.076269      5.874979
  C      -8.194429      4.466562      6.829051
  H      -2.868390      4.609377      7.881648
  H      -4.143817      3.607633      7.201578
  H      -3.132996      5.990077      5.585419
  H      -4.315411      6.188245      6.930378
  H      -7.929857      1.607476      4.054738
  H      -8.595517      3.249320     -0.188196
  H      -7.632295      5.140061     -1.505960
  H      -5.870361      6.588973     -0.515007
  H      -5.036634      6.172585      1.775864
  H      -2.100876     -0.732694      3.790889
  H      -0.493620     -1.233124      4.310770
  H      -0.267946     -1.193298      1.976211
  H       0.327628      0.454978      2.384004
  H      -6.775259      0.057701      0.238848
  H      -5.300601      3.356206     -2.595327
  H      -3.053065      4.256298     -3.226050
  H      -0.990454      3.277360     -2.239251
  H      -1.129866      1.422525     -0.615495
  H      -5.010160      0.169973      5.391444
  H      -4.628098     -1.262715      6.376187
  H      -6.762787     -0.276428      7.066310
  H      -5.580941     -0.147315      8.405053
  H      -5.759861      5.702587      9.471709
  H      -8.723338      7.868403      6.735552
  H     -10.397012      7.142599      5.021553
  H     -10.684173      4.724002      4.509177
  H      -9.309080      3.020332      5.659193
  N      -3.598395      1.738721      4.022264
  N      -3.371178      2.358290      2.735414
  H      -3.317669      3.404429      2.815831
  H      -2.510837      1.992343      2.279577
  H      -4.158080      2.140267      2.107164
100
Coordinates from ORCA-job orca E -6707.583540285430
  N      -2.293693      3.515322      6.179746
  Mo     -2.515808      1.664376      5.520235
  N      -3.424817      0.444847      6.723947
  C      -2.743717     -0.111313      7.896548
  C      -1.751767      0.898730      8.450266
  N      -0.941071      1.484385      7.356971
  C      -0.455637      2.859933      7.655113
  C      -0.909570      3.813115      6.537463
  C       0.125026      0.590957      6.861817
  C       0.342270      0.894942      5.381780
  N      -0.949421      0.794895      4.687471
  H      -0.263568      3.702309      5.652767
  H      -0.797809      4.861996      6.863688
  H       0.639526      2.872233      7.775246
  H      -0.892380      3.181611      8.610496
  H       1.070153      0.189233      4.950587
  H       0.774604      1.900884      5.262713
  H      -0.219792     -0.448493      6.963224
  H       1.050306      0.705537      7.453532
  H      -3.466547     -0.351162      8.693915
  H      -2.249055     -1.064401      7.627596
  H      -2.320695      1.722618      8.901209
  H      -1.119640      0.444927      9.234484
  C      -3.303116      4.263602      6.928305
  C      -3.877454      5.484275      6.214442
  O      -5.021058      5.075450      5.394495
  C      -4.802322      4.795209      4.118852
  O      -3.746972      4.993910      3.517143
  C      -5.983866      4.128515      3.459952
  N      -6.548726      3.147930      4.148271
  C      -7.494743      2.415257      3.503260
  N      -7.927786      2.583844      2.268667
  C      -7.389183      3.621899      1.564765
  C      -7.842983      3.871265      0.247090
  C      -7.307442      4.912588     -0.478664
  C      -6.300631      5.739963      0.076772
  C      -5.831259      5.520618      1.354676
  C      -6.364236      4.456308      2.126440
  C      -1.065026     -0.397819      3.841928
  C      -0.534743     -0.219283      2.419899
  O      -1.547255      0.410617      1.570786
  C      -2.400018     -0.455391      0.939791
  O      -2.307189     -1.659491      0.977741
  C      -3.509234      0.284092      0.227824
  N      -4.723349     -0.147435      0.543929
  C      -5.768987      0.478855     -0.062024
  N      -5.708880      1.458777     -0.942292
  C      -4.465202      1.909802     -1.277044
  C      -4.342019      2.963753     -2.215002
  C      -3.093950      3.436489     -2.558246
  C      -1.923745      2.877927     -1.986267
  C      -2.008504      1.850680     -1.071258
  C      -3.280933      1.345277     -0.693006
  C      -4.721168     -0.159778      6.413818
  C      -5.823214      0.189433      7.405152
  O      -5.989603      1.626109      7.491059
  C      -7.213534      2.124152      7.212232
  O      -8.156173      1.466489      6.808445
  C      -7.271498      3.606548      7.503661
  N      -6.417876      4.050986      8.417114
  C      -6.438722      5.380039      8.687972
  N      -7.164498      6.304459      8.090949
  C      -8.049799      5.865812      7.149129
  C      -8.847654      6.821376      6.472781
  C      -9.769772      6.408521      5.536141
  C      -9.935201      5.031639      5.250806
  C      -9.169437      4.077882      5.887213
  C      -8.192394      4.470423      6.838604
  H      -2.865370      4.613147      7.881583
  H      -4.146341      3.612369      7.208467
  H      -3.135037      5.987921      5.583155
  H      -4.312492      6.190387      6.931360
  H      -7.928979      1.595372      4.082292
  H      -8.615097      3.220119     -0.162814
  H      -7.658024      5.105112     -1.493764
  H      -5.895559      6.562430     -0.514521
  H      -5.055930      6.159424      1.775893
  H      -2.113369     -0.722860      3.782452
  H      -0.509874     -1.234209      4.304159
  H      -0.274708     -1.186738      1.974419
  H       0.325381      0.460496      2.387599
  H      -6.761414      0.123207      0.228204
  H      -5.255128      3.373501     -2.647701
  H      -2.998743      4.247025     -3.282435
  H      -0.946494      3.263070     -2.280164
  H      -1.103816      1.423030     -0.639965
  H      -5.019886      0.166405      5.408630
  H      -4.636780     -1.263591      6.398024
  H      -6.767404     -0.273764      7.089808
  H      -5.582436     -0.141605      8.425542
  H      -5.755157      5.712537      9.475562
  H      -8.711799      7.873163      6.726726
  H     -10.387572      7.143063      5.017013
  H     -10.682221      4.722057      4.518223
  H      -9.312205      3.021182      5.677435
  N      -3.613974      1.723785      4.034457
  N      -3.397872      2.340998      2.745893
  H      -3.334382      3.386327      2.824762
  H      -2.544805      1.967726      2.281183
  H      -4.193830      2.129067      2.126224
100
Coordinates from ORCA-job orca E -6707.583644248066
  N      -2.298356      3.510845      6.181685
  Mo     -2.522122      1.659049      5.527076
  N      -3.429228      0.444154      6.736239
  C      -2.748439     -0.107088      7.911066
  C      -1.754405      0.904485      8.458012
  N      -0.944174      1.483221      7.360848
  C      -0.454440      2.858594      7.651595
  C      -0.912996      3.809208      6.533523
  C       0.117894      0.584830      6.866426
  C       0.337248      0.887255      5.386603
  N      -0.954835      0.792604      4.690511
  H      -0.269350      3.696537      5.647300
  H      -0.801002      4.859004      6.856604
  H       0.641465      2.868233      7.764732
  H      -0.883112      3.184320      8.609349
  H       1.061979      0.178040      4.956063
  H       0.773570      1.891477      5.267686
  H      -0.231159     -0.452903      6.969910
  H       1.044246      0.696123      7.457391
  H      -3.470458     -0.339987      8.711245
  H      -2.257244     -1.063468      7.647633
  H      -2.322046      1.731569      8.904722
  H      -1.121699      0.454609      9.244046
  C      -3.304481      4.264345      6.928435
  C      -3.879952      5.482740      6.210930
  O      -5.025739      5.073317      5.395429
  C      -4.810489      4.789236      4.120173
  O      -3.756608      4.984120      3.515048
  C      -5.995639      4.121240      3.467475
  N      -6.554222      3.140498      4.160388
  C      -7.502494      2.404860      3.521206
  N      -7.944197      2.572165      2.289610
  C      -7.412754      3.611863      1.582021
  C      -7.877144      3.861687      0.268312
  C      -7.346600      4.902853     -0.461632
  C      -6.334671      5.729204      0.085554
  C      -5.856186      5.509950      1.360464
  C      -6.384754      4.446839      2.136187
  C      -1.070662     -0.396152      3.839108
  C      -0.533456     -0.213890      2.420550
  O      -1.542471      0.422476      1.569652
  C      -2.384095     -0.438155      0.917204
  O      -2.284630     -1.641997      0.933945
  C      -3.490818      0.308348      0.208288
  N      -4.707884     -0.106079      0.535851
  C      -5.748891      0.528255     -0.068965
  N      -5.681626      1.500148     -0.958138
  C      -4.434787      1.932771     -1.303941
  C      -4.303264      2.978070     -2.251107
  C      -3.050874      3.433144     -2.602049
  C      -1.885041      2.866592     -2.029211
  C      -1.976807      1.846935     -1.106491
  C      -3.253802      1.359153     -0.722051
  C      -4.726507     -0.161961      6.430044
  C      -5.825758      0.188456      7.424602
  O      -5.992518      1.624953      7.509341
  C      -7.216221      2.123468      7.230658
  O      -8.160943      1.466154      6.831273
  C      -7.270648      3.607239      7.515489
  N      -6.417082      4.053632      8.427951
  C      -6.433401      5.383917      8.691468
  N      -7.153168      6.308297      8.086344
  C      -8.038352      5.867467      7.145469
  C      -8.829858      6.821968      6.460241
  C      -9.752605      6.407221      5.524983
  C      -9.925300      5.029107      5.249974
  C      -9.165537      4.076305      5.894978
  C      -8.187392      4.470621      6.844387
  H      -2.864207      4.619427      7.878417
  H      -4.148762      3.616384      7.213575
  H      -3.139052      5.983462      5.575378
  H      -4.310393      6.191873      6.927584
  H      -7.931517      1.583997      4.102703
  H      -8.653075      3.210582     -0.134478
  H      -7.705113      5.094868     -1.474032
  H      -5.932237      6.550435     -0.509202
  H      -5.077167      6.148298      1.775651
  H      -2.120614     -0.715167      3.775278
  H      -0.520699     -1.237475      4.298834
  H      -0.276366     -1.181628      1.974153
  H       0.327312      0.464945      2.391273
  H      -6.744869      0.188471      0.228266
  H      -5.212842      3.395324     -2.684278
  H      -2.949189      4.236765     -3.333038
  H      -0.904918      3.240333     -2.328444
  H      -1.076099      1.411877     -0.674200
  H      -5.028297      0.162750      5.425534
  H      -4.642151     -1.265790      6.417397
  H      -6.770287     -0.275878      7.111625
  H      -5.583209     -0.141686      8.444714
  H      -5.751696      5.718553      9.479734
  H      -8.688991      7.874890      6.706741
  H     -10.365413      7.141391      4.999462
  H     -10.672910      4.717352      4.518926
  H      -9.314133      3.018815      5.693308
  N      -3.627648      1.709107      4.046392
  N      -3.421384      2.322522      2.755801
  H      -3.350151      3.367470      2.831711
  H      -2.574880      1.940681      2.285281
  H      -4.225822      2.114172      2.145032
100
Coordinates from ORCA-job orca E -6707.583742564554
  N      -2.301083      3.508290      6.182602
  Mo     -2.527864      1.654473      5.533687
  N      -3.433493      0.445468      6.750025
  C      -2.752343     -0.101183      7.926764
  C      -1.755389      0.911305      8.466361
  N      -0.946742      1.483294      7.364523
  C      -0.452472      2.858427      7.647729
  C      -0.913868      3.805723      6.527994
  C       0.111345      0.579588      6.871286
  C       0.331422      0.876687      5.390646
  N      -0.961066      0.786541      4.694031
  H      -0.272847      3.689342      5.640411
  H      -0.801443      4.856638      6.847272
  H       0.644003      2.864810      7.755513
  H      -0.874737      3.189126      8.606667
  H       1.052590      0.162473      4.962411
  H       0.772478      1.878535      5.268669
  H      -0.241121     -0.456417      6.979506
  H       1.039386      0.689707      7.460051
  H      -3.473200     -0.326847      8.730079
  H      -2.265322     -1.060895      7.667956
  H      -2.320640      1.741293      8.910629
  H      -1.120860      0.464372      9.252646
  C      -3.303357      4.266012      6.929426
  C      -3.880733      5.481753      6.208491
  O      -5.028346      5.070474      5.397375
  C      -4.816467      4.783672      4.122048
  O      -3.764029      4.976792      3.513956
  C      -6.003905      4.114240      3.474242
  N      -6.557283      3.133228      4.170867
  C      -7.507532      2.395387      3.536329
  N      -7.956661      2.562113      2.307464
  C      -7.431500      3.603549      1.597062
  C      -7.905638      3.854525      0.287177
  C      -7.379933      4.896401     -0.445595
  C      -6.363529      5.721463      0.094494
  C      -5.876283      5.501549      1.366237
  C      -6.400351      4.438439      2.144844
  C      -1.078259     -0.397848      3.836535
  C      -0.534059     -0.211673      2.421397
  O      -1.538321      0.432085      1.568252
  C      -2.369082     -0.422439      0.894263
  O      -2.264635     -1.625672      0.890694
  C      -3.472580      0.331547      0.187130
  N      -4.692335     -0.064993      0.525619
  C      -5.728929      0.576227     -0.079122
  N      -5.654073      1.542445     -0.974417
  C      -4.404109      1.956119     -1.330599
  C      -4.264461      2.993927     -2.285301
  C      -3.007859      3.428915     -2.646970
  C      -1.846443      2.850153     -2.077889
  C      -1.945493      1.837534     -1.148057
  C      -3.226360      1.370709     -0.753556
  C      -4.731436     -0.162151      6.448368
  C      -5.828844      0.188948      7.444867
  O      -5.995128      1.625241      7.527979
  C      -7.218414      2.123927      7.248425
  O      -8.164387      1.466328      6.852506
  C      -7.271052      3.608936      7.526808
  N      -6.416518      4.058660      8.436775
  C      -6.431011      5.389960      8.693894
  N      -7.148016      6.312854      8.082578
  C      -8.033897      5.868467      7.144142
  C      -8.822703      6.820456      6.452357
  C      -9.747159      6.402330      5.520304
  C      -9.924627      5.022889      5.255055
  C      -9.167270      4.072343      5.906277
  C      -8.186966      4.470062      6.851938
  H      -2.859695      4.626720      7.875712
  H      -4.147205      3.620227      7.220893
  H      -3.141637      5.980040      5.568863
  H      -4.307277      6.193373      6.925017
  H      -7.931435      1.573136      4.119612
  H      -8.684920      3.203658     -0.109575
  H      -7.746578      5.089297     -1.454919
  H      -5.964039      6.542215     -0.502892
  H      -5.094071      6.139195      1.776531
  H      -2.130029     -0.709686      3.767114
  H      -0.534857     -1.244476      4.294371
  H      -0.279824     -1.179129      1.972760
  H       0.328828      0.464446      2.395932
  H      -6.728292      0.251916      0.224039
  H      -5.170589      3.421587     -2.715630
  H      -2.900031      4.226301     -3.383875
  H      -0.863530      3.209846     -2.385257
  H      -1.048602      1.392294     -0.717825
  H      -5.036229      0.161449      5.444461
  H      -4.646295     -1.265952      6.437705
  H      -6.773773     -0.276060      7.133868
  H      -5.585158     -0.141032      8.464726
  H      -5.749925      5.728235      9.481118
  H      -8.678477      7.874542      6.691956
  H     -10.357751      7.135062      4.990215
  H     -10.673699      4.707836      4.526943
  H      -9.319434      3.013902      5.712187
  N      -3.641381      1.697779      4.058808
  N      -3.443232      2.306888      2.765511
  H      -3.362989      3.351310      2.839129
  H      -2.603669      1.915072      2.289979
  H      -4.256737      2.102582      2.165208
100
Coordinates from ORCA-job orca E -6707.583793678175
  N      -2.305680      3.504487      6.183275
  Mo     -2.532552      1.646714      5.541639
  N      -3.435748      0.443243      6.766021
  C      -2.753510     -0.097387      7.945137
  C      -1.754793      0.917074      8.477319
  N      -0.949146      1.483668      7.370509
  C      -0.452974      2.859679      7.645946
  C      -0.916676      3.801992      6.522703
  C       0.106946      0.576180      6.879386
  C       0.326216      0.864359      5.396839
  N      -0.966306      0.775164      4.700799
  H      -0.278166      3.680636      5.634126
  H      -0.804746      4.854425      6.837180
  H       0.643827      2.864685      7.750753
  H      -0.872115      3.195768      8.604380
  H       1.045036      0.145029      4.973061
  H       0.771069      1.863913      5.268680
  H      -0.246299     -0.458747      6.994570
  H       1.036755      0.688845      7.464981
  H      -3.473336     -0.316947      8.751085
  H      -2.268986     -1.059455      7.690662
  H      -2.318014      1.749025      8.920360
  H      -1.117359      0.473105      9.262986
  C      -3.305219      4.263889      6.931710
  C      -3.888386      5.474547      6.206641
  O      -5.040606      5.058457      5.404920
  C      -4.836867      4.762360      4.130135
  O      -3.786135      4.945110      3.515748
  C      -6.031832      4.097926      3.491613
  N      -6.585085      3.120998      4.194167
  C      -7.543197      2.386525      3.567059
  N      -8.001249      2.554403      2.341787
  C      -7.476931      3.592993      1.626139
  C      -7.961817      3.846333      0.320722
  C      -7.436195      4.884905     -0.417038
  C      -6.409641      5.703345      0.113036
  C      -5.912191      5.481458      1.380548
  C      -6.436167      4.422008      2.164479
  C      -1.083172     -0.402013      3.833702
  C      -0.531225     -0.206591      2.422940
  O      -1.530249      0.445216      1.568397
  C      -2.348101     -0.402717      0.870498
  O      -2.237747     -1.604757      0.845397
  C      -3.449000      0.358626      0.165845
  N      -4.670653     -0.022155      0.513703
  C      -5.704000      0.626436     -0.089225
  N      -5.622610      1.590297     -0.986899
  C      -4.369982      1.987625     -1.351628
  C      -4.223272      3.021666     -2.309368
  C      -2.963131      3.437346     -2.682537
  C      -1.805742      2.842704     -2.122153
  C      -1.911935      1.834223     -1.188344
  C      -3.195446      1.388323     -0.782272
  C      -4.733334     -0.167151      6.469075
  C      -5.830763      0.186993      7.464188
  O      -5.993702      1.623632      7.543027
  C      -7.213688      2.125402      7.255371
  O      -8.159648      1.469570      6.856356
  C      -7.262490      3.611940      7.526051
  N      -6.410856      4.063005      8.438236
  C      -6.421476      5.395481      8.688564
  N      -7.130702      6.318225      8.067792
  C      -8.012697      5.872654      7.126432
  C      -8.792444      6.824330      6.424016
  C      -9.713382      6.405454      5.488932
  C      -9.896422      5.025410      5.230797
  C      -9.147701      4.074921      5.892127
  C      -8.171002      4.473199      6.841281
  H      -2.857131      4.632167      7.873091
  H      -4.145476      3.617763      7.232460
  H      -3.153438      5.969729      5.559925
  H      -4.310405      6.189678      6.922435
  H      -7.965591      1.566207      4.154165
  H      -8.748744      3.199940     -0.068243
  H      -7.811800      5.079951     -1.422664
  H      -6.010122      6.520921     -0.488696
  H      -5.122296      6.114064      1.783781
  H      -2.136087     -0.707991      3.755495
  H      -0.546071     -1.254350      4.288240
  H      -0.276955     -1.171110      1.967913
  H       0.333815      0.467003      2.405280
  H      -6.705894      0.313583      0.217666
  H      -5.126317      3.461648     -2.733688
  H      -2.850055      4.231150     -3.422497
  H      -0.820485      3.187536     -2.438943
  H      -1.018602      1.376185     -0.763498
  H      -5.039707      0.153552      5.464602
  H      -4.646428     -1.270876      6.461362
  H      -6.776297     -0.277288      7.154017
  H      -5.588518     -0.141983      8.484812
  H      -5.744981      5.735713      9.478886
  H      -8.644043      7.878994      6.658560
  H     -10.316807      7.138357      4.950917
  H     -10.642656      4.709493      4.500172
  H      -9.303663      3.016113      5.703035
  N      -3.653578      1.683803      4.072637
  N      -3.463339      2.291990      2.776453
  H      -3.375967      3.335778      2.849782
  H      -2.629255      1.892501      2.297304
  H      -4.284231      2.090981      2.185690
100
Coordinates from ORCA-job orca E -6707.583777156337
  N      -2.304805      3.507091      6.160236
  Mo     -2.533393      1.636216      5.543276
  N      -3.433848      0.448616      6.787702
  C      -2.747649     -0.079506      7.970969
  C      -1.747839      0.939887      8.489915
  N      -0.948578      1.496805      7.373797
  C      -0.453197      2.876013      7.633181
  C      -0.913349      3.802935      6.495567
  C       0.107241      0.583226      6.891671
  C       0.321623      0.841954      5.402813
  N      -0.970645      0.743726      4.710806
  H      -0.275220      3.665638      5.609426
  H      -0.802288      4.859607      6.796093
  H       0.643285      2.880677      7.742158
  H      -0.876830      3.225912      8.584570
  H       1.038675      0.111869      4.993986
  H       0.770506      1.837026      5.252904
  H      -0.242632     -0.450138      7.028411
  H       1.040592      0.709643      7.468743
  H      -3.465508     -0.290174      8.781043
  H      -2.264990     -1.044128      7.723190
  H      -2.307920      1.774455      8.931707
  H      -1.104392      0.501343      9.273820
  C      -3.302243      4.273608      6.904565
  C      -3.877323      5.482859      6.170728
  O      -5.025128      5.069072      5.362082
  C      -4.815875      4.776630      4.087162
  O      -3.759236      4.954347      3.480607
  C      -6.011286      4.127258      3.437311
  N      -6.579908      3.153256      4.131763
  C      -7.543288      2.434169      3.494835
  N      -7.994516      2.616339      2.269305
  C      -7.454764      3.653370      1.562341
  C      -7.934491      3.923561      0.258413
  C      -7.393470      4.961707     -0.469142
  C      -6.356860      5.761162      0.068889
  C      -5.864275      5.523198      1.335209
  C      -6.404411      4.464296      2.109859
  C      -1.087896     -0.428016      3.838082
  C      -0.531535     -0.225302      2.430510
  O      -1.525806      0.432695      1.574936
  C      -2.334537     -0.411442      0.861420
  O      -2.221532     -1.611866      0.823944
  C      -3.435223      0.353236      0.157282
  N      -4.656804     -0.013101      0.516366
  C      -5.690421      0.640010     -0.082865
  N      -5.605861      1.605869     -0.978675
  C      -4.352018      1.988163     -1.354390
  C      -4.202130      3.021455     -2.311724
  C      -2.940347      3.413852     -2.706338
  C      -1.785787      2.794871     -2.167931
  C      -1.895800      1.789028     -1.230708
  C      -3.179100      1.370682     -0.801227
  C      -4.729157     -0.170449      6.502119
  C      -5.823880      0.179044      7.501255
  O      -5.995425      1.614619      7.575484
  C      -7.221971      2.107400      7.300857
  O      -8.170309      1.441831      6.923701
  C      -7.278294      3.594652      7.566113
  N      -6.404155      4.057789      8.450949
  C      -6.419358      5.391215      8.695235
  N      -7.154237      6.304492      8.090655
  C      -8.058704      5.846931      7.177173
  C      -8.865429      6.788801      6.492140
  C      -9.809692      6.358090      5.586480
  C      -9.990110      4.975421      5.341343
  C      -9.215306      4.033936      5.985509
  C      -8.214253      4.444496      6.903642
  H      -2.853450      4.647940      7.843490
  H      -4.142840      3.631149      7.211428
  H      -3.135640      5.972793      5.527995
  H      -4.301440      6.201536      6.881975
  H      -7.977629      1.615665      4.075708
  H      -8.729046      3.290721     -0.137291
  H      -7.766539      5.171120     -1.472879
  H      -5.945505      6.577867     -0.526115
  H      -5.066342      6.140463      1.746001
  H      -2.141690     -0.728989      3.751396
  H      -0.556458     -1.283956      4.291993
  H      -0.276083     -1.186283      1.968199
  H       0.337311      0.443705      2.418370
  H      -6.693572      0.330946      0.223375
  H      -5.103440      3.478331     -2.721364
  H      -2.825269      4.205637     -3.448097
  H      -0.799994      3.119392     -2.503852
  H      -1.005045      1.311872     -0.820582
  H      -5.044144      0.146497      5.498647
  H      -4.632976     -1.273494      6.494042
  H      -6.768445     -0.292688      7.200033
  H      -5.573284     -0.146838      8.521185
  H      -5.724929      5.742565      9.464830
  H      -8.717502      7.845583      6.717378
  H     -10.433591      7.083902      5.062343
  H     -10.754952      4.649744      4.634676
  H      -9.368376      2.973033      5.806604
  N      -3.664879      1.664509      4.083163
  N      -3.483020      2.268174      2.779273
  H      -3.393883      3.312348      2.848640
  H      -2.651316      1.858869      2.305220
  H      -4.308488      2.065170      2.197782
100
Coordinates from ORCA-job orca E -6707.583905618312
  N      -2.308836      3.496333      6.162126
  Mo     -2.540835      1.627794      5.546631
  N      -3.441598      0.444576      6.793779
  C      -2.756600     -0.078544      7.979438
  C      -1.752625      0.940900      8.491057
  N      -0.952252      1.487797      7.370928
  C      -0.448993      2.866079      7.622040
  C      -0.915527      3.792642      6.486297
  C       0.098360      0.568619      6.888904
  C       0.313566      0.830973      5.400381
  N      -0.980760      0.739715      4.710078
  H      -0.285048      3.653555      5.594744
  H      -0.797484      4.849243      6.784173
  H       0.648445      2.868178      7.720422
  H      -0.862164      3.219470      8.576817
  H       1.026457      0.098907      4.988154
  H       0.766909      1.824524      5.253695
  H      -0.258369     -0.463008      7.021510
  H       1.031287      0.687228      7.468227
  H      -3.474594     -0.283200      8.790909
  H      -2.275752     -1.045758      7.737805
  H      -2.309808      1.781242      8.925682
  H      -1.111636      0.506102      9.279019
  C      -3.297621      4.262428      6.918675
  C      -3.884315      5.473167      6.196673
  O      -5.042697      5.058047      5.403647
  C      -4.850757      4.777505      4.123611
  O      -3.807333      4.974587      3.500816
  C      -6.042451      4.103508      3.491988
  N      -6.574083      3.110827      4.189567
  C      -7.530338      2.371719      3.565535
  N      -8.006100      2.548582      2.348399
  C      -7.502785      3.600841      1.637627
  C      -8.005848      3.861610      0.340606
  C      -7.500145      4.913179     -0.392650
  C      -6.477019      5.737885      0.133888
  C      -5.962554      5.509938      1.393234
  C      -6.465316      4.436638      2.172730
  C      -1.098923     -0.427655      3.831434
  C      -0.531292     -0.222732      2.427895
  O      -1.518591      0.440724      1.568402
  C      -2.314729     -0.395811      0.832037
  O      -2.197468     -1.595836      0.775244
  C      -3.406976      0.380209      0.129752
  N      -4.633512      0.030852      0.491632
  C      -5.657351      0.696722     -0.111047
  N      -5.560092      1.652853     -1.014982
  C      -4.300814      2.018439     -1.391462
  C      -4.135631      3.043002     -2.355578
  C      -2.867983      3.422294     -2.744451
  C      -1.721239      2.799043     -2.193205
  C      -1.847731      1.800996     -1.250827
  C      -3.137314      1.393314     -0.828513
  C      -4.739091     -0.171303      6.510036
  C      -5.834069      0.193543      7.503628
  O      -5.996757      1.631005      7.567740
  C      -7.218220      2.130155      7.281810
  O      -8.165274      1.470194      6.892027
  C      -7.267238      3.618751      7.542088
  N      -6.404260      4.078054      8.439660
  C      -6.415868      5.412023      8.682429
  N      -7.137351      6.328405      8.067055
  C      -8.030910      5.874829      7.140749
  C      -8.824102      6.820362      6.445052
  C      -9.757095      6.393507      5.525847
  C      -9.939235      5.011606      5.277651
  C      -9.177665      4.066812      5.932509
  C      -8.188489      4.473207      6.865227
  H      -2.837034      4.633357      7.853217
  H      -4.134515      3.619155      7.233626
  H      -3.152612      5.967642      5.545902
  H      -4.302074      6.188497      6.914931
  H      -7.934243      1.539337      4.148647
  H      -8.789387      3.210127     -0.046808
  H      -7.889257      5.113718     -1.392038
  H      -6.094054      6.565835     -0.464485
  H      -5.174551      6.146387      1.793938
  H      -2.153400     -0.723593      3.736783
  H      -0.574308     -1.288318      4.284762
  H      -0.276401     -1.182810      1.963793
  H       0.339335      0.444044      2.426065
  H      -6.663585      0.407459      0.204545
  H      -5.030556      3.504948     -2.773650
  H      -2.740959      4.208333     -3.490381
  H      -0.730286      3.113423     -2.523375
  H      -0.963513      1.320145     -0.830879
  H      -5.049325      0.137331      5.502675
  H      -4.649160     -1.274847      6.513246
  H      -6.780908     -0.273802      7.202582
  H      -5.588325     -0.124916      8.526958
  H      -5.729273      5.759371      9.460883
  H      -8.675666      7.876630      6.672178
  H     -10.370721      7.121643      4.992896
  H     -10.695053      4.689633      4.559641
  H      -9.332213      3.006566      5.750760
  N      -3.672547      1.643031      4.086376
  N      -3.493149      2.244211      2.779700
  H      -3.395342      3.287497      2.846670
  H      -2.666706      1.834662      2.295859
  H      -4.323490      2.043122      2.202797
100
Coordinates from ORCA-job orca E -6707.582941451359
  N      -2.280157      3.491622      6.177799
  Mo     -2.548424      1.636702      5.550718
  N      -3.463943      0.458806      6.789834
  C      -2.782451     -0.083111      7.968214
  C      -1.756902      0.915231      8.480613
  N      -0.950666      1.452616      7.359972
  C      -0.420082      2.820371      7.616169
  C      -0.881180      3.765074      6.492922
  C       0.079994      0.519145      6.863762
  C       0.291933      0.798539      5.377736
  N      -1.009833      0.739242      4.695754
  H      -0.262443      3.622561      5.593258
  H      -0.736077      4.816542      6.796509
  H       0.678176      2.805048      7.701963
  H      -0.816610      3.172355      8.578603
  H       0.987813      0.059525      4.949604
  H       0.762768      1.785595      5.243415
  H      -0.297531     -0.506936      6.981397
  H       1.015693      0.609985      7.443405
  H      -3.500309     -0.282843      8.780930
  H      -2.316359     -1.055996      7.719542
  H      -2.297041      1.765179      8.918466
  H      -1.123685      0.465873      9.266585
  C      -3.253231      4.274099      6.936731
  C      -3.842616      5.474492      6.200708
  O      -5.013470      5.045208      5.432094
  C      -4.831340      4.711539      4.162945
  O      -3.789372      4.870311      3.527922
  C      -6.019795      3.993503      3.573081
  N      -6.524255      3.018141      4.313866
  C      -7.470491      2.235054      3.730309
  N      -7.957188      2.349585      2.510078
  C      -7.479607      3.379543      1.751852
  C      -7.990277      3.568673      0.445399
  C      -7.513009      4.597056     -0.337220
  C      -6.513712      5.474160      0.150976
  C      -5.992236      5.316245      1.417980
  C      -6.461314      4.263937      2.245249
  C      -1.149318     -0.414068      3.802112
  C      -0.578085     -0.202130      2.399873
  O      -1.554804      0.488957      1.551466
  C      -2.362302     -0.320288      0.797511
  O      -2.263588     -1.522139      0.717158
  C      -3.435080      0.492945      0.110892
  N      -4.671198      0.171932      0.472111
  C      -5.675028      0.878001     -0.119319
  N      -5.554196      1.835326     -1.017747
  C      -4.285255      2.173039     -1.392408
  C      -4.091528      3.201608     -2.346583
  C      -2.813755      3.559403     -2.721340
  C      -1.682400      2.911198     -2.164716
  C      -1.838333      1.907696     -1.234200
  C      -3.140560      1.516677     -0.828607
  C      -4.772324     -0.134104      6.503724
  C      -5.864196      0.250077      7.493540
  O      -6.011732      1.689710      7.550440
  C      -7.228989      2.193229      7.254414
  O      -8.172642      1.536338      6.851883
  C      -7.275377      3.682990      7.507033
  N      -6.428508      4.145660      8.417610
  C      -6.443639      5.481381      8.653257
  N      -7.155329      6.394711      8.022590
  C      -8.033713      5.936794      7.083496
  C      -8.817114      6.878687      6.371948
  C      -9.732919      6.446190      5.437735
  C      -9.906775      5.062907      5.190572
  C      -9.155022      4.122000      5.861828
  C      -8.183845      4.534477      6.810737
  H      -2.780218      4.652186      7.861997
  H      -4.092206      3.640863      7.266217
  H      -3.117568      5.951464      5.529510
  H      -4.250494      6.206701      6.907367
  H      -7.854393      1.421244      4.351746
  H      -8.757619      2.881266      0.088652
  H      -7.904889      4.740266     -1.345248
  H      -6.156077      6.286383     -0.483461
  H      -5.224458      5.995279      1.787242
  H      -2.208237     -0.692848      3.706592
  H      -0.637272     -1.289323      4.242449
  H      -0.340361     -1.160491      1.923796
  H       0.302764      0.450968      2.409898
  H      -6.686318      0.618720      0.207405
  H      -4.974172      3.685764     -2.766073
  H      -2.664450      4.350608     -3.457657
  H      -0.682272      3.209327     -2.481673
  H      -0.966594      1.408241     -0.810373
  H      -5.074351      0.175717      5.494647
  H      -4.702015     -1.238911      6.511445
  H      -6.815568     -0.206454      7.189820
  H      -5.626064     -0.063723      8.519798
  H      -5.765139      5.830615      9.438008
  H      -8.675799      7.936296      6.597055
  H     -10.339238      7.170436      4.891331
  H     -10.648817      4.737756      4.459666
  H      -9.303567      3.060745      5.680632
  N      -3.682417      1.674848      4.093944
  N      -3.500057      2.289148      2.794235
  H      -3.385126      3.327992      2.870360
  H      -2.681779      1.881306      2.294381
  H      -4.334215      2.104945      2.214956
100
Coordinates from ORCA-job orca E -6707.583978954834
  N      -2.324045      3.487834      6.155456
  Mo     -2.552112      1.618497      5.548994
  N      -3.448008      0.438291      6.801233
  C      -2.758970     -0.078801      7.986606
  C      -1.755940      0.945225      8.491862
  N      -0.958402      1.488568      7.368184
  C      -0.457918      2.869288      7.612347
  C      -0.931725      3.790789      6.475569
  C       0.093140      0.570588      6.886697
  C       0.304900      0.833006      5.397935
  N      -0.991841      0.738676      4.710946
  H      -0.304642      3.649664      5.581661
  H      -0.811271      4.848647      6.767639
  H       0.639861      2.876561      7.705292
  H      -0.867749      3.224223      8.568052
  H       1.017333      0.101619      4.983958
  H       0.756966      1.827069      5.250897
  H      -0.262827     -0.461406      7.018299
  H       1.025559      0.689535      7.466647
  H      -3.474834     -0.283288      8.799935
  H      -2.274530     -1.045247      7.748403
  H      -2.314572      1.787317      8.921500
  H      -1.114515      0.516222      9.282560
  C      -3.315520      4.259893      6.902024
  C      -3.905722      5.457822      6.162854
  O      -5.063042      5.025238      5.376522
  C      -4.869370      4.707132      4.105421
  O      -3.826415      4.884435      3.476724
  C      -6.075351      4.049500      3.481901
  N      -6.619954      3.067837      4.185023
  C      -7.592572      2.343371      3.569380
  N      -8.074803      2.527130      2.355732
  C      -7.557432      3.568264      1.639359
  C      -8.064226      3.835186      0.345104
  C      -7.543020      4.873199     -0.396116
  C      -6.500639      5.680273      0.121196
  C      -5.982983      5.446336      1.378049
  C      -6.500808      4.386175      2.164650
  C      -1.103889     -0.425511      3.828132
  C      -0.528184     -0.215831      2.428083
  O      -1.511233      0.450625      1.567131
  C      -2.297282     -0.379839      0.814034
  O      -2.174203     -1.579266      0.743263
  C      -3.382249      0.405037      0.113284
  N      -4.613155      0.064166      0.471956
  C      -5.628437      0.742691     -0.131892
  N      -5.521802      1.694669     -1.038010
  C      -4.258467      2.053134     -1.409542
  C      -4.081595      3.076766     -2.372258
  C      -2.809766      3.453556     -2.748245
  C      -1.668703      2.829596     -2.184646
  C      -1.807270      1.831606     -1.244783
  C      -3.102834      1.423047     -0.837205
  C      -4.748897     -0.174896      6.525801
  C      -5.834632      0.199953      7.526370
  O      -5.990127      1.638720      7.588131
  C      -7.211840      2.143086      7.312228
  O      -8.165755      1.486824      6.933254
  C      -7.249655      3.632910      7.567813
  N      -6.382761      4.089064      8.462869
  C      -6.384467      5.424094      8.701049
  N      -7.101312      6.343332      8.084953
  C      -7.999299      5.893066      7.161061
  C      -8.787468      6.842118      6.464419
  C      -9.722369      6.418785      5.545302
  C      -9.910970      5.037499      5.298522
  C      -9.155203      4.089570      5.955360
  C      -8.164803      4.492006      6.888586
  H      -2.856545      4.642507      7.832491
  H      -4.152244      3.618716      7.222316
  H      -3.175298      5.944479      5.504696
  H      -4.327191      6.183404      6.868451
  H      -8.007765      1.519870      4.157180
  H      -8.863145      3.198409     -0.035492
  H      -7.932067      5.076181     -1.394925
  H      -6.105653      6.498689     -0.482396
  H      -5.179994      6.069181      1.770732
  H      -2.157131     -0.723869      3.728685
  H      -0.578889     -1.286890      4.280202
  H      -0.270466     -1.174118      1.962060
  H       0.341308      0.452353      2.435833
  H      -6.636624      0.465097      0.188273
  H      -4.971726      3.541007     -2.798331
  H      -2.673541      4.240209     -3.491921
  H      -0.673724      3.142361     -2.503750
  H      -0.927716      1.350266     -0.815842
  H      -5.063331      0.128794      5.518546
  H      -4.664318     -1.278736      6.535644
  H      -6.785931     -0.263442      7.233116
  H      -5.582733     -0.114038      8.549375
  H      -5.691389      5.767967      9.475324
  H      -8.633666      7.898068      6.689262
  H     -10.332088      7.149001      5.010741
  H     -10.667747      4.719070      4.579885
  H      -9.314951      3.029926      5.774374
  N      -3.685443      1.620585      4.090075
  N      -3.512550      2.225648      2.784389
  H      -3.425613      3.268466      2.850861
  H      -2.681438      1.829316      2.297003
  H      -4.339532      2.015486      2.204435
100
Coordinates from ORCA-job orca E -6707.583687148110
  N      -2.296581      3.496721      6.141595
  Mo     -2.545213      1.618862      5.547568
  N      -3.444708      0.455599      6.816725
  C      -2.751028     -0.061308      8.001029
  C      -1.736593      0.955959      8.495676
  N      -0.944585      1.488642      7.362792
  C      -0.430958      2.865708      7.596021
  C      -0.896680      3.781293      6.451510
  C       0.096068      0.556886      6.882339
  C       0.299389      0.791796      5.388298
  N      -0.999674      0.703217      4.708778
  H      -0.274708      3.623611      5.557332
  H      -0.768631      4.840479      6.736048
  H       0.666889      2.860659      7.690468
  H      -0.839159      3.233912      8.547231
  H       1.001688      0.044039      4.985492
  H       0.764056      1.776984      5.220118
  H      -0.264628     -0.470420      7.035113
  H       1.036268      0.680058      7.448738
  H      -3.462842     -0.255863      8.820316
  H      -2.277696     -1.032635      7.761445
  H      -2.283134      1.802195      8.932210
  H      -1.088922      0.521540      9.278454
  C      -3.271139      4.269195      6.911193
  C      -3.858284      5.484910      6.197769
  O      -5.025273      5.078669      5.413089
  C      -4.845171      4.815220      4.128053
  O      -3.801768      5.010799      3.504112
  C      -6.026662      4.114698      3.508025
  N      -6.549257      3.131302      4.225354
  C      -7.503544      2.375578      3.617822
  N      -7.988725      2.531533      2.401801
  C      -7.494455      3.574339      1.670607
  C      -8.009275      3.813738      0.374089
  C      -7.508712      4.852707     -0.380799
  C      -6.479727      5.684249      0.122227
  C      -5.955545      5.478575      1.381264
  C      -6.454490      4.420535      2.184018
  C      -1.128436     -0.455787      3.822406
  C      -0.557323     -0.246461      2.421269
  O      -1.532985      0.437796      1.565426
  C      -2.328371     -0.379588      0.807121
  O      -2.219907     -1.578196      0.728348
  C      -3.407950      0.420351      0.110783
  N      -4.639410      0.102380      0.482072
  C      -5.652268      0.796398     -0.108977
  N      -5.537264      1.758835     -1.003949
  C      -4.272168      2.092163     -1.390045
  C      -4.089345      3.121689     -2.344764
  C      -2.816220      3.465429     -2.748811
  C      -1.681874      2.800665     -2.221517
  C      -1.824753      1.798130     -1.285182
  C      -3.120171      1.427827     -0.847693
  C      -4.743605     -0.163265      6.547837
  C      -5.835007      0.204446      7.543872
  O      -6.005427      1.641254      7.594307
  C      -7.230630      2.128905      7.304769
  O      -8.174759      1.457016      6.928368
  C      -7.292362      3.619004      7.552139
  N      -6.438772      4.092020      8.451786
  C      -6.462039      5.427776      8.683412
  N      -7.186390      6.333565      8.055704
  C      -8.068808      5.866084      7.125804
  C      -8.861867      6.800301      6.414825
  C      -9.782392      6.359620      5.489752
  C      -9.951935      4.974603      5.250245
  C      -9.190550      4.040325      5.920338
  C      -8.214060      4.461039      6.860136
  H      -2.796602      4.638234      7.839576
  H      -4.105988      3.629877      7.238939
  H      -3.129679      5.976734      5.541689
  H      -4.265426      6.200254      6.922205
  H      -7.897292      1.549271      4.216460
  H      -8.796649      3.156505      0.004258
  H      -7.906811      5.036952     -1.379802
  H      -6.099683      6.499715     -0.494904
  H      -5.160936      6.117499      1.764581
  H      -2.186246     -0.737935      3.722961
  H      -0.614767     -1.325133      4.271438
  H      -0.312850     -1.204893      1.947599
  H       0.323983      0.406284      2.425676
  H      -6.663619      0.525654      0.207100
  H      -4.975148      3.615891     -2.744865
  H      -2.676271      4.254886     -3.488771
  H      -0.687008      3.087199     -2.564746
  H      -0.949759      1.286265     -0.881800
  H      -5.061394      0.138434      5.540426
  H      -4.650077     -1.266578      6.555533
  H      -6.781179     -0.270376      7.252974
  H      -5.582534     -0.104784      8.568575
  H      -5.785083      5.787339      9.464703
  H      -8.722335      7.859194      6.635388
  H     -10.395592      7.079297      4.944929
  H     -10.697693      4.641564      4.526800
  H      -9.334616      2.977566      5.744634
  N      -3.694179      1.636737      4.102023
  N      -3.526070      2.235615      2.790876
  H      -3.437628      3.280453      2.854761
  H      -2.698790      1.825271      2.311536
  H      -4.357386      2.027914      2.220355
100
Coordinates from ORCA-job orca E -6707.584193264577
  N      -2.300729      3.484830      6.136964
  Mo     -2.549367      1.609096      5.548424
  N      -3.453911      0.450640      6.816387
  C      -2.764333     -0.063616      8.003365
  C      -1.748830      0.953858      8.496576
  N      -0.951974      1.480629      7.364361
  C      -0.436620      2.858139      7.593653
  C      -0.902421      3.772072      6.447561
  C       0.088290      0.546787      6.887817
  C       0.296732      0.785158      5.394859
  N      -1.002415      0.700037      4.712606
  H      -0.281014      3.612009      5.553070
  H      -0.769708      4.831696      6.727947
  H       0.661290      2.853967      7.685878
  H      -0.842374      3.228144      8.545327
  H       0.997551      0.036889      4.990884
  H       0.763871      1.769901      5.231305
  H      -0.276431     -0.479839      7.035721
  H       1.025543      0.665176      7.460042
  H      -3.478670     -0.254784      8.821217
  H      -2.290775     -1.036426      7.769642
  H      -2.295764      1.803928      8.925384
  H      -1.106290      0.522673      9.285249
  C      -3.277747      4.266198      6.893169
  C      -3.868662      5.466128      6.157175
  O      -5.040754      5.041516      5.388696
  C      -4.869940      4.733994      4.111666
  O      -3.834928      4.910732      3.469270
  C      -6.075439      4.055062      3.511638
  N      -6.596554      3.074166      4.233268
  C      -7.571209      2.333050      3.640768
  N      -8.077644      2.501092      2.435058
  C      -7.584417      3.541096      1.699942
  C      -8.119713      3.792016      0.414036
  C      -7.622822      4.828578     -0.345938
  C      -6.578172      5.649411      0.143444
  C      -6.034029      5.432446      1.392131
  C      -6.526122      4.373928      2.198028
  C      -1.126365     -0.455828      3.821367
  C      -0.541047     -0.244822      2.425630
  O      -1.508009      0.443885      1.563609
  C      -2.290907     -0.366431      0.785426
  O      -2.178841     -1.564887      0.693454
  C      -3.358884      0.443783      0.085729
  N      -4.596485      0.137346      0.450297
  C      -5.596824      0.842655     -0.148620
  N      -5.467229      1.798349     -1.047880
  C      -4.196078      2.121301     -1.425241
  C      -3.995918      3.145584     -2.382350
  C      -2.716260      3.482176     -2.770537
  C      -1.590807      2.815918     -2.224903
  C      -1.751609      1.817426     -1.288479
  C      -3.054993      1.451567     -0.867941
  C      -4.757534     -0.159928      6.548696
  C      -5.842397      0.220035      7.547865
  O      -6.000757      1.658558      7.598183
  C      -7.225466      2.155290      7.322070
  O      -8.178731      1.490943      6.955662
  C      -7.269923      3.647242      7.561515
  N      -6.399374      4.118768      8.445122
  C      -6.407660      5.456476      8.667485
  N      -7.133722      6.364128      8.044648
  C      -8.034763      5.897643      7.131931
  C      -8.832054      6.833364      6.427686
  C      -9.770714      6.393281      5.520383
  C      -9.954613      5.007900      5.293544
  C      -9.189935      4.072496      5.958029
  C      -8.194924      4.492373      6.878517
  H      -2.804950      4.650421      7.816141
  H      -4.113130      3.630964      7.228078
  H      -3.143651      5.944224      5.486943
  H      -4.273583      6.197177      6.866845
  H      -7.965699      1.510103      4.243372
  H      -8.920554      3.144980      0.055234
  H      -8.034848      5.020129     -1.337799
  H      -6.202920      6.465776     -0.475363
  H      -5.230250      6.066496      1.764524
  H      -2.183735     -0.736376      3.713712
  H      -0.617172     -1.327943      4.270793
  H      -0.295386     -1.203124      1.952781
  H       0.340408      0.407473      2.441746
  H      -6.611728      0.585803      0.168278
  H      -4.874460      3.642131     -2.795757
  H      -2.562621      4.268585     -3.511052
  H      -0.589889      3.097101     -2.554615
  H      -0.883985      1.303871     -0.872047
  H      -5.074044      0.140038      5.540767
  H      -4.673813     -1.263868      6.562060
  H      -6.793462     -0.246940      7.259818
  H      -5.589106     -0.087492      8.572593
  H      -5.713462      5.814336      9.434353
  H      -8.681630      7.892807      6.638017
  H     -10.387436      7.113513      4.980323
  H     -10.714802      4.676036      4.584668
  H      -9.346071      3.009690      5.793233
  N      -3.692309      1.617617      4.098006
  N      -3.520563      2.217460      2.788931
  H      -3.427208      3.260110      2.853114
  H      -2.693216      1.811193      2.305069
  H      -4.351167      2.009948      2.214558
100
Coordinates from ORCA-job orca E -6707.584183343591
  N      -2.344394      3.475318      6.142638
  Mo     -2.578150      1.596567      5.558653
  N      -3.468351      0.433855      6.832769
  C      -2.769469     -0.073406      8.017099
  C      -1.759773      0.952926      8.503966
  N      -0.972565      1.484815      7.367500
  C      -0.468713      2.867165      7.592937
  C      -0.947672      3.775392      6.447837
  C       0.073773      0.559405      6.887523
  C       0.274438      0.797697      5.393224
  N      -1.027132      0.702961      4.716215
  H      -0.329117      3.618859      5.550676
  H      -0.821562      4.836540      6.725482
  H       0.629592      2.873594      7.680118
  H      -0.873634      3.234435      8.546046
  H       0.978238      0.053191      4.987500
  H       0.735087      1.785104      5.226741
  H      -0.282078     -0.470097      7.037067
  H       1.011935      0.685662      7.456495
  H      -3.478479     -0.269185      8.838472
  H      -2.288838     -1.042651      7.782810
  H      -2.311530      1.799393      8.933792
  H      -1.110523      0.528178      9.290618
  C      -3.327157      4.251401      6.897569
  C      -3.927349      5.444018      6.157388
  O      -5.091608      5.004378      5.385278
  C      -4.911717      4.695099      4.110098
  O      -3.878301      4.887452      3.469629
  C      -6.107730      4.002446      3.506948
  N      -6.621436      3.018750      4.229973
  C      -7.585365      2.264824      3.636475
  N      -8.087995      2.422435      2.427762
  C      -7.601980      3.464110      1.690394
  C      -8.133003      3.703084      0.400429
  C      -7.642981      4.740739     -0.362450
  C      -6.610211      5.575576      0.128818
  C      -6.070755      5.370642      1.381503
  C      -6.555422      4.310917      2.190009
  C      -1.141420     -0.446078      3.814978
  C      -0.549749     -0.221779      2.423582
  O      -1.514472      0.470317      1.561867
  C      -2.279149     -0.333587      0.759188
  O      -2.154604     -1.529094      0.645625
  C      -3.344484      0.482236      0.062453
  N      -4.583883      0.176087      0.422004
  C      -5.581067      0.886564     -0.176980
  N      -5.446961      1.848407     -1.068359
  C      -4.173860      2.171717     -1.439473
  C      -3.968849      3.201663     -2.389295
  C      -2.687468      3.538318     -2.771439
  C      -1.564789      2.866524     -2.226715
  C      -1.730787      1.862572     -1.297329
  C      -3.036054      1.495596     -0.883444
  C      -4.773635     -0.177569      6.577025
  C      -5.848642      0.212276      7.582643
  O      -5.990591      1.652832      7.631651
  C      -7.208860      2.166626      7.358716
  O      -8.172990      1.516150      6.995651
  C      -7.225768      3.661327      7.584819
  N      -6.350138      4.123167      8.468439
  C      -6.331683      5.462890      8.678069
  N      -7.034849      6.379430      8.042538
  C      -7.939896      5.923305      7.128462
  C      -8.712326      6.869072      6.410090
  C      -9.653698      6.440389      5.500149
  C      -9.865280      5.057156      5.284812
  C      -9.125611      4.112014      5.963654
  C      -8.128429      4.519341      6.887617
  H      -2.857249      4.641443      7.819510
  H      -4.158101      3.610712      7.233669
  H      -3.204600      5.927553      5.488640
  H      -4.342675      6.173168      6.863007
  H      -7.974512      1.440868      4.241114
  H      -8.925616      3.046447      0.040585
  H      -8.050716      4.922545     -1.357864
  H      -6.240333      6.392819     -0.492039
  H      -5.276352      6.015918      1.755035
  H      -2.196983     -0.730518      3.700162
  H      -0.630164     -1.319468      4.259739
  H      -0.297989     -1.175236      1.944232
  H       0.329488      0.433225      2.450631
  H      -6.596966      0.628248      0.135388
  H      -4.845266      3.702468     -2.802080
  H      -2.529932      4.329166     -3.506394
  H      -0.562281      3.147583     -2.551590
  H      -0.865164      1.344706     -0.881819
  H      -5.096521      0.118604      5.570058
  H      -4.692818     -1.281692      6.595197
  H      -6.805980     -0.245759      7.301169
  H      -5.591106     -0.095530      8.606236
  H      -5.635281      5.812864      9.446630
  H      -8.540896      7.927083      6.611309
  H     -10.251121      7.168255      4.948751
  H     -10.627274      4.735046      4.573382
  H      -9.303496      3.051357      5.807759
  N      -3.727228      1.590508      4.113088
  N      -3.567050      2.196083      2.804888
  H      -3.491645      3.240119      2.871137
  H      -2.733495      1.806790      2.317498
  H      -4.394531      1.974376      2.230792
100
Coordinates from ORCA-job orca E -6707.584432770662
  N      -2.324686      3.470544      6.121489
  Mo     -2.576545      1.589922      5.554513
  N      -3.472640      0.445649      6.840859
  C      -2.772370     -0.058606      8.025358
  C      -1.752641      0.963249      8.500584
  N      -0.965022      1.478202      7.356763
  C      -0.447669      2.857879      7.567701
  C      -0.924092      3.760579      6.417082
  C       0.070749      0.539517      6.879851
  C       0.268295      0.765388      5.383009
  N      -1.037542      0.680136      4.711979
  H      -0.312587      3.589756      5.517532
  H      -0.783876      4.822740      6.683815
  H       0.651052      2.856249      7.649362
  H      -0.844803      3.236618      8.519620
  H       0.961369      0.009453      4.980042
  H       0.740252      1.745996      5.207816
  H      -0.295058     -0.485404      7.036726
  H       1.011515      0.659866      7.445674
  H      -3.479230     -0.244763      8.850768
  H      -2.298325     -1.032317      7.795904
  H      -2.295667      1.818371      8.924493
  H      -1.105059      0.539584      9.289157
  C      -3.296282      4.259766      6.877586
  C      -3.896214      5.448778      6.131588
  O      -5.074462      5.009308      5.380035
  C      -4.913923      4.681486      4.107043
  O      -3.889451      4.861065      3.448841
  C      -6.123922      3.991094      3.528911
  N      -6.631646      3.017272      4.269181
  C      -7.608493      2.262550      3.698541
  N      -8.129192      2.411108      2.496357
  C      -7.648920      3.442490      1.741426
  C      -8.198174      3.670991      0.457200
  C      -7.714383      4.697288     -0.324553
  C      -6.670415      5.532366      0.142757
  C      -6.113281      5.337514      1.389233
  C      -6.590401      4.288970      2.216182
  C      -1.161662     -0.466079      3.808755
  C      -0.559289     -0.248805      2.420449
  O      -1.508486      0.459562      1.555394
  C      -2.270021     -0.327528      0.733518
  O      -2.155265     -1.522896      0.606750
  C      -3.315451      0.510380      0.033485
  N      -4.563307      0.231286      0.387878
  C      -5.541683      0.964524     -0.215851
  N      -5.382880      1.924102     -1.104921
  C      -4.101040      2.220553     -1.469668
  C      -3.868930      3.246773     -2.417088
  C      -2.578750      3.556934     -2.791045
  C      -1.473369      2.861459     -2.240164
  C      -1.666261      1.859976     -1.313720
  C      -2.981725      1.518761     -0.908578
  C      -4.781850     -0.160992      6.592841
  C      -5.852356      0.237262      7.600341
  O      -5.997719      1.678111      7.639393
  C      -7.220692      2.183691      7.371781
  O      -8.184883      1.524470      7.025014
  C      -7.247538      3.678441      7.596669
  N      -6.373516      4.147839      8.477666
  C      -6.365544      5.487997      8.686279
  N      -7.078267      6.398252      8.052722
  C      -7.982399      5.934226      7.141556
  C      -8.764605      6.873320      6.425066
  C      -9.703683      6.436271      5.516630
  C      -9.903065      5.051205      5.301344
  C      -9.154196      4.112576      5.979060
  C      -8.159089      4.528779      6.901465
  H      -2.815784      4.654631      7.791853
  H      -4.128619      3.627550      7.226174
  H      -3.178437      5.918548      5.447829
  H      -4.297239      6.189719      6.833252
  H      -7.992728      1.446797      4.317312
  H      -9.000501      3.015881      0.116385
  H      -8.134638      4.870057     -1.316282
  H      -6.305825      6.341149     -0.492103
  H      -5.311047      5.984063      1.743719
  H      -2.220171     -0.737133      3.689206
  H      -0.663162     -1.346482      4.254546
  H      -0.319531     -1.205365      1.941195
  H       0.329681      0.392671      2.454903
  H      -6.563634      0.727867      0.094474
  H      -4.732406      3.766116     -2.834292
  H      -2.399987      4.345244     -3.523882
  H      -0.463117      3.121527     -2.558359
  H      -0.813819      1.323672     -0.894318
  H      -5.106580      0.129271      5.584891
  H      -4.705619     -1.265289      6.618242
  H      -6.810379     -0.223733      7.326080
  H      -5.590278     -0.061766      8.625292
  H      -5.666475      5.843726      9.449698
  H      -8.602347      7.932889      6.625606
  H     -10.308530      7.158583      4.966032
  H     -10.663136      4.722793      4.590724
  H      -9.322826      3.050429      5.823076
  N      -3.729515      1.580574      4.112667
  N      -3.567954      2.180831      2.802298
  H      -3.493035      3.225126      2.863556
  H      -2.733416      1.792759      2.315254
  H      -4.393454      1.955395      2.226333
100
Coordinates from ORCA-job orca E -6707.584600900429
  N      -2.304572      3.470704      6.087229
  Mo     -2.573870      1.586010      5.538115
  N      -3.482639      0.464462      6.836674
  C      -2.784476     -0.039928      8.022658
  C      -1.754379      0.974701      8.490336
  N      -0.963777      1.473414      7.341364
  C      -0.432996      2.850010      7.538889
  C      -0.899822      3.746381      6.378854
  C       0.062124      0.520086      6.872285
  C       0.260998      0.725656      5.373094
  N      -1.046077      0.649928      4.703996
  H      -0.291261      3.559171      5.480616
  H      -0.747797      4.809519      6.635242
  H       0.665573      2.838219      7.622288
  H      -0.827970      3.242221      8.486171
  H       0.943060     -0.045612      4.980317
  H       0.747068      1.696992      5.184640
  H      -0.313405     -0.499298      7.041221
  H       1.005106      0.637579      7.434967
  H      -3.491252     -0.215379      8.850461
  H      -2.319573     -1.018935      7.797278
  H      -2.287789      1.837631      8.910537
  H      -1.109310      0.549061      9.279968
  C      -3.265645      4.266090      6.850929
  C      -3.872607      5.453135      6.107278
  O      -5.066448      5.016601      5.378220
  C      -4.926831      4.681869      4.104593
  O      -3.906546      4.844430      3.435036
  C      -6.143057      3.984349      3.548251
  N      -6.643653      3.020653      4.306342
  C      -7.626389      2.258816      3.755095
  N      -8.160689      2.393353      2.557298
  C      -7.688249      3.415184      1.784685
  C      -8.253007      3.629533      0.504684
  C      -7.776579      4.645283     -0.295293
  C      -6.724599      5.482764      0.148740
  C      -6.152523      5.301658      1.390484
  C      -6.622492      4.265059      2.236470
  C      -1.180030     -0.494039      3.800176
  C      -0.565755     -0.285554      2.416415
  O      -1.494957      0.444462      1.548542
  C      -2.255094     -0.322335      0.706743
  O      -2.155814     -1.517079      0.568579
  C      -3.274419      0.539984     -0.002850
  N      -4.531487      0.300234      0.347538
  C      -5.485460      1.062558     -0.260098
  N      -5.293629      2.018287     -1.146663
  C      -4.001747      2.274526     -1.506566
  C      -3.734437      3.296633     -2.448947
  C      -2.434065      3.565574     -2.819462
  C      -1.353575      2.831309     -2.269937
  C      -1.580148      1.832229     -1.348088
  C      -2.907073      1.534481     -0.945731
  C      -4.797901     -0.132310      6.596600
  C      -5.861104      0.270280      7.610222
  O      -6.007725      1.711061      7.645993
  C      -7.239409      2.210155      7.407785
  O      -8.210145      1.545093      7.091733
  C      -7.267422      3.706360      7.619495
  N      -6.368929      4.189798      8.467563
  C      -6.363989      5.532161      8.662731
  N      -7.103689      6.431109      8.043849
  C      -8.033941      5.951729      7.167414
  C      -8.846440      6.877587      6.467690
  C      -9.812089      6.424229      5.595744
  C     -10.008969      5.035518      5.402149
  C      -9.231061      4.109557      6.064352
  C      -8.208015      4.542921      6.947287
  H      -2.773646      4.664717      7.757394
  H      -4.094136      3.636649      7.213160
  H      -3.164547      5.914496      5.407894
  H      -4.257065      6.200602      6.811307
  H      -8.004527      1.451270      4.388316
  H      -9.061874      2.973063      0.182339
  H      -8.208682      4.807313     -1.283706
  H      -6.365169      6.281998     -0.500964
  H      -5.343946      5.949920      1.726857
  H      -2.241957     -0.748051      3.673873
  H      -0.697731     -1.381925      4.249038
  H      -0.342247     -1.245813      1.936485
  H       0.336551      0.336790      2.457475
  H      -6.515662      0.854258      0.044173
  H      -4.579544      3.845722     -2.865503
  H      -2.228180      4.350459     -3.548839
  H      -0.334836      3.059219     -2.585756
  H      -0.746354      1.265785     -0.930462
  H      -5.126795      0.159024      5.590204
  H      -4.727735     -1.237065      6.622105
  H      -6.821304     -0.191486      7.345183
  H      -5.591524     -0.026319      8.633903
  H      -5.643925      5.900426      9.400224
  H      -8.685524      7.940302      6.652056
  H     -10.440467      7.136346      5.058374
  H     -10.790437      4.694223      4.721426
  H      -9.397876      3.044502      5.926516
  N      -3.726147      1.580935      4.097162
  N      -3.554494      2.170246      2.782380
  H      -3.477589      3.215511      2.834920
  H      -2.718186      1.775650      2.305351
  H      -4.375344      1.942551      2.201653
100
Coordinates from ORCA-job orca E -6707.584849562123
  N      -2.309700      3.465902      6.072969
  Mo     -2.584795      1.577474      5.540110
  N      -3.486538      0.467452      6.853792
  C      -2.777925     -0.033201      8.035271
  C      -1.742866      0.982261      8.489942
  N      -0.961321      1.474146      7.331837
  C      -0.428913      2.851710      7.517037
  C      -0.902556      3.740498      6.354149
  C       0.060266      0.517542      6.860204
  C       0.247418      0.711813      5.358172
  N      -1.065612      0.635332      4.700249
  H      -0.300805      3.545244      5.452971
  H      -0.745582      4.805110      6.601414
  H       0.670134      2.840569      7.593994
  H      -0.818437      3.250023      8.463996
  H       0.923060     -0.065536      4.966265
  H       0.735888      1.679673      5.158041
  H      -0.314665     -0.500422      7.038477
  H       1.007682      0.637796      7.414743
  H      -3.476983     -0.206322      8.870012
  H      -2.314462     -1.012719      7.809110
  H      -2.271735      1.847808      8.910559
  H      -1.091962      0.559423      9.276304
  C      -3.265328      4.265048      6.840329
  C      -3.877454      5.449089      6.096435
  O      -5.075400      5.007844      5.376364
  C      -4.943388      4.669275      4.103170
  O      -3.930661      4.840123      3.424067
  C      -6.162755      3.969428      3.556470
  N      -6.664492      3.015426      4.326032
  C      -7.650944      2.250783      3.785732
  N      -8.187070      2.373729      2.587376
  C      -7.712951      3.385449      1.802675
  C      -8.278583      3.586467      0.520722
  C      -7.801211      4.592099     -0.291404
  C      -6.747859      5.433257      0.142609
  C      -6.174855      5.264855      1.385600
  C      -6.644770      4.238045      2.243368
  C      -1.204810     -0.506527      3.794933
  C      -0.587410     -0.300409      2.412423
  O      -1.506276      0.444006      1.546918
  C      -2.261766     -0.306981      0.687323
  O      -2.168135     -1.500405      0.535692
  C      -3.264248      0.572290     -0.025073
  N      -4.527283      0.354446      0.319400
  C      -5.464958      1.135386     -0.291056
  N      -5.252654      2.091063     -1.172452
  C      -3.954739      2.326032     -1.525218
  C      -3.665078      3.348449     -2.460441
  C      -2.358564      3.596417     -2.823178
  C      -1.294157      2.839649     -2.272901
  C      -1.542324      1.838851     -1.358477
  C      -2.876743      1.562665     -0.963668
  C      -4.804228     -0.129050      6.627124
  C      -5.859561      0.280946      7.645985
  O      -6.006689      1.722230      7.672715
  C      -7.240843      2.218882      7.442076
  O      -8.213497      1.551876      7.136166
  C      -7.268003      3.716502      7.642935
  N      -6.374756      4.204701      8.493665
  C      -6.371727      5.548273      8.681668
  N      -7.108713      6.443433      8.054370
  C      -8.033288      5.959006      7.174528
  C      -8.842410      6.880694      6.465516
  C      -9.801445      6.422113      5.588981
  C      -9.994724      5.032286      5.399716
  C      -9.220254      4.110379      6.071478
  C      -8.204451      4.549111      6.960046
  H      -2.766825      4.666576      7.741836
  H      -4.091779      3.637313      7.210288
  H      -3.174363      5.907930      5.390450
  H      -4.257917      6.199471      6.799434
  H      -8.029746      1.450571      4.427984
  H      -9.090127      2.928958      0.207157
  H      -8.233354      4.743684     -1.281399
  H      -6.387738      6.224456     -0.516433
  H      -5.365045      5.915971      1.713436
  H      -2.268304     -0.753549      3.668200
  H      -0.727898     -1.398002      4.242706
  H      -0.374802     -1.262006      1.930214
  H       0.322658      0.310433      2.457220
  H      -6.499722      0.941799      0.007132
  H      -4.498486      3.914591     -2.877670
  H      -2.135067      4.381703     -3.546909
  H      -0.269982      3.050951     -2.582652
  H      -0.720246      1.254850     -0.941727
  H      -5.139698      0.156011      5.621133
  H      -4.736119     -1.233823      6.659167
  H      -6.821716     -0.182471      7.391185
  H      -5.582310     -0.008418      8.669637
  H      -5.656001      5.920429      9.421422
  H      -8.684351      7.944473      6.646144
  H     -10.427174      7.130810      5.044055
  H     -10.770641      4.687142      4.714598
  H      -9.384292      3.044434      5.936602
  N      -3.745748      1.566149      4.106665
  N      -3.579026      2.149864      2.789334
  H      -3.519686      3.196810      2.835022
  H      -2.735551      1.766737      2.315961
  H      -4.392848      1.906559      2.204267
100
Coordinates from ORCA-job orca E -6707.585111254600
  N      -2.339621      3.459475      6.069197
  Mo     -2.605339      1.567520      5.546136
  N      -3.492504      0.458518      6.870699
  C      -2.771880     -0.036675      8.047345
  C      -1.738957      0.985328      8.492538
  N      -0.969081      1.480468      7.327785
  C      -0.446952      2.862646      7.506616
  C      -0.933228      3.743996      6.343905
  C       0.056510      0.530859      6.851265
  C       0.232366      0.721737      5.347685
  N      -1.085115      0.635735      4.698751
  H      -0.334403      3.549590      5.440553
  H      -0.781857      4.810560      6.586404
  H       0.652501      2.860659      7.578398
  H      -0.835166      3.260110      8.454441
  H       0.909119     -0.053661      4.953900
  H       0.713967      1.691573      5.140584
  H      -0.309331     -0.489480      7.034703
  H       1.006750      0.659580      7.399124
  H      -3.462764     -0.213314      8.888094
  H      -2.304105     -1.013570      7.818736
  H      -2.270025      1.848156      8.915996
  H      -1.079567      0.567784      9.274636
  C      -3.298743      4.254266      6.837168
  C      -3.918080      5.433905      6.092721
  O      -5.112202      4.983580      5.371813
  C      -4.978708      4.644375      4.099086
  O      -3.967783      4.820825      3.418632
  C      -6.196774      3.940245      3.555203
  N      -6.704624      2.997125      4.334317
  C      -7.691078      2.229173      3.799489
  N      -8.219693      2.337378      2.596191
  C      -7.739089      3.337952      1.801245
  C      -8.295622      3.522082      0.512519
  C      -7.813253      4.517604     -0.309080
  C      -6.765304      5.366705      0.122662
  C      -6.201056      5.214488      1.371602
  C      -6.673626      4.195812      2.237779
  C      -1.220320     -0.504951      3.790953
  C      -0.600906     -0.295702      2.410118
  O      -1.514142      0.456998      1.546387
  C      -2.258063     -0.282728      0.667752
  O      -2.160601     -1.474148      0.502160
  C      -3.251032      0.603798     -0.048192
  N      -4.518489      0.395833      0.287126
  C      -5.445565      1.182285     -0.332856
  N      -5.219560      2.137598     -1.211144
  C      -3.917204      2.364127     -1.552574
  C      -3.611880      3.386814     -2.482635
  C      -2.300293      3.626050     -2.832780
  C      -1.246970      2.858833     -2.275857
  C      -1.510321      1.856359     -1.367651
  C      -2.850425      1.590563     -0.984472
  C      -4.810397     -0.141135      6.655070
  C      -5.859867      0.280642      7.674686
  O      -5.998926      1.723287      7.688283
  C      -7.229537      2.227914      7.456354
  O      -8.211590      1.565885      7.170534
  C      -7.245693      3.725005      7.662725
  N      -6.352366      4.201357      8.520070
  C      -6.339046      5.543900      8.715182
  N      -7.065487      6.448473      8.089386
  C      -7.988389      5.976705      7.200878
  C      -8.785496      6.909250      6.492524
  C      -9.741855      6.464009      5.606330
  C      -9.943592      5.077065      5.405402
  C      -9.180825      4.144802      6.076300
  C      -8.169599      4.569501      6.976772
  H      -2.800881      4.659210      7.737401
  H      -4.122171      3.622996      7.208375
  H      -3.217886      5.897397      5.386895
  H      -4.303531      6.182246      6.794967
  H      -8.074880      1.436969      4.448770
  H      -9.105287      2.860502      0.202541
  H      -8.238092      4.656126     -1.304116
  H      -6.402036      6.150552     -0.543341
  H      -5.395232      5.871712      1.696652
  H      -2.283447     -0.753472      3.663828
  H      -0.741688     -1.396458      4.237071
  H      -0.393082     -1.257285      1.925933
  H       0.312548      0.309921      2.458145
  H      -6.483814      0.995573     -0.043313
  H      -4.437429      3.960189     -2.905586
  H      -2.064151      4.411918     -3.551824
  H      -0.218422      3.062993     -2.575970
  H      -0.696194      1.263515     -0.947884
  H      -5.149862      0.136035      5.648256
  H      -4.744453     -1.245801      6.696301
  H      -6.825011     -0.180456      7.427006
  H      -5.579903     -0.001146      8.699725
  H      -5.624435      5.905957      9.460985
  H      -8.620526      7.970614      6.681036
  H     -10.358182      7.181091      5.061658
  H     -10.716405      4.742552      4.711587
  H      -9.351057      3.081187      5.931529
  N      -3.772711      1.544331      4.117829
  N      -3.612566      2.122612      2.799041
  H      -3.578681      3.171147      2.838022
  H      -2.757989      1.757872      2.330696
  H      -4.415559      1.857110      2.206930
100
Coordinates from ORCA-job orca E -6707.585405923208
  N      -2.357151      3.456237      6.060782
  Mo     -2.623042      1.561735      5.547913
  N      -3.502054      0.458870      6.883341
  C      -2.773177     -0.033256      8.056209
  C      -1.738374      0.990961      8.492287
  N      -0.976669      1.484686      7.321383
  C      -0.457576      2.868922      7.492912
  C      -0.950443      3.744271      6.328939
  C       0.048593      0.536278      6.842165
  C       0.216170      0.721573      5.336997
  N      -1.104900      0.631883      4.695169
  H      -0.354843      3.547178      5.424054
  H      -0.800481      4.812232      6.566320
  H       0.642174      2.870024      7.560528
  H      -0.843162      3.268770      8.440804
  H       0.891148     -0.055239      4.942967
  H       0.695643      1.690932      5.122861
  H      -0.313386     -0.484393      7.031485
  H       1.001684      0.669398      7.384089
  H      -3.457979     -0.208874      8.902220
  H      -2.306042     -1.010187      7.826470
  H      -2.267901      1.853847      8.917486
  H      -1.073085      0.576192      9.270827
  C      -3.315593      4.251112      6.829349
  C      -3.940779      5.425390      6.081553
  O      -5.134885      4.967820      5.365497
  C      -5.004046      4.623509      4.093854
  O      -3.994958      4.798395      3.410222
  C      -6.223319      3.916663      3.556686
  N      -6.734914      2.982748      4.344526
  C      -7.724231      2.214018      3.816725
  N      -8.251122      2.311847      2.611680
  C      -7.765955      3.302468      1.807252
  C      -8.319708      3.474771      0.515457
  C      -7.833748      4.461116     -0.315035
  C      -6.786130      5.313473      0.110981
  C      -6.224590      5.172697      1.362341
  C      -6.699163      4.161951      2.236981
  C      -1.241199     -0.507928      3.785968
  C      -0.616352     -0.300142      2.407569
  O      -1.518957      0.464980      1.543346
  C      -2.253192     -0.260324      0.645128
  O      -2.157786     -1.450114      0.464942
  C      -3.232118      0.638493     -0.074476
  N      -4.504206      0.448686      0.254355
  C      -5.417100      1.243389     -0.376003
  N      -5.172926      2.193858     -1.254645
  C      -3.865429      2.404013     -1.586796
  C      -3.540074      3.422887     -2.514426
  C      -2.222695      3.645272     -2.854623
  C      -1.183925      2.863407     -2.291023
  C      -1.467124      1.863557     -1.386056
  C      -2.812974      1.616519     -1.011728
  C      -4.821828     -0.140013      6.678332
  C      -5.862080      0.284853      7.705925
  O      -5.996774      1.727953      7.719956
  C      -7.229157      2.236866      7.508225
  O      -8.215648      1.580622      7.224499
  C      -7.233742      3.736031      7.700354
  N      -6.337090      4.213246      8.553760
  C      -6.316344      5.557108      8.739603
  N      -7.038155      6.461356      8.108022
  C      -7.964028      5.988574      7.223107
  C      -8.757014      6.920335      6.509154
  C      -9.716422      6.474035      5.626810
  C      -9.925141      5.086835      5.434912
  C      -9.166244      4.155328      6.111253
  C      -8.152764      4.580925      7.008512
  H      -2.815550      4.661360      7.725986
  H      -4.136135      3.619278      7.205974
  H      -3.244181      5.888789      5.372059
  H      -4.326835      6.175243      6.781784
  H      -8.113224      1.430745      4.473686
  H      -9.130510      2.811805      0.211363
  H      -8.256113      4.590309     -1.312370
  H      -6.420739      6.090516     -0.561764
  H      -5.418886      5.832394      1.682302
  H      -2.305060     -0.752133      3.656262
  H      -0.766774     -1.401569      4.232449
  H      -0.417907     -1.262929      1.921900
  H       0.303759      0.295081      2.459216
  H      -6.459706      1.070317     -0.094036
  H      -4.354975      4.007068     -2.943204
  H      -1.970862      4.428580     -3.571104
  H      -0.150564      3.053978     -2.583620
  H      -0.663932      1.258322     -0.962830
  H      -5.168632      0.136726      5.673858
  H      -4.757751     -1.244766      6.720463
  H      -6.830542     -0.173862      7.466806
  H      -5.574217      0.002615      8.728720
  H      -5.599415      5.920534      9.482532
  H      -8.586608      7.982115      6.690393
  H     -10.329718      7.190629      5.078091
  H     -10.700060      4.751523      4.743859
  H      -9.341695      3.091667      5.973360
  N      -3.795418      1.530914      4.123332
  N      -3.636013      2.100097      2.801987
  H      -3.618184      3.149643      2.833288
  H      -2.773204      1.746604      2.339592
  H      -4.429640      1.816991      2.204250
100
Coordinates from ORCA-job orca E -6707.585760182184
  N      -2.366078      3.457639      6.051008
  Mo     -2.636083      1.561490      5.545960
  N      -3.509936      0.464873      6.890572
  C      -2.776411     -0.025782      8.061134
  C      -1.738149      0.998038      8.489819
  N      -0.982187      1.489272      7.313914
  C      -0.462929      2.874550      7.479450
  C      -0.958689      3.746398      6.314046
  C       0.040938      0.539670      6.833298
  C       0.203686      0.719975      5.327058
  N      -1.119321      0.630045      4.689662
  H      -0.365143      3.547055      5.408444
  H      -0.810386      4.815289      6.548514
  H       0.637057      2.875371      7.544677
  H      -0.846217      3.277360      8.427018
  H       0.876632     -0.058925      4.933600
  H       0.682709      1.688200      5.107269
  H      -0.319743     -0.480508      7.027983
  H       0.996628      0.674911      7.370235
  H      -3.457293     -0.197813      8.911212
  H      -2.312941     -1.004348      7.831095
  H      -2.264502      1.861775      8.917011
  H      -1.068305      0.584049      9.264819
  C      -3.323159      4.252967      6.820303
  C      -3.956345      5.420452      6.068128
  O      -5.152089      4.955939      5.360357
  C      -5.025539      4.605424      4.089728
  O      -4.018723      4.778660      3.402323
  C      -6.247802      3.900301      3.558014
  N      -6.768052      2.976662      4.352257
  C      -7.763000      2.212784      3.828613
  N      -8.285495      2.303176      2.620991
  C      -7.789213      3.281479      1.808566
  C      -8.336359      3.444627      0.512394
  C      -7.840158      4.419973     -0.325031
  C      -6.789563      5.269988      0.097847
  C      -6.234237      5.137990      1.352738
  C      -6.718370      4.137568      2.234721
  C      -1.259415     -0.510761      3.781811
  C      -0.628635     -0.308824      2.406047
  O      -1.518391      0.471916      1.541753
  C      -2.246497     -0.237374      0.626596
  O      -2.157705     -1.425740      0.433204
  C      -3.210439      0.672833     -0.099025
  N      -4.486576      0.508834      0.226807
  C      -5.383286      1.308700     -0.419582
  N      -5.118241      2.244116     -1.308712
  C      -3.805278      2.430983     -1.633257
  C      -3.455757      3.438043     -2.565199
  C      -2.131618      3.636727     -2.895933
  C      -1.110568      2.841047     -2.319634
  C      -1.417980      1.851582     -1.411133
  C      -2.769755      1.631513     -1.044778
  C      -4.831025     -0.133158      6.692422
  C      -5.865446      0.292506      7.725257
  O      -5.996855      1.735444      7.739586
  C      -7.232331      2.246195      7.553672
  O      -8.224423      1.593171      7.282782
  C      -7.228906      3.746471      7.736211
  N      -6.316785      4.226130      8.571930
  C      -6.290776      5.570941      8.750685
  N      -7.022517      6.473186      8.127264
  C      -7.964119      5.997353      7.260757
  C      -8.769378      6.925996      6.556553
  C      -9.745448      6.475981      5.694576
  C      -9.959085      5.088004      5.513604
  C      -9.188053      4.159456      6.180260
  C      -8.158140      4.588976      7.056201
  H      -2.820335      4.670827      7.712037
  H      -4.138947      3.620232      7.205142
  H      -3.264884      5.883076      5.353026
  H      -4.341638      6.172368      6.766688
  H      -8.163700      1.441705      4.492831
  H      -9.150120      2.783467      0.212310
  H      -8.257554      4.542157     -1.325377
  H      -6.416655      6.038433     -0.580604
  H      -5.425688      5.795469      1.669706
  H      -2.324525     -0.747883      3.648867
  H      -0.792045     -1.406692      4.231121
  H      -0.444852     -1.273901      1.919036
  H       0.301030      0.271252      2.458853
  H      -6.430896      1.156069     -0.144327
  H      -4.257266      4.032867     -3.004404
  H      -1.861273      4.411567     -3.614842
  H      -0.071938      3.012763     -2.605265
  H      -0.628778      1.233837     -0.979435
  H      -5.183146      0.144658      5.689924
  H      -4.767508     -1.237940      6.733717
  H      -6.836252     -0.164616      7.492573
  H      -5.571998      0.008921      8.746243
  H      -5.562718      5.937478      9.481260
  H      -8.594759      7.988527      6.729265
  H     -10.368468      7.190577      5.154266
  H     -10.747125      4.749487      4.839170
  H      -9.366799      3.095219      6.051422
  N      -3.810466      1.526690      4.122530
  N      -3.645965      2.080754      2.796043
  H      -3.638741      3.131295      2.816308
  H      -2.774967      1.733136      2.344163
  H      -4.428596      1.780594      2.192092
100
Coordinates from ORCA-job orca E -6707.586142711097
  N      -2.371460      3.459290      6.045789
  Mo     -2.647340      1.562690      5.546042
  N      -3.516104      0.469877      6.897366
  C      -2.779982     -0.018827      8.066891
  C      -1.738126      1.004149      8.488782
  N      -0.986617      1.492621      7.308665
  C      -0.465595      2.878083      7.469788
  C      -0.963518      3.748458      6.304075
  C       0.033623      0.541142      6.826310
  C       0.192938      0.719416      5.319441
  N      -1.131181      0.631299      4.684690
  H      -0.372111      3.548088      5.397417
  H      -0.816224      4.817718      6.537302
  H       0.634606      2.877382      7.532453
  H      -0.846090      3.283112      8.417510
  H       0.864271     -0.060529      4.925220
  H       0.672096      1.686953      5.097329
  H      -0.327312     -0.478378      7.023999
  H       0.991507      0.676243      7.359482
  H      -3.458557     -0.185881      8.919955
  H      -2.320669     -0.999640      7.838097
  H      -2.261110      1.869231      8.917242
  H      -1.064769      0.590616      9.260934
  C      -3.327115      4.257800      6.812983
  C      -3.964874      5.419098      6.054358
  O      -5.163282      4.950993      5.354426
  C      -5.041971      4.592757      4.084939
  O      -4.033502      4.751591      3.396675
  C      -6.268973      3.891085      3.559898
  N      -6.798938      2.979328      4.361386
  C      -7.801465      2.221854      3.843505
  N      -8.320671      2.304712      2.633910
  C      -7.813249      3.269705      1.812877
  C      -8.355941      3.423872      0.513394
  C      -7.850116      4.387209     -0.332005
  C      -6.794732      5.233660      0.085728
  C      -6.243176      5.110005      1.343006
  C      -6.736187      4.120877      2.233505
  C      -1.275626     -0.510554      3.778537
  C      -0.637665     -0.316269      2.405458
  O      -1.514009      0.479516      1.539729
  C      -2.237138     -0.214146      0.609775
  O      -2.155316     -1.401153      0.403067
  C      -3.187203      0.706739     -0.121607
  N      -4.466327      0.569744      0.204073
  C      -5.348138      1.370908     -0.460599
  N      -5.064890      2.284482     -1.366924
  C      -3.747452      2.448640     -1.685915
  C      -3.376175      3.438592     -2.627693
  C      -2.046201      3.615582     -2.948918
  C      -1.040424      2.813747     -2.354325
  C      -1.369911      1.839673     -1.436989
  C      -2.726881      1.643764     -1.079145
  C      -4.837923     -0.128190      6.703605
  C      -5.869372      0.298156      7.739097
  O      -5.998143      1.740776      7.752707
  C      -7.236029      2.252097      7.587232
  O      -8.232992      1.599648      7.333741
  C      -7.228399      3.752722      7.766650
  N      -6.301670      4.233437      8.585809
  C      -6.272330      5.578528      8.761720
  N      -7.014852      6.479854      8.149249
  C      -7.971560      6.002550      7.300388
  C      -8.789934      6.929353      6.608939
  C      -9.781571      6.477129      5.766044
  C      -9.998140      5.088727      5.591694
  C      -9.214382      4.161885      6.245799
  C      -8.169021      4.593800      7.101727
  H      -2.822136      4.683408      7.699962
  H      -4.139862      3.626406      7.205993
  H      -3.276245      5.878229      5.334271
  H      -4.348368      6.174875      6.750017
  H      -8.212105      1.462335      4.514876
  H      -9.173822      2.765326      0.218868
  H      -8.264164      4.502387     -1.334595
  H      -6.414764      5.992905     -0.599130
  H      -5.430805      5.764696      1.655560
  H      -2.341831     -0.740194      3.641356
  H      -0.816398     -1.408919      4.231471
  H      -0.468622     -1.283524      1.917247
  H       0.301300      0.248429      2.459518
  H      -6.399670      1.241565     -0.187914
  H      -4.165322      4.039096     -3.081351
  H      -1.759663      4.378459     -3.674315
  H       0.002706      2.968519     -2.632953
  H      -0.593487      1.215204     -0.991677
  H      -5.193628      0.149650      5.702283
  H      -4.773532     -1.232842      6.744812
  H      -6.841647     -0.157754      7.510172
  H      -5.573247      0.013790      8.759229
  H      -5.531723      5.946932      9.478675
  H      -8.612409      7.992288      6.776176
  H     -10.414729      7.190727      5.236293
  H     -10.798288      4.748205      4.932712
  H      -9.394833      3.097258      6.122696
  N      -3.823136      1.524619      4.123014
  N      -3.652597      2.062214      2.791423
  H      -3.654864      3.112882      2.800663
  H      -2.772726      1.720799      2.351605
  H      -4.423563      1.743848      2.181568
100
Coordinates from ORCA-job orca E -6707.586548340548
  N      -2.370037      3.460701      6.044870
  Mo     -2.655336      1.564328      5.548940
  N      -3.519722      0.474248      6.905347
  C      -2.782302     -0.012768      8.074522
  C      -1.735252      1.007820      8.489346
  N      -0.987587      1.492462      7.304977
  C      -0.461528      2.876611      7.462365
  C      -0.960718      3.747496      6.297308
  C       0.027648      0.537187      6.819812
  C       0.183387      0.714465      5.312340
  N      -1.141795      0.631281      4.680136
  H      -0.372823      3.545640      5.388768
  H      -0.811588      4.816464      6.530269
  H       0.638876      2.872001      7.521848
  H      -0.838151      3.284076      8.410514
  H       0.851875     -0.067251      4.916644
  H       0.665001      1.680600      5.089411
  H      -0.335901     -0.481008      7.019416
  H       0.988044      0.669504      7.349192
  H      -3.459413     -0.173224      8.930072
  H      -2.328321     -0.996569      7.847899
  H      -2.253186      1.875208      8.919208
  H      -1.059146      0.593368      9.258594
  C      -3.321851      4.264611      6.810670
  C      -3.965023      5.419130      6.045704
  O      -5.167742      4.946854      5.356774
  C      -5.053109      4.579746      4.088691
  O      -4.046957      4.731762      3.395721
  C      -6.284993      3.881409      3.571236
  N      -6.820608      2.978799      4.379042
  C      -7.828239      2.224514      3.866792
  N      -8.346221      2.300367      2.656270
  C      -7.831922      3.254919      1.827645
  C      -8.371742      3.399631      0.525638
  C      -7.859685      4.352649     -0.327598
  C      -6.801126      5.197746      0.084616
  C      -6.251906      5.082843      1.343685
  C      -6.750663      4.103763      2.242492
  C      -1.292738     -0.510142      3.774657
  C      -0.647940     -0.323742      2.403800
  O      -1.510180      0.488714      1.537670
  C      -2.231061     -0.187762      0.594743
  O      -2.158329     -1.373101      0.373742
  C      -3.167316      0.745796     -0.140260
  N      -4.448164      0.638051      0.188787
  C      -5.316501      1.440012     -0.492541
  N      -5.017695      2.328659     -1.418317
  C      -3.696909      2.468627     -1.735706
  C      -3.306671      3.437904     -2.690872
  C      -1.972316      3.592704     -3.006058
  C      -0.979765      2.787904     -2.393097
  C      -1.328620      1.832259     -1.463525
  C      -2.689689      1.660212     -1.111193
  C      -4.842470     -0.123229      6.714621
  C      -5.874303      0.306558      7.748359
  O      -6.001222      1.749035      7.756050
  C      -7.240810      2.259342      7.600682
  O      -8.240875      1.604326      7.366873
  C      -7.233497      3.759791      7.781276
  N      -6.295254      4.241699      8.586741
  C      -6.265517      5.586684      8.762487
  N      -7.019198      6.486945      8.161737
  C      -7.987957      6.008280      7.327706
  C      -8.819061      6.933470      6.649292
  C      -9.822809      6.479236      5.821944
  C     -10.039202      5.090467      5.650423
  C      -9.243282      4.165052      6.291756
  C      -8.185638      4.599164      7.131377
  H      -2.812725      4.698831      7.691171
  H      -4.130979      3.635694      7.214829
  H      -3.280147      5.872455      5.318461
  H      -4.344962      6.180109      6.737913
  H      -8.243627      1.472909      4.544116
  H      -9.192053      2.741763      0.236466
  H      -8.271542      4.460482     -1.331924
  H      -6.416399      5.948882     -0.606498
  H      -5.436929      5.736390      1.651780
  H      -2.360246     -0.730659      3.632945
  H      -0.843146     -1.412163      4.230245
  H      -0.494420     -1.292212      1.912690
  H       0.300624      0.224425      2.459673
  H      -6.370601      1.335387     -0.218473
  H      -4.084353      4.042428     -3.158826
  H      -1.672104      4.341271     -3.740806
  H       0.066780      2.925762     -2.667351
  H      -0.563877      1.203897     -1.003396
  H      -5.199197      0.152248      5.712964
  H      -4.777127     -1.227668      6.758128
  H      -6.846992     -0.148947      7.520566
  H      -5.579529      0.024429      8.769612
  H      -5.514330      5.956755      9.467441
  H      -8.640992      7.996716      6.813980
  H     -10.465585      7.191925      5.302642
  H     -10.848647      4.748234      5.003806
  H      -9.422943      3.100009      6.171180
  N      -3.833633      1.526258      4.127537
  N      -3.657365      2.047659      2.790972
  H      -3.668779      3.098145      2.790096
  H      -2.768435      1.712690      2.364610
  H      -4.416759      1.710807      2.175940
100
Coordinates from ORCA-job orca E -6707.586966050950
  N      -2.370564      3.459882      6.045702
  Mo     -2.663594      1.563593      5.553762
  N      -3.524214      0.474486      6.912986
  C      -2.785878     -0.010849      8.082040
  C      -1.734598      1.007804      8.491042
  N      -0.990265      1.489507      7.303279
  C      -0.459660      2.872123      7.458162
  C      -0.959917      3.743851      6.293896
  C       0.020601      0.531116      6.814947
  C       0.173140      0.708724      5.307084
  N      -1.153026      0.630405      4.677055
  H      -0.375330      3.540325      5.383552
  H      -0.807151      4.812271      6.526514
  H       0.640843      2.864358      7.515040
  H      -0.833463      3.281374      8.406573
  H       0.838913     -0.074560      4.909769
  H       0.657944      1.673495      5.084741
  H      -0.345875     -0.485958      7.014723
  H       0.982849      0.659996      7.341729
  H      -3.462046     -0.166059      8.939249
  H      -2.335359     -0.996797      7.857737
  H      -2.248220      1.877208      8.922066
  H      -1.056624      0.592297      9.258104
  C      -3.319324      4.270871      6.807801
  C      -3.965196      5.419206      6.035747
  O      -5.171938      4.943168      5.356093
  C      -5.064213      4.567224      4.089638
  O      -4.060878      4.711720      3.391153
  C      -6.300094      3.868310      3.582684
  N      -6.837840      2.977199      4.401460
  C      -7.851232      2.222813      3.901005
  N      -8.373361      2.288970      2.691773
  C      -7.857208      3.232291      1.851649
  C      -8.401297      3.365662      0.550082
  C      -7.888016      4.306744     -0.315609
  C      -6.824286      5.151494      0.084046
  C      -6.271112      5.047537      1.342321
  C      -6.770108      4.080102      2.253451
  C      -1.308268     -0.508984      3.770437
  C      -0.656167     -0.328036      2.402103
  O      -1.504494      0.500460      1.536355
  C      -2.222277     -0.158625      0.580392
  O      -2.157283     -1.341732      0.344717
  C      -3.144535      0.788536     -0.156658
  N      -4.426513      0.708087      0.175915
  C      -5.282721      1.512870     -0.518064
  N      -4.971383      2.378455     -1.460611
  C      -3.648254      2.495342     -1.778400
  C      -3.242520      3.444238     -2.746927
  C      -1.905216      3.579125     -3.057934
  C      -0.923514      2.773864     -2.427922
  C      -1.288185      1.835981     -1.486323
  C      -2.652842      1.684026     -1.138470
  C      -4.848169     -0.121631      6.725007
  C      -5.879981      0.312997      7.756824
  O      -6.004379      1.755861      7.758553
  C      -7.244528      2.266875      7.607863
  O      -8.247318      1.610474      7.389893
  C      -7.236048      3.767013      7.790457
  N      -6.290433      4.248003      8.587807
  C      -6.258367      5.592769      8.763849
  N      -7.017659      6.493764      8.171320
  C      -7.994334      6.016266      7.346170
  C      -8.831466      6.942470      6.676466
  C      -9.842258      6.489286      5.857194
  C     -10.059841      5.100808      5.685328
  C      -9.258637      4.174351      6.318475
  C      -8.193778      4.607321      7.149897
  H      -2.806795      4.712948      7.682358
  H      -4.126768      3.645879      7.221732
  H      -3.282327      5.864871      5.302051
  H      -4.341668      6.186425      6.723099
  H      -8.266039      1.478829      4.587172
  H      -9.225757      2.708518      0.271187
  H      -8.302719      4.405569     -1.319674
  H      -6.438637      5.893305     -0.616513
  H      -5.452580      5.701183      1.640740
  H      -2.376611     -0.721862      3.623635
  H      -0.867250     -1.414894      4.227119
  H      -0.515203     -1.296346      1.906884
  H       0.300309      0.205729      2.462562
  H      -6.337806      1.430704     -0.239937
  H      -4.010351      4.051436     -3.227589
  H      -1.593910      4.313593     -3.802291
  H       0.125663      2.897080     -2.698613
  H      -0.533163      1.206533     -1.011666
  H      -5.205198      0.150775      5.722690
  H      -4.782936     -1.225915      6.771645
  H      -6.853135     -0.141429      7.529059
  H      -5.587463      0.033543      8.779486
  H      -5.499042      5.962163      9.460287
  H      -8.651858      8.005478      6.840947
  H     -10.489337      7.202770      5.344360
  H     -10.874465      4.759598      5.044695
  H      -9.438730      3.109412      6.197465
  N      -3.843687      1.526083      4.134117
  N      -3.661920      2.034184      2.793538
  H      -3.686469      3.084048      2.783649
  H      -2.762748      1.709065      2.381781
  H      -4.408205      1.677800      2.172077
100
Coordinates from ORCA-job orca E -6707.587392661393
  N      -2.373181      3.459474      6.049022
  Mo     -2.672818      1.563109      5.560379
  N      -3.530411      0.473092      6.920178
  C      -2.791046     -0.011328      8.088902
  C      -1.735959      1.005342      8.493389
  N      -0.994874      1.485195      7.302828
  C      -0.459596      2.865928      7.456365
  C      -0.960948      3.739296      6.293627
  C       0.011669      0.524076      6.810411
  C       0.161127      0.703384      5.302426
  N      -1.166251      0.630333      4.674578
  H      -0.379720      3.534301      5.381361
  H      -0.803166      4.806884      6.526417
  H       0.640964      2.855059      7.510564
  H      -0.830655      3.276375      8.405280
  H       0.823885     -0.081561      4.903249
  H       0.649878      1.666633      5.081543
  H      -0.358209     -0.491966      7.009073
  H       0.975490      0.648666      7.335244
  H      -3.466192     -0.162704      8.947484
  H      -2.342868     -0.998749      7.866307
  H      -2.245598      1.876279      8.926141
  H      -1.056468      0.588145      9.258249
  C      -3.318508      4.277404      6.808152
  C      -3.968630      5.419236      6.030411
  O      -5.178975      4.937330      5.360313
  C      -5.077988      4.555057      4.095200
  O      -4.080557      4.701625      3.388712
  C      -6.316053      3.852072      3.598801
  N      -6.851597      2.970277      4.428762
  C      -7.867377      2.210864      3.940648
  N      -8.394756      2.265777      2.733192
  C      -7.881135      3.200107      1.881541
  C      -8.430325      3.320323      0.580841
  C      -7.919421      4.250985     -0.297699
  C      -6.852643      5.098337      0.088436
  C      -6.295086      5.007250      1.345801
  C      -6.791361      4.050878      2.269553
  C      -1.324722     -0.506162      3.765623
  C      -0.665446     -0.328990      2.399838
  O      -1.499588      0.514927      1.534614
  C      -2.213435     -0.126641      0.565249
  O      -2.155538     -1.307094      0.314995
  C      -3.121496      0.834932     -0.172244
  N      -4.403804      0.780737      0.165193
  C      -5.249337      1.590186     -0.537495
  N      -4.928001      2.434584     -1.494716
  C      -3.603726      2.527500     -1.816452
  C      -3.186059      3.455354     -2.799748
  C      -1.847234      3.569920     -3.111110
  C      -0.874681      2.764975     -2.466585
  C      -1.251489      1.845474     -1.511669
  C      -2.618613      1.712859     -1.164646
  C      -4.855679     -0.121193      6.734916
  C      -5.886690      0.317754      7.765648
  O      -6.007640      1.761317      7.763477
  C      -7.247149      2.274777      7.612755
  O      -8.252093      1.618784      7.403157
  C      -7.236111      3.774590      7.796933
  N      -6.287445      4.253610      8.591673
  C      -6.252080      5.598199      8.767781
  N      -7.011926      6.500882      8.178871
  C      -7.992080      6.025805      7.356611
  C      -8.829446      6.954467      6.690496
  C      -9.842569      6.504107      5.872625
  C     -10.062151      5.116262      5.698777
  C      -9.261324      4.187446      6.328831
  C      -8.194096      4.617329      7.159277
  H      -2.801735      4.727283      7.676119
  H      -4.123850      3.656159      7.232257
  H      -3.289005      5.857722      5.289507
  H      -4.341817      6.192137      6.713158
  H      -8.277249      1.472022      4.635416
  H      -9.256854      2.661546      0.312009
  H      -8.337626      4.339633     -1.301249
  H      -6.468115      5.831152     -0.622031
  H      -5.474639      5.663170      1.633973
  H      -2.393768     -0.712229      3.614080
  H      -0.891514     -1.416207      4.222015
  H      -0.535020     -1.296499      1.900331
  H       0.297752      0.191905      2.466539
  H      -6.303849      1.529940     -0.251725
  H      -3.945576      4.064911     -3.290561
  H      -1.527284      4.289281     -3.866526
  H       0.176266      2.873764     -2.736350
  H      -0.504435      1.216474     -1.023901
  H      -5.212934      0.148918      5.732167
  H      -4.791530     -1.225454      6.784032
  H      -6.860471     -0.134720      7.536710
  H      -5.596837      0.039697      8.789396
  H      -5.487931      5.965675      9.459836
  H      -8.647813      8.016927      6.856196
  H     -10.489536      7.219266      5.361990
  H     -10.878318      4.777589      5.058752
  H      -9.442891      3.122948      6.206018
  N      -3.854764      1.528038      4.143259
  N      -3.667609      2.024871      2.799481
  H      -3.707010      3.073985      2.781329
  H      -2.758329      1.710338      2.402906
  H      -4.400470      1.649482      2.171319
100
Coordinates from ORCA-job orca E -6707.587813479467
  N      -2.381016      3.459070      6.052091
  Mo     -2.683894      1.561865      5.567581
  N      -3.538046      0.469848      6.927423
  C      -2.796676     -0.013202      8.095549
  C      -1.739548      1.002937      8.496326
  N      -1.002191      1.482255      7.303296
  C      -0.464621      2.862083      7.455698
  C      -0.967690      3.736045      6.294201
  C       0.001707      0.520106      6.807062
  C       0.148314      0.701465      5.299074
  N      -1.180472      0.631430      4.673424
  H      -0.388837      3.530081      5.380541
  H      -0.806238      4.803150      6.526726
  H       0.635997      2.849975      7.507706
  H      -0.833908      3.273169      8.405015
  H       0.809026     -0.084415      4.898312
  H       0.639474      1.663774      5.079150
  H      -0.370085     -0.495496      7.004475
  H       0.966615      0.641837      7.330508
  H      -3.470184     -0.162650      8.955653
  H      -2.349042     -1.001120      7.874045
  H      -2.246857      1.874402      8.930818
  H      -1.058124      0.585009      9.259108
  C      -3.324422      4.283138      6.807102
  C      -3.978365      5.417892      6.022957
  O      -5.190059      4.928051      5.359962
  C      -5.094182      4.540792      4.096261
  O      -4.101367      4.688566      3.383374
  C      -6.334395      3.834371      3.609288
  N      -6.869451      2.962602      4.450060
  C      -7.889424      2.200962      3.974116
  N      -8.422314      2.246824      2.768661
  C      -7.909566      3.171634      1.906152
  C      -8.464867      3.282295      0.607196
  C      -7.955643      4.203456     -0.282632
  C      -6.883708      5.050360      0.090288
  C      -6.320623      4.968468      1.345861
  C      -6.815189      4.022422      2.280706
  C      -1.339550     -0.502568      3.761926
  C      -0.672663     -0.326990      2.399479
  O      -1.493041      0.531033      1.535130
  C      -2.199894     -0.094244      0.551071
  O      -2.146231     -1.271786      0.286768
  C      -3.094747      0.879976     -0.186460
  N      -4.376814      0.849180      0.155741
  C      -5.213172      1.662796     -0.554105
  N      -4.883885      2.487766     -1.524554
  C      -3.559279      2.558171     -1.851091
  C      -3.132446      3.465261     -2.849587
  C      -1.792853      3.560312     -3.163592
  C      -0.828397      2.756323     -2.506105
  C      -1.214599      1.855150     -1.537605
  C      -2.583309      1.740785     -1.189313
  C      -4.864111     -0.123658      6.745764
  C      -5.892234      0.317907      7.778208
  O      -6.009438      1.762172      7.775718
  C      -7.247745      2.279821      7.627385
  O      -8.255464      1.626914      7.421125
  C      -7.230700      3.779839      7.808811
  N      -6.279551      4.256825      8.601592
  C      -6.238542      5.601637      8.774937
  N      -6.996339      6.506138      8.186610
  C      -7.979416      6.033454      7.366384
  C      -8.814431      6.964711      6.700896
  C      -9.829472      6.517430      5.883787
  C     -10.053108      5.130225      5.710303
  C      -9.255003      4.199030      6.340166
  C      -8.186093      4.625485      7.170395
  H      -2.804385      4.740822      7.668937
  H      -4.128199      3.665508      7.239812
  H      -3.301523      5.850547      5.276130
  H      -4.350491      6.195819      6.700437
  H      -8.296976      1.468726      4.677259
  H      -9.295231      2.624491      0.347879
  H      -8.378509      4.285142     -1.284823
  H      -6.499682      5.774689     -0.628965
  H      -5.496806      5.624399      1.624095
  H      -2.408910     -0.703834      3.605681
  H      -0.912438     -1.415977      4.217694
  H      -0.550662     -1.293473      1.896049
  H       0.295982      0.182826      2.473698
  H      -6.266798      1.619686     -0.262677
  H      -3.885186      4.076141     -3.349100
  H      -1.465877      4.264123     -3.930573
  H       0.223823      2.851241     -2.776166
  H      -0.474041      1.227450     -1.038328
  H      -5.222933      0.145196      5.743311
  H      -4.801261     -1.227982      6.796285
  H      -6.867195     -0.132161      7.549427
  H      -5.602617      0.039463      8.801827
  H      -5.471045      5.966984      9.464382
  H      -8.629296      8.026622      6.866173
  H     -10.474537      7.234263      5.373106
  H     -10.870542      4.794212      5.070483
  H      -9.439859      3.135098      6.217360
  N      -3.867003      1.527670      4.152684
  N      -3.673958      2.014458      2.805955
  H      -3.731186      3.062630      2.778955
  H      -2.754444      1.712141      2.424650
  H      -4.391589      1.619746      2.170258
100
Coordinates from ORCA-job orca E -6707.588223426706
  N      -2.388603      3.459570      6.052264
  Mo     -2.694916      1.560896      5.573212
  N      -3.547181      0.468246      6.933568
  C      -2.803567     -0.013720      8.100978
  C      -1.744308      1.001703      8.498213
  N      -1.010333      1.479723      7.302647
  C      -0.470176      2.858811      7.452958
  C      -0.974073      3.732573      6.291927
  C      -0.009250      0.515933      6.803613
  C       0.135004      0.697891      5.295578
  N      -1.195507      0.630778      4.672088
  H      -0.397266      3.524668      5.377342
  H      -0.808920      4.799437      6.523281
  H       0.630510      2.845100      7.503103
  H      -0.837544      3.271298      8.402436
  H       0.793105     -0.089842      4.894189
  H       0.628656      1.658739      5.074945
  H      -0.383125     -0.498967      7.000826
  H       0.956671      0.635093      7.325805
  H      -3.474978     -0.161354      8.962996
  H      -2.356908     -1.002242      7.880232
  H      -2.249347      1.873815      8.934048
  H      -1.061035      0.583287      9.259089
  C      -3.329527      4.289301      6.804063
  C      -3.989613      5.415466      6.013239
  O      -5.202787      4.916031      5.359352
  C      -5.113228      4.526660      4.096252
  O      -4.126498      4.680151      3.375890
  C      -6.354895      3.815835      3.618370
  N      -6.888405      2.951807      4.468107
  C      -7.912219      2.188762      4.002652
  N      -8.450890      2.227508      2.799441
  C      -7.939626      3.144458      1.927826
  C      -8.501251      3.248217      0.631036
  C      -7.994154      4.162196     -0.267734
  C      -6.917067      5.007747      0.093337
  C      -6.347959      4.932285      1.346684
  C      -6.841107      3.994847      2.290745
  C      -1.355276     -0.501222      3.758202
  C      -0.679799     -0.326791      2.399899
  O      -1.484891      0.545811      1.536246
  C      -2.183038     -0.062876      0.536022
  O      -2.133301     -1.237384      0.257680
  C      -3.063627      0.924785     -0.200777
  N      -4.344566      0.918428      0.147668
  C      -5.171550      1.738496     -0.566188
  N      -4.834260      2.546155     -1.547832
  C      -3.510343      2.590916     -1.882084
  C      -3.075311      3.477385     -2.895647
  C      -1.735800      3.549006     -3.216709
  C      -0.780208      2.742214     -2.550251
  C      -1.174835      1.859844     -1.568072
  C      -2.543878      1.767374     -1.214543
  C      -4.874434     -0.123697      6.756998
  C      -5.897507      0.318992      7.793947
  O      -6.010933      1.763670      7.794417
  C      -7.248157      2.285236      7.651588
  O      -8.258505      1.636018      7.446369
  C      -7.224746      3.785860      7.826469
  N      -6.270924      4.262956      8.615741
  C      -6.224964      5.608457      8.783426
  N      -6.980913      6.513065      8.193212
  C      -7.967018      6.040253      7.376413
  C      -8.800400      6.971890      6.709454
  C      -9.817930      6.525135      5.895175
  C     -10.045473      5.137977      5.726248
  C      -9.249123      4.206576      6.357929
  C      -8.178100      4.632313      7.185685
  H      -2.805360      4.755977      7.658515
  H      -4.130544      3.674927      7.246632
  H      -3.317705      5.842970      5.258991
  H      -4.360531      6.198357      6.685517
  H      -8.318646      1.463196      4.713234
  H      -9.335143      2.591739      0.379798
  H      -8.422250      4.239265     -1.268099
  H      -6.533765      5.725018     -0.633227
  H      -5.520311      5.587004      1.615969
  H      -2.425013     -0.697121      3.597135
  H      -0.934848     -1.417970      4.213667
  H      -0.566488     -1.292507      1.893137
  H       0.294383      0.171186      2.482475
  H      -6.223574      1.714453     -0.267453
  H      -3.821408      4.092122     -3.400290
  H      -1.402132      4.236632     -3.995364
  H       0.272661      2.820258     -2.823419
  H      -0.440750      1.230908     -1.060755
  H      -5.236325      0.145518      5.755741
  H      -4.813816     -1.228199      6.807650
  H      -6.874322     -0.128262      7.567294
  H      -5.605406      0.038271      8.816150
  H      -5.454456      5.973669      9.469623
  H      -8.611948      8.033752      6.871254
  H     -10.461833      7.241954      5.383036
  H     -10.864697      4.802412      5.088486
  H      -9.437339      3.142886      6.238547
  N      -3.879116      1.527777      4.160569
  N      -3.678772      2.004899      2.811292
  H      -3.753229      3.051973      2.775079
  H      -2.750106      1.713804      2.444449
  H      -4.380854      1.592792      2.167894
100
Coordinates from ORCA-job orca E -6707.588598290833
  N      -2.395976      3.462213      6.051699
  Mo     -2.705333      1.561910      5.577798
  N      -3.556243      0.467893      6.938174
  C      -2.810189     -0.013839      8.104445
  C      -1.749441      1.000994      8.499323
  N      -1.018534      1.478556      7.301719
  C      -0.476466      2.857329      7.450665
  C      -0.980361      3.731085      6.289895
  C      -0.019827      0.513611      6.800274
  C       0.122517      0.696048      5.292378
  N      -1.209652      0.631467      4.670764
  H      -0.404718      3.521679      5.374884
  H      -0.812499      4.797805      6.520385
  H       0.624285      2.842222      7.499944
  H      -0.842677      3.270653      8.400250
  H       0.778257     -0.093348      4.890451
  H       0.617707      1.655655      5.070323
  H      -0.395204     -0.500758      6.997493
  H       0.946977      0.630697      7.321370
  H      -3.479302     -0.160871      8.968361
  H      -2.364472     -1.002672      7.883239
  H      -2.252902      1.873182      8.936786
  H      -1.064217      0.582127      9.258182
  C      -3.334892      4.297064      6.800172
  C      -4.000829      5.414444      6.002222
  O      -5.214464      4.904942      5.356829
  C      -5.131198      4.514822      4.093827
  O      -4.149205      4.671396      3.367414
  C      -6.374907      3.801734      3.624060
  N      -6.909427      2.945882      4.481480
  C      -7.938437      2.184692      4.024864
  N      -8.481093      2.217451      2.823156
  C      -7.968577      3.125799      1.943451
  C      -8.535087      3.224604      0.648368
  C      -8.028376      4.132194     -0.257328
  C      -6.945713      4.974740      0.093883
  C      -6.371395      4.903413      1.345192
  C      -6.865069      3.973769      2.296896
  C      -1.369767     -0.499424      3.755008
  C      -0.685249     -0.326675      2.401244
  O      -1.474187      0.559842      1.537708
  C      -2.162381     -0.033133      0.521291
  O      -2.115518     -1.204634      0.230163
  C      -3.029558      0.965622     -0.215655
  N      -4.308737      0.983103      0.139032
  C      -5.126424      1.809874     -0.577961
  N      -4.781632      2.599750     -1.571359
  C      -3.459324      2.617457     -1.914569
  C      -3.016606      3.481493     -2.944281
  C      -1.677813      3.526743     -3.274270
  C      -0.731662      2.716020     -2.599429
  C      -1.134118      1.854752     -1.601867
  C      -2.502697      1.787686     -1.241584
  C      -4.884285     -0.123042      6.766358
  C      -5.902161      0.318679      7.808917
  O      -6.013399      1.763397      7.814442
  C      -7.250071      2.287901      7.680328
  O      -8.263181      1.642156      7.477734
  C      -7.220560      3.789209      7.848089
  N      -6.261457      4.266856      8.630442
  C      -6.210624      5.613087      8.792168
  N      -6.967283      6.517313      8.202439
  C      -7.959022      6.043705      7.392600
  C      -8.793705      6.974951      6.726831
  C      -9.816818      6.527907      5.919724
  C     -10.048593      5.140635      5.757122
  C      -9.250968      4.209746      6.387937
  C      -8.174661      4.635696      7.208371
  H      -2.806935      4.772737      7.647258
  H      -4.133253      3.685944      7.252071
  H      -3.333782      5.837655      5.241284
  H      -4.371549      6.201946      6.669208
  H      -8.346967      1.467113      4.742220
  H      -9.372711      2.570445      0.403723
  H      -8.461080      4.206389     -1.255987
  H      -6.561915      5.685518     -0.638693
  H      -5.539163      5.555147      1.606893
  H      -2.439742     -0.690372      3.589253
  H      -0.955881     -1.418815      4.211175
  H      -0.580938     -1.292120      1.892073
  H       0.294581      0.158692      2.491948
  H      -6.176736      1.805561     -0.272701
  H      -3.756057      4.100506     -3.453368
  H      -1.337559      4.196284     -4.065667
  H       0.321296      2.774692     -2.877330
  H      -0.406785      1.223890     -1.087156
  H      -5.249774      0.147567      5.766711
  H      -4.825423     -1.227739      6.815935
  H      -6.880718     -0.126557      7.585681
  H      -5.605648      0.034628      8.828891
  H      -5.436238      5.978668      9.473864
  H      -8.601722      8.036901      6.883884
  H     -10.461987      7.244233      5.408515
  H     -10.872105      4.804699      5.125111
  H      -9.442831      3.146218      6.273529
  N      -3.890240      1.530572      4.166715
  N      -3.681401      1.998479      2.815091
  H      -3.773398      3.043929      2.768990
  H      -2.743625      1.718933      2.463301
  H      -4.366087      1.570213      2.162131
100
Coordinates from ORCA-job orca E -6707.588928736864
  N      -2.399394      3.464592      6.049865
  Mo     -2.714246      1.562873      5.581330
  N      -3.563776      0.470209      6.944225
  C      -2.815413     -0.010541      8.109598
  C      -1.752227      1.003436      8.500268
  N      -1.024151      1.478588      7.299812
  C      -0.478962      2.856679      7.445735
  C      -0.982593      3.729523      6.284597
  C      -0.028634      0.511192      6.796835
  C       0.111329      0.691925      5.288588
  N      -1.222509      0.630239      4.669004
  H      -0.408927      3.517686      5.368931
  H      -0.812438      4.796281      6.513377
  H       0.621863      2.839001      7.493653
  H      -0.842963      3.271950      8.395322
  H       0.764171     -0.099775      4.886520
  H       0.608061      1.649980      5.063718
  H      -0.405525     -0.502242      6.995937
  H       0.939605      0.626642      7.315738
  H      -3.482150     -0.155033      8.975833
  H      -2.372359     -1.000631      7.888705
  H      -2.253370      1.876642      8.938290
  H      -1.064894      0.584781      9.257307
  C      -3.334489      4.303810      6.797880
  C      -4.007566      5.412767      5.994179
  O      -5.222540      4.894809      5.358994
  C      -5.145978      4.504454      4.095500
  O      -4.168104      4.662777      3.363916
  C      -6.391347      3.790103      3.632533
  N      -6.927020      2.939890      4.494751
  C      -7.959753      2.180875      4.043477
  N      -8.504190      2.208954      2.842403
  C      -7.990173      3.111133      1.957323
  C      -8.559021      3.206025      0.662901
  C      -8.052723      4.110111     -0.246591
  C      -6.967516      4.951555      0.099049
  C      -6.389835      4.882800      1.349004
  C      -6.883757      3.957620      2.305295
  C      -1.385181     -0.499507      3.751683
  C      -0.692006     -0.329876      2.402114
  O      -1.464855      0.570786      1.538534
  C      -2.141462     -0.006563      0.505441
  O      -2.096337     -1.174701      0.199541
  C      -2.995920      1.003508     -0.231069
  N      -4.271724      1.046892      0.132942
  C      -5.080195      1.880790     -0.585576
  N      -4.728760      2.652832     -1.590795
  C      -3.409385      2.641867     -1.945869
  C      -2.960298      3.484078     -2.991047
  C      -1.623629      3.500594     -3.333358
  C      -0.686331      2.682606     -2.655101
  C      -1.095528      1.842271     -1.642626
  C      -2.461740      1.803604     -1.270822
  C      -4.892652     -0.119732      6.776918
  C      -5.907256      0.321857      7.822795
  O      -6.017156      1.766245      7.830353
  C      -7.253875      2.291319      7.702726
  O      -8.268451      1.646479      7.504671
  C      -7.222371      3.793041      7.866777
  N      -6.258244      4.272073      8.642106
  C      -6.206124      5.618714      8.800564
  N      -6.965775      6.521795      8.212729
  C      -7.962663      6.046423      7.410169
  C      -8.801365      6.976009      6.747201
  C      -9.830216      6.527142      5.948400
  C     -10.063922      5.139490      5.791509
  C      -9.262245      4.210170      6.419598
  C      -8.180209      4.638076      7.231160
  H      -2.801473      4.788245      7.636790
  H      -4.128829      3.695544      7.260602
  H      -3.346086      5.832096      5.226299
  H      -4.376987      6.204458      6.657081
  H      -8.371062      1.469720      4.765575
  H      -9.398295      2.552486      0.422438
  H      -8.488276      4.182074     -1.244217
  H      -6.583646      5.658617     -0.637056
  H      -5.554585      5.532272      1.606243
  H      -2.455603     -0.683596      3.581071
  H      -0.979248     -1.421717      4.209320
  H      -0.598621     -1.295126      1.890333
  H       0.294197      0.141120      2.499088
  H      -6.128090      1.899938     -0.272397
  H      -3.693165      4.109742     -3.501510
  H      -1.278314      4.152833     -4.136870
  H       0.365363      2.719527     -2.941515
  H      -0.374959      1.206183     -1.124711
  H      -5.261143      0.151320      5.778409
  H      -4.834639     -1.224485      6.826440
  H      -6.887057     -0.122329      7.602890
  H      -5.607404      0.035933      8.841323
  H      -5.427990      5.985844      9.477184
  H      -8.607774      8.038301      6.899993
  H     -10.478636      7.242314      5.439697
  H     -10.891926      4.801832      5.166342
  H      -9.455777      3.146474      6.309890
  N      -3.901277      1.531859      4.172186
  N      -3.683923      1.989088      2.818603
  H      -3.788971      3.032817      2.762759
  H      -2.739040      1.719461      2.478745
  H      -4.353145      1.546402      2.158319
100
Coordinates from ORCA-job orca E -6707.589151135440
  N      -2.404769      3.473792      6.055980
  Mo     -2.719362      1.570788      5.586091
  N      -3.572003      0.467029      6.938834
  C      -2.823698     -0.016939      8.103386
  C      -1.763113      0.997228      8.500311
  N      -1.033891      1.476438      7.302413
  C      -0.486796      2.853951      7.453340
  C      -0.986617      3.730791      6.293807
  C      -0.039171      0.509616      6.797689
  C       0.103324      0.695777      5.291260
  N      -1.231472      0.637425      4.670387
  H      -0.411848      3.519686      5.378553
  H      -0.812086      4.796547      6.524756
  H       0.613950      2.834404      7.503501
  H      -0.852130      3.266636      8.403621
  H       0.754707     -0.096339      4.887945
  H       0.601087      1.653360      5.067769
  H      -0.418536     -0.503889      6.991926
  H       0.927756      0.620778      7.320008
  H      -3.490160     -0.167241      8.968815
  H      -2.378159     -1.005102      7.878900
  H      -2.266652      1.868219      8.940006
  H      -1.076575      0.577321      9.257340
  C      -3.336800      4.317566      6.803037
  C      -4.017014      5.418324      5.995197
  O      -5.229735      4.885924      5.368024
  C      -5.162525      4.506140      4.101363
  O      -4.194997      4.681055      3.359629
  C      -6.407651      3.785151      3.647947
  N      -6.931983      2.930621      4.513023
  C      -7.967328      2.170473      4.070375
  N      -8.524408      2.200667      2.874962
  C      -8.023028      3.107891      1.987621
  C      -8.608327      3.209655      0.701349
  C      -8.118895      4.124685     -0.206762
  C      -7.031438      4.967051      0.129564
  C      -6.435226      4.888687      1.370481
  C      -6.915114      3.956099      2.326813
  C      -1.389231     -0.492254      3.750997
  C      -0.684087     -0.322128      2.408408
  O      -1.440455      0.587434      1.543793
  C      -2.102659      0.019692      0.495671
  O      -2.053165     -1.145589      0.182117
  C      -2.951449      1.032050     -0.239399
  N      -4.223807      1.090671      0.134301
  C      -5.027925      1.932319     -0.580187
  N      -4.675807      2.690780     -1.596256
  C      -3.362253      2.650416     -1.970533
  C      -2.915024      3.460831     -3.041457
  C      -1.584108      3.441125     -3.406681
  C      -0.652533      2.620842     -2.722714
  C      -1.058512      1.812718     -1.682773
  C      -2.420655      1.808728     -1.294268
  C      -4.899968     -0.123233      6.770966
  C      -5.911510      0.311525      7.823029
  O      -6.022637      1.755498      7.843817
  C      -7.257430      2.282840      7.712304
  O      -8.271695      1.641729      7.500633
  C      -7.222240      3.785064      7.873713
  N      -6.258776      4.262908      8.650276
  C      -6.202499      5.609983      8.805966
  N      -6.956701      6.514081      8.213253
  C      -7.953305      6.039822      7.409115
  C      -8.786559      6.970982      6.741739
  C      -9.815564      6.524420      5.941832
  C     -10.054691      5.137219      5.788662
  C      -9.258022      4.206571      6.421261
  C      -8.175850      4.631932      7.233560
  H      -2.797700      4.809168      7.633658
  H      -4.128882      3.712880      7.274525
  H      -3.362082      5.836698      5.221245
  H      -4.388647      6.212474      6.653935
  H      -8.371037      1.457741      4.795097
  H      -9.447716      2.554875      0.465105
  H      -8.569729      4.204161     -1.197109
  H      -6.659433      5.680388     -0.606509
  H      -5.596235      5.535821      1.620635
  H      -2.458868     -0.676009      3.574930
  H      -0.987101     -1.414963      4.210770
  H      -0.593513     -1.287440      1.896251
  H       0.305011      0.139951      2.518250
  H      -6.072008      1.966825     -0.256682
  H      -3.645118      4.088999     -3.552684
  H      -1.238436      4.065222     -4.231983
  H       0.395546      2.631493     -3.024658
  H      -0.340672      1.178933     -1.158403
  H      -5.269799      0.152015      5.774015
  H      -4.843604     -1.228369      6.816243
  H      -6.892013     -0.131707      7.604097
  H      -5.606509      0.018412      8.837893
  H      -5.425487      5.975309      9.484947
  H      -8.589035      8.032870      6.892363
  H     -10.460324      7.240357      5.429594
  H     -10.882970      4.801127      5.163028
  H      -9.457065      3.143684      6.314460
  N      -3.906015      1.549387      4.177548
  N      -3.679518      2.010518      2.824029
  H      -3.803184      3.051919      2.763387
  H      -2.725118      1.755462      2.500448
  H      -4.328709      1.561765      2.145981
100
Coordinates from ORCA-job orca E -6707.589474644962
  N      -2.415271      3.472647      6.049601
  Mo     -2.732754      1.569490      5.585352
  N      -3.576866      0.472410      6.949700
  C      -2.822433     -0.006774      8.111724
  C      -1.760162      1.009596      8.498117
  N      -1.036536      1.484590      7.294661
  C      -0.490567      2.863577      7.438568
  C      -0.997068      3.735786      6.278708
  C      -0.043225      0.517312      6.788940
  C       0.092121      0.698700      5.280853
  N      -1.245380      0.638656      4.665895
  H      -0.426445      3.523839      5.361160
  H      -0.825917      4.802853      6.505546
  H       0.610503      2.845219      7.483735
  H      -0.851452      3.277940      8.389749
  H       0.741858     -0.093544      4.875260
  H       0.586255      1.656703      5.051631
  H      -0.419256     -0.496387      6.988609
  H       0.926423      0.631647      7.305522
  H      -3.484426     -0.153249      8.981426
  H      -2.379613     -0.996439      7.888281
  H      -2.262535      1.882293      8.935722
  H      -1.069090      0.594452      9.253564
  C      -3.345043      4.316615      6.799875
  C      -4.027435      5.415646      5.990666
  O      -5.240005      4.882728      5.366510
  C      -5.173011      4.493372      4.101571
  O      -4.199648      4.647467      3.363688
  C      -6.423335      3.782725      3.649312
  N      -6.963680      2.940043      4.515958
  C      -8.001858      2.186899      4.069705
  N      -8.543620      2.206982      2.866972
  C      -8.024717      3.100821      1.976176
  C      -8.591009      3.188783      0.680029
  C      -8.086068      4.092171     -0.230603
  C      -7.003140      4.937250      0.113387
  C      -6.422818      4.869825      1.362161
  C      -6.916905      3.946956      2.321270
  C      -1.408202     -0.491867      3.747846
  C      -0.698895     -0.329667      2.406389
  O      -1.444540      0.590288      1.541178
  C      -2.090331      0.035854      0.476516
  O      -2.036774     -1.125565      0.146110
  C      -2.927774      1.056279     -0.261558
  N      -4.197265      1.138972      0.116635
  C      -4.990593      1.984680     -0.604415
  N      -4.630058      2.728593     -1.628607
  C      -3.318186      2.667846     -2.005673
  C      -2.860000      3.465606     -3.080919
  C      -1.531000      3.421590     -3.449079
  C      -0.611109      2.586746     -2.766425
  C      -1.028000      1.790809     -1.721216
  C      -2.387980      1.815405     -1.325825
  C      -4.904316     -0.120585      6.786899
  C      -5.914194      0.317703      7.839363
  O      -6.026841      1.761096      7.852467
  C      -7.264226      2.285949      7.738029
  O      -8.281281      1.642253      7.549231
  C      -7.229092      3.788232      7.902707
  N      -6.253556      4.264239      8.665801
  C      -6.195574      5.610782      8.824107
  N      -6.959067      6.516046      8.244507
  C      -7.967577      6.043569      7.454869
  C      -8.811399      6.975103      6.801345
  C      -9.853149      6.528851      6.017865
  C     -10.095248      5.141964      5.867205
  C      -9.288185      4.210604      6.485718
  C      -8.192943      4.635823      7.280329
  H      -2.803140      4.809740      7.627761
  H      -4.135121      3.712846      7.275650
  H      -3.372085      5.834582      5.217455
  H      -4.399821      6.210599      6.648569
  H      -8.421725      1.486473      4.797413
  H      -9.428499      2.532512      0.441246
  H      -8.522440      4.160096     -1.228234
  H      -6.620781      5.643955     -0.623933
  H      -5.585191      5.516911      1.616981
  H      -2.478256     -0.669113      3.568872
  H      -1.012553     -1.415295      4.211950
  H      -0.622618     -1.295739      1.892940
  H       0.297431      0.116741      2.515037
  H      -6.034327      2.041239     -0.282323
  H      -3.581115      4.103363     -3.593164
  H      -1.176937      4.037061     -4.277364
  H       0.434916      2.575938     -3.074811
  H      -0.320065      1.143025     -1.200340
  H      -5.277693      0.150318      5.790039
  H      -4.844747     -1.225261      6.836211
  H      -6.895211     -0.127813      7.628128
  H      -5.603758      0.029596      8.854298
  H      -5.410268      5.975385      9.493830
  H      -8.611737      8.036964      6.949358
  H     -10.505911      7.245862      5.517333
  H     -10.933500      4.805955      5.254970
  H      -9.488695      3.147722      6.381210
  N      -3.923081      1.536478      4.175901
  N      -3.690186      1.986077      2.821559
  H      -3.816893      3.026359      2.752628
  H      -2.732545      1.742668      2.496670
  H      -4.327736      1.527165      2.138571
100
Coordinates from ORCA-job orca E -6707.589725240325
  N      -2.409624      3.475632      6.061347
  Mo     -2.733337      1.572594      5.596124
  N      -3.575438      0.474193      6.960726
  C      -2.820873     -0.005839      8.122243
  C      -1.755964      1.008594      8.506315
  N      -1.034011      1.483220      7.301480
  C      -0.483923      2.860092      7.446019
  C      -0.989807      3.734130      6.287338
  C      -0.044209      0.513657      6.792609
  C       0.088571      0.694669      5.284448
  N      -1.249437      0.639141      4.670412
  H      -0.421736      3.520623      5.368608
  H      -0.815773      4.800499      6.514733
  H       0.617035      2.837830      7.490308
  H      -0.842984      3.275008      8.397586
  H       0.735810     -0.099301      4.878146
  H       0.585737      1.651314      5.055347
  H      -0.421873     -0.499142      6.993268
  H       0.927377      0.625745      7.306078
  H      -3.482472     -0.149298      8.992687
  H      -2.381309     -0.997007      7.899099
  H      -2.255615      1.881969      8.945716
  H      -1.063626      0.591756      9.259731
  C      -3.335178      4.321207      6.814604
  C      -4.027074      5.413029      6.003132
  O      -5.241317      4.875792      5.386285
  C      -5.178201      4.494064      4.118050
  O      -4.210367      4.662860      3.376435
  C      -6.425343      3.778271      3.664412
  N      -6.958766      2.927572      4.527015
  C      -7.993650      2.170514      4.078501
  N      -8.539060      2.195646      2.877754
  C      -8.028882      3.099734      1.992056
  C      -8.601658      3.194695      0.699284
  C      -8.106538      4.108693     -0.206352
  C      -7.027367      4.957389      0.139831
  C      -6.441440      4.883747      1.385736
  C      -6.925007      3.949754      2.339338
  C      -1.417130     -0.488026      3.749959
  C      -0.705567     -0.328120      2.409623
  O      -1.442218      0.602138      1.546106
  C      -2.076380      0.059708      0.469623
  O      -2.019005     -1.097453      0.124050
  C      -2.907394      1.087233     -0.269345
  N      -4.168413      1.202228      0.128047
  C      -4.956653      2.050894     -0.594145
  N      -4.596890      2.772612     -1.633733
  C      -3.292707      2.679813     -2.031373
  C      -2.837821      3.452580     -3.126333
  C      -1.517775      3.374066     -3.519737
  C      -0.602159      2.529400     -2.844243
  C      -1.015631      1.758741     -1.779022
  C      -2.366193      1.817942     -1.355939
  C      -4.903316     -0.118087      6.797269
  C      -5.916579      0.318840      7.846820
  O      -6.028750      1.761939      7.857856
  C      -7.265895      2.283926      7.728022
  O      -8.279199      1.635709      7.534199
  C      -7.239194      3.785364      7.899128
  N      -6.270402      4.264276      8.669041
  C      -6.219951      5.610420      8.830535
  N      -6.983506      6.513510      8.247121
  C      -7.985042      6.038075      7.450914
  C      -8.828572      6.966778      6.792789
  C      -9.863824      6.517045      6.002729
  C     -10.099906      5.129428      5.849835
  C      -9.293096      4.200531      6.472419
  C      -8.203802      4.629494      7.273632
  H      -2.788849      4.822333      7.634730
  H      -4.118751      3.717612      7.301466
  H      -3.376110      5.829307      5.224746
  H      -4.397516      6.209855      6.659859
  H      -8.405457      1.461470      4.802486
  H      -9.435901      2.534635      0.459407
  H      -8.548557      4.182109     -1.201115
  H      -6.652699      5.672614     -0.593202
  H      -5.607016      5.534052      1.642973
  H      -2.487923     -0.658477      3.568620
  H      -1.027324     -1.414631      4.212984
  H      -0.638109     -1.292527      1.891772
  H       0.295528      0.107309      2.519453
  H      -5.994592      2.133355     -0.258882
  H      -3.554301      4.098964     -3.634346
  H      -1.167757      3.969831     -4.364050
  H       0.436509      2.490965     -3.174552
  H      -0.311865      1.102956     -1.262651
  H      -5.276149      0.153949      5.800571
  H      -4.841900     -1.222727      6.844905
  H      -6.896583     -0.126672      7.630878
  H      -5.611262      0.029698      8.863013
  H      -5.439755      5.978069      9.504421
  H      -8.633781      8.029245      6.942939
  H     -10.515838      7.232239      5.498614
  H     -10.933145      4.790436      5.232433
  H      -9.488430      3.136824      6.365760
  N      -3.928889      1.546001      4.191077
  N      -3.692589      1.989833      2.838203
  H      -3.822415      3.029046      2.766631
  H      -2.731977      1.751616      2.521270
  H      -4.322069      1.525872      2.152107
100
Coordinates from ORCA-job orca E -6707.589991011427
  N      -2.418933      3.481193      6.070803
  Mo     -2.741382      1.579380      5.600489
  N      -3.580276      0.473878      6.961186
  C      -2.824693     -0.007745      8.121148
  C      -1.761873      1.007946      8.507216
  N      -1.040686      1.485868      7.303315
  C      -0.490761      2.862429      7.451256
  C      -0.998600      3.739283      6.295451
  C      -0.050820      0.518304      6.790955
  C       0.080676      0.704797      5.283323
  N      -1.258100      0.650451      4.670563
  H      -0.432270      3.527781      5.375122
  H      -0.823114      4.804995      6.524662
  H       0.610201      2.840456      7.494207
  H      -0.849166      3.274611      8.404258
  H       0.727940     -0.087271      4.873474
  H       0.577217      1.662541      5.057360
  H      -0.428188     -0.495360      6.987922
  H       0.920827      0.628641      7.304616
  H      -3.485996     -0.154750      8.991200
  H      -2.382807     -0.997407      7.895790
  H      -2.263418      1.879904      8.947343
  H      -1.069307      0.591386      9.260595
  C      -3.342517      4.326330      6.827822
  C      -4.037351      5.418515      6.019910
  O      -5.250780      4.879449      5.403136
  C      -5.189233      4.501888      4.133550
  O      -4.223304      4.674288      3.390498
  C      -6.436407      3.785673      3.680335
  N      -6.970615      2.936948      4.544245
  C      -8.003156      2.176226      4.096277
  N      -8.543960      2.195095      2.893269
  C      -8.033155      3.097470      2.006028
  C      -8.600777      3.184987      0.710452
  C      -8.106738      4.098162     -0.196736
  C      -7.033411      4.953787      0.151056
  C      -6.451805      4.886522      1.399387
  C      -6.933927      3.953075      2.354060
  C      -1.425507     -0.476108      3.749377
  C      -0.709176     -0.319603      2.411095
  O      -1.437049      0.615653      1.545872
  C      -2.050521      0.081619      0.454421
  O      -1.980906     -1.071326      0.096465
  C      -2.877310      1.109729     -0.288015
  N      -4.133256      1.247208      0.118545
  C      -4.916608      2.095887     -0.609680
  N      -4.556331      2.799824     -1.660815
  C      -3.257711      2.681934     -2.070105
  C      -2.803392      3.428163     -3.183364
  C      -1.491094      3.316544     -3.593542
  C      -0.582680      2.465094     -2.916880
  C      -0.994610      1.722596     -1.831176
  C      -2.338102      1.815855     -1.391093
  C      -4.907274     -0.119752      6.795662
  C      -5.920191      0.312555      7.847652
  O      -6.034100      1.755723      7.864249
  C      -7.271409      2.277861      7.733505
  O      -8.283869      1.629823      7.534572
  C      -7.245362      3.778451      7.911840
  N      -6.276283      4.254005      8.683440
  C      -6.225765      5.599318      8.851099
  N      -6.989251      6.505089      8.271980
  C      -7.991461      6.033476      7.474474
  C      -8.835201      6.965494      6.821251
  C      -9.871283      6.519606      6.030131
  C     -10.108044      5.132816      5.871552
  C      -9.301131      4.200771      6.489213
  C      -8.210649      4.625671      7.291187
  H      -2.792521      4.826814      7.645740
  H      -4.124463      3.722631      7.317395
  H      -3.386993      5.837255      5.242303
  H      -4.408845      6.213451      6.678295
  H      -8.415476      1.469012      4.821769
  H      -9.430916      2.520161      0.469436
  H      -8.545077      4.165847     -1.193521
  H      -6.659844      5.669129     -0.582445
  H      -5.621283      5.541490      1.657638
  H      -2.496072     -0.644837      3.564919
  H      -1.038593     -1.403353      4.213792
  H      -0.645996     -1.283901      1.892564
  H       0.294851      0.108182      2.525281
  H      -5.951039      2.193996     -0.268815
  H      -3.514615      4.079087     -3.692935
  H      -1.141312      3.890120     -4.453226
  H       0.449435      2.398819     -3.262993
  H      -0.296390      1.061971     -1.313687
  H      -5.280731      0.154964      5.799977
  H      -4.844186     -1.224479      6.839453
  H      -6.899744     -0.133388      7.630655
  H      -5.613517      0.020625      8.862566
  H      -5.444365      5.963629      9.525377
  H      -8.640139      8.027255      6.975881
  H     -10.523353      7.237261      5.529596
  H     -10.942121      4.796996      5.253529
  H      -9.496906      3.137615      6.377954
  N      -3.937059      1.554820      4.194704
  N      -3.695887      2.001832      2.843930
  H      -3.836209      3.039529      2.770636
  H      -2.729187      1.778985      2.534259
  H      -4.311023      1.533990      2.146328
100
Coordinates from ORCA-job orca E -6707.590287226874
  N      -2.432495      3.485505      6.087021
  Mo     -2.745578      1.586438      5.605249
  N      -3.580311      0.471119      6.959565
  C      -2.826710     -0.011653      8.119672
  C      -1.769779      1.007540      8.511571
  N      -1.047014      1.491486      7.311521
  C      -0.501896      2.868942      7.465895
  C      -1.013272      3.748954      6.313476
  C      -0.052946      0.529303      6.796924
  C       0.080126      0.723903      5.289872
  N      -1.257622      0.667356      4.675887
  H      -0.446821      3.542206      5.392073
  H      -0.839704      4.814220      6.545905
  H       0.599057      2.851202      7.508388
  H      -0.861945      3.276161      8.420457
  H       0.730901     -0.063491      4.876686
  H       0.574498      1.684460      5.070799
  H      -0.427868     -0.486472      6.987790
  H       0.917187      0.639997      7.313222
  H      -3.490521     -0.164272      8.986762
  H      -2.378983     -0.998458      7.893225
  H      -2.276757      1.876761      8.951013
  H      -1.078876      0.592494      9.267367
  C      -3.359174      4.326002      6.846576
  C      -4.052566      5.423396      6.045047
  O      -5.263598      4.888643      5.419203
  C      -5.197147      4.517391      4.148128
  O      -4.228494      4.691408      3.409232
  C      -6.442919      3.802724      3.687118
  N      -6.978368      2.950815      4.546975
  C      -8.005561      2.185549      4.093355
  N      -8.538493      2.203268      2.886826
  C      -8.026807      3.109621      2.003989
  C      -8.586038      3.194705      0.704650
  C      -8.091637      4.110586     -0.199677
  C      -7.026706      4.973621      0.156596
  C      -6.453734      4.909193      1.409125
  C      -6.934940      3.971377      2.359401
  C      -1.422044     -0.459072      3.755103
  C      -0.706005     -0.302930      2.417059
  O      -1.438127      0.628956      1.551684
  C      -2.024180      0.096228      0.446762
  O      -1.928976     -1.051572      0.076286
  C      -2.855897      1.117281     -0.298709
  N      -4.102828      1.278624      0.126354
  C      -4.887300      2.124322     -0.605163
  N      -4.534723      2.810574     -1.669457
  C      -3.244677      2.668526     -2.098272
  C      -2.799858      3.390463     -3.230680
  C      -1.499989      3.245371     -3.667203
  C      -0.594625      2.384435     -2.998776
  C      -0.995092      1.668759     -1.890849
  C      -2.326932      1.797590     -1.422796
  C      -4.905354     -0.125868      6.787275
  C      -5.919912      0.297608      7.841392
  O      -6.036774      1.741025      7.867476
  C      -7.274143      2.263418      7.730794
  O      -8.284095      1.615431      7.519337
  C      -7.250174      3.762271      7.921830
  N      -6.285116      4.232012      8.701987
  C      -6.235218      5.575752      8.880510
  N      -6.996365      6.486178      8.305921
  C      -7.994733      6.021333      7.499854
  C      -8.835151      6.959344      6.850779
  C      -9.866923      6.520486      6.050243
  C     -10.102441      5.135206      5.878125
  C      -9.298946      4.197505      6.491415
  C      -8.212541      4.614979      7.303272
  H      -2.810339      4.821596      7.668114
  H      -4.141601      3.718969      7.331466
  H      -3.397822      5.847898      5.274181
  H      -4.427221      6.213070      6.707747
  H      -8.418049      1.475408      4.815843
  H      -9.411094      2.525586      0.457848
  H      -8.522680      4.175626     -1.199729
  H      -6.653399      5.692993     -0.573173
  H      -5.630542      5.571096      1.673664
  H      -2.491967     -0.630299      3.569007
  H      -1.032838     -1.385486      4.219579
  H      -0.639312     -1.266703      1.898180
  H       0.296982      0.127604      2.531889
  H      -5.915407      2.236744     -0.251098
  H      -3.508730      4.047347     -3.735818
  H      -1.157518      3.798364     -4.543251
  H       0.426244      2.288701     -3.370325
  H      -0.299324      1.000482     -1.380198
  H      -5.278197      0.154028      5.792941
  H      -4.838327     -1.230629      6.823697
  H      -6.897921     -0.149071      7.619093
  H      -5.614400      0.001000      8.855114
  H      -5.457060      5.934135      9.561661
  H      -8.641372      8.019753      7.015779
  H     -10.516142      7.242601      5.552431
  H     -10.933409      4.805285      5.252728
  H      -9.493427      3.135333      6.369367
  N      -3.938483      1.561806      4.195706
  N      -3.696336      2.023485      2.849578
  H      -3.841561      3.061080      2.782979
  H      -2.726800      1.814835      2.538407
  H      -4.305063      1.560336      2.142965
100
Coordinates from ORCA-job orca E -6707.590564715762
  N      -2.437202      3.491899      6.105007
  Mo     -2.746427      1.596959      5.609947
  N      -3.578726      0.473719      6.958336
  C      -2.826678     -0.013850      8.117250
  C      -1.771411      1.004804      8.515459
  N      -1.047606      1.495066      7.318799
  C      -0.504882      2.872462      7.480280
  C      -1.018652      3.757804      6.332754
  C      -0.052044      0.536854      6.799955
  C       0.081125      0.739912      5.293691
  N      -1.255831      0.684428      4.679588
  H      -0.452298      3.556351      5.410115
  H      -0.846657      4.822203      6.570273
  H       0.596139      2.857068      7.521938
  H      -0.865326      3.274505      8.436909
  H       0.733651     -0.043823      4.876277
  H       0.574515      1.702341      5.081080
  H      -0.425824     -0.480371      6.985377
  H       0.917736      0.646338      7.317112
  H      -3.491966     -0.171539      8.982246
  H      -2.376650     -0.998777      7.887203
  H      -2.280243      1.871502      8.957736
  H      -1.081593      0.587314      9.270934
  C      -3.366385      4.326002      6.868396
  C      -4.059649      5.427886      6.073376
  O      -5.268699      4.896997      5.440638
  C      -5.197570      4.533855      4.167612
  O      -4.228386      4.717018      3.431599
  C      -6.439220      3.816920      3.698757
  N      -6.971579      2.956137      4.551500
  C      -7.995069      2.189794      4.091122
  N      -8.525296      2.213029      2.883504
  C      -8.016325      3.127912      2.008160
  C      -8.573015      3.218876      0.708034
  C      -8.082861      4.144409     -0.188762
  C      -7.024937      5.012469      0.176836
  C      -6.454308      4.942298      1.430120
  C      -6.930482      3.993616      2.372012
  C      -1.422625     -0.443353      3.761119
  C      -0.708145     -0.291617      2.421989
  O      -1.442351      0.637476      1.554551
  C      -2.003752      0.107871      0.437169
  O      -1.887391     -1.035593      0.057531
  C      -2.836322      1.122478     -0.314964
  N      -4.074637      1.310114      0.123485
  C      -4.857737      2.152954     -0.613670
  N      -4.509778      2.817403     -1.692985
  C      -3.227692      2.648584     -2.136762
  C      -2.787741      3.344857     -3.286518
  C      -1.498889      3.165242     -3.742408
  C      -0.601524      2.293945     -3.076650
  C      -0.995740      1.605448     -1.949137
  C      -2.315875      1.772416     -1.460843
  C      -4.902539     -0.125179      6.779000
  C      -5.920475      0.289244      7.833237
  O      -6.041249      1.732347      7.867227
  C      -7.280287      2.251853      7.731043
  O      -8.287259      1.601995      7.511771
  C      -7.260780      3.749701      7.928005
  N      -6.297701      4.219550      8.710602
  C      -6.252791      5.562607      8.895406
  N      -7.017807      6.472792      8.325540
  C      -8.014144      6.007928      7.516857
  C      -8.858760      6.945919      6.873180
  C      -9.888595      6.506963      6.070199
  C     -10.117648      5.121574      5.890134
  C      -9.309970      4.184054      6.497933
  C      -8.225752      4.601751      7.312636
  H      -2.819659      4.817113      7.694092
  H      -4.147907      3.713926      7.348287
  H      -3.403225      5.858615      5.307348
  H      -4.437005      6.211856      6.741151
  H      -8.406133      1.473852      4.808557
  H      -9.393783      2.546874      0.454852
  H      -8.511231      4.213876     -1.189627
  H      -6.655092      5.740146     -0.546419
  H      -5.637098      5.608961      1.701170
  H      -2.492791     -0.613704      3.575881
  H      -1.033816     -1.369650      4.226238
  H      -0.641669     -1.256550      1.905379
  H       0.295192      0.139127      2.534160
  H      -5.880602      2.281040     -0.249519
  H      -3.491188      4.007999     -3.790965
  H      -1.159713      3.697144     -4.632689
  H       0.409096      2.168018     -3.466757
  H      -0.306611      0.928142     -1.441610
  H      -5.273813      0.160658      5.785760
  H      -4.832769     -1.229977      6.807705
  H      -6.896594     -0.158672      7.605071
  H      -5.617500     -0.011562      8.846367
  H      -5.476497      5.920572      9.578989
  H      -8.669845      8.006258      7.044084
  H     -10.541071      7.228978      5.576538
  H     -10.947230      4.791734      5.262824
  H      -9.499202      3.121666      6.370164
  N      -3.935612      1.577783      4.195950
  N      -3.691426      2.053083      2.855572
  H      -3.844469      3.090141      2.796057
  H      -2.718413      1.857433      2.545871
  H      -4.291509      1.592617      2.138482
100
Coordinates from ORCA-job orca E -6707.590853835590
  N      -2.446553      3.497888      6.120975
  Mo     -2.747505      1.605974      5.612925
  N      -3.579007      0.474732      6.954246
  C      -2.830625     -0.016204      8.114007
  C      -1.778488      1.002808      8.520119
  N      -1.052445      1.499794      7.327973
  C      -0.514239      2.877971      7.496418
  C      -1.029521      3.767663      6.352603
  C      -0.053278      0.546543      6.807180
  C       0.083727      0.758262      5.302020
  N      -1.250792      0.702367      4.684299
  H      -0.460738      3.572472      5.430105
  H      -0.861668      4.831487      6.595770
  H       0.586844      2.866353      7.538612
  H      -0.876517      3.274897      8.454541
  H       0.740059     -0.021300      4.882657
  H       0.575626      1.722969      5.096743
  H      -0.425547     -0.472333      6.986523
  H       0.914826      0.655813      7.327561
  H      -3.498717     -0.178536      8.975944
  H      -2.377555     -0.999261      7.881934
  H      -2.290352      1.866437      8.964849
  H      -1.090338      0.583257      9.275991
  C      -3.381098      4.325284      6.884698
  C      -4.071014      5.432872      6.094843
  O      -5.277946      4.907566      5.453225
  C      -5.200791      4.551154      4.179044
  O      -4.228653      4.739104      3.447824
  C      -6.439211      3.834704      3.701043
  N      -6.975593      2.971950      4.549297
  C      -7.996731      2.206822      4.081720
  N      -8.520332      2.232189      2.871293
  C      -8.006182      3.147989      2.000164
  C      -8.554855      3.240950      0.696803
  C      -8.058766      4.167353     -0.195891
  C      -7.001928      5.033851      0.176877
  C      -6.439072      4.961827      1.433651
  C      -6.922311      4.012940      2.371687
  C      -1.416521     -0.426650      3.767065
  C      -0.703774     -0.274267      2.427818
  O      -1.444724      0.650451      1.560792
  C      -1.978464      0.123786      0.429746
  O      -1.835737     -1.013267      0.038806
  C      -2.815860      1.131265     -0.325347
  N      -4.041890      1.347034      0.133165
  C      -4.826825      2.187487     -0.604866
  N      -4.488529      2.826785     -1.701924
  C      -3.218065      2.627421     -2.167688
  C      -2.790760      3.296320     -3.338378
  C      -1.515325      3.084834     -3.819395
  C      -0.621190      2.206924     -3.158559
  C      -1.003203      1.545440     -2.010973
  C      -2.308084      1.746511     -1.495875
  C      -4.901236     -0.126465      6.768092
  C      -5.922201      0.276516      7.823535
  O      -6.045993      1.719120      7.870370
  C      -7.285995      2.237430      7.737352
  O      -8.291030      1.588007      7.508415
  C      -7.268755      3.734048      7.942680
  N      -6.307081      4.201169      8.728558
  C      -6.265281      5.543174      8.922165
  N      -7.032536      6.455222      8.358373
  C      -8.027442      5.993076      7.546086
  C      -8.874526      6.933422      6.909204
  C      -9.902930      6.497632      6.102677
  C     -10.127746      5.112844      5.912183
  C      -9.317665      4.173308      6.513450
  C      -8.235113      4.587904      7.331843
  H      -2.839533      4.811806      7.716639
  H      -4.163546      3.708183      7.356510
  H      -3.412069      5.869227      5.334242
  H      -4.450779      6.211541      6.767399
  H      -8.412131      1.490268      4.795970
  H      -9.374716      2.570197      0.437531
  H      -8.480541      4.238878     -1.199421
  H      -6.626792      5.761647     -0.543478
  H      -5.623355      5.628186      1.709804
  H      -2.486473     -0.598091      3.582062
  H      -1.026486     -1.352669      4.231661
  H      -0.633404     -1.239223      1.911894
  H       0.297530      0.161826      2.538012
  H      -5.841351      2.334087     -0.223798
  H      -3.492193      3.964250     -3.839188
  H      -1.185866      3.595304     -4.725651
  H       0.377741      2.053833     -3.568769
  H      -0.317215      0.861346     -1.508579
  H      -5.271396      0.166565      5.776458
  H      -4.828799     -1.231276      6.787962
  H      -6.896765     -0.171380      7.588546
  H      -5.621846     -0.032178      8.835029
  H      -5.489589      5.898463      9.607890
  H      -8.688497      7.992974      7.087972
  H     -10.557486      7.221284      5.614229
  H     -10.956176      4.785522      5.282028
  H      -9.503750      3.111322      6.378253
  N      -3.928622      1.588278      4.193007
  N      -3.680529      2.078277      2.858222
  H      -3.840541      3.114776      2.808152
  H      -2.705550      1.892724      2.550670
  H      -4.273282      1.620171      2.133912
100
Coordinates from ORCA-job orca E -6707.591161064488
  N      -2.449951      3.503494      6.137487
  Mo     -2.745014      1.615780      5.612906
  N      -3.579496      0.479036      6.946839
  C      -2.836546     -0.018004      8.107691
  C      -1.784683      0.997978      8.523746
  N      -1.054707      1.502717      7.337381
  C      -0.520769      2.881198      7.514485
  C      -1.035123      3.776905      6.374827
  C      -0.052035      0.554344      6.814735
  C       0.090331      0.775171      5.311048
  N      -1.240223      0.720318      4.687312
  H      -0.462151      3.589885      5.453306
  H      -0.873304      4.839736      6.626431
  H       0.580337      2.872837      7.558852
  H      -0.885810      3.272127      8.474049
  H       0.751137      0.000064      4.890175
  H       0.580840      1.742322      5.114263
  H      -0.422917     -0.466109      6.987823
  H       0.914310      0.663263      7.338628
  H      -3.508351     -0.184085      8.966023
  H      -2.383354     -1.000186      7.872180
  H      -2.297182      1.858449      8.973714
  H      -1.098841      0.572500      9.278378
  C      -3.390878      4.320114      6.903602
  C      -4.076653      5.436780      6.122598
  O      -5.282321      4.918891      5.472151
  C      -5.199955      4.568179      4.197089
  O      -4.224871      4.760338      3.470404
  C      -6.433709      3.848903      3.712577
  N      -6.967971      2.979494      4.555739
  C      -7.986239      2.214790      4.082083
  N      -8.509466      2.245315      2.871704
  C      -7.996280      3.165791      2.005310
  C      -8.543459      3.263659      0.701618
  C      -8.047166      4.194889     -0.185742
  C      -6.991933      5.061064      0.192179
  C      -6.430820      4.985008      1.449525
  C      -6.914506      4.031218      2.382743
  C      -1.407072     -0.410741      3.772135
  C      -0.697411     -0.258631      2.431585
  O      -1.447983      0.658795      1.563961
  C      -1.955027      0.134293      0.420422
  O      -1.784910     -0.997320      0.022455
  C      -2.796177      1.133483     -0.341369
  N      -4.011167      1.375102      0.132053
  C      -4.800307      2.207266     -0.611226
  N      -4.471339      2.821984     -1.725180
  C      -3.210691      2.597633     -2.207129
  C      -2.793569      3.242377     -3.394795
  C      -1.528079      3.006578     -3.892769
  C      -0.637301      2.124689     -3.232835
  C      -1.011288      1.484667     -2.070428
  C      -2.302714      1.714410     -1.536534
  C      -4.900412     -0.122723      6.751623
  C      -5.928022      0.270460      7.803719
  O      -6.053862      1.712421      7.860635
  C      -7.295003      2.228716      7.733209
  O      -8.298502      1.579390      7.497685
  C      -7.281333      3.723955      7.948987
  N      -6.321498      4.187827      8.738934
  C      -6.284099      5.528611      8.943058
  N      -7.055001      6.442443      8.387054
  C      -8.047836      5.983033      7.570357
  C      -8.898554      6.925277      6.941321
  C      -9.924684      6.492393      6.130316
  C     -10.143407      5.108252      5.927157
  C      -9.329738      4.167130      6.521001
  C      -8.249812      4.579148      7.343852
  H      -2.857277      4.797934      7.746043
  H      -4.174595      3.695302      7.362445
  H      -3.416601      5.881373      5.367861
  H      -4.458308      6.207972      6.802745
  H      -8.400936      1.493674      4.792211
  H      -9.361799      2.592831      0.437872
  H      -8.467261      4.271196     -1.189667
  H      -6.616764      5.792035     -0.524923
  H      -5.616919      5.652087      1.728986
  H      -2.477225     -0.581983      3.588948
  H      -1.016951     -1.336622      4.236717
  H      -0.622218     -1.224572      1.918098
  H       0.301101      0.185090      2.536555
  H      -5.807745      2.368930     -0.216828
  H      -3.493195      3.912417     -3.895263
  H      -1.206178      3.499613     -4.811187
  H       0.353097      1.950661     -3.655348
  H      -0.329623      0.795052     -1.570163
  H      -5.266539      0.177182      5.760362
  H      -4.826740     -1.227520      6.763668
  H      -6.900704     -0.176672      7.559437
  H      -5.634373     -0.046127      8.814889
  H      -5.509724      5.881253      9.631661
  H      -8.716538      7.983907      7.129523
  H     -10.582416      7.217359      5.648154
  H     -10.969824      4.783192      5.293230
  H      -9.511373      3.105495      6.377044
  N      -3.912811      1.601555      4.182521
  N      -3.658494      2.109995      2.855872
  H      -3.827140      3.145488      2.821798
  H      -2.680656      1.932461      2.553677
  H      -4.242519      1.653559      2.122766
100
Coordinates from ORCA-job orca E -6707.591448657421
  N      -2.454232      3.511929      6.157342
  Mo     -2.744562      1.627314      5.618011
  N      -3.581998      0.482252      6.942568
  C      -2.842409     -0.020792      8.103240
  C      -1.791322      0.992392      8.528470
  N      -1.058382      1.505109      7.347531
  C      -0.526847      2.883211      7.533845
  C      -1.040558      3.786344      6.399602
  C      -0.053390      0.561160      6.821597
  C       0.093722      0.792688      5.320075
  N      -1.234028      0.740343      4.690846
  H      -0.464560      3.607848      5.478335
  H      -0.882281      4.847574      6.660167
  H       0.574271      2.876160      7.579190
  H      -0.892804      3.267412      8.495807
  H       0.757853      0.022071      4.896145
  H       0.582787      1.762320      5.131963
  H      -0.423912     -0.460746      6.986958
  H       0.911279      0.667443      7.349252
  H      -3.516704     -0.191357      8.958713
  H      -2.389022     -1.001831      7.863401
  H      -2.304435      1.849628      8.983849
  H      -1.107150      0.561081      9.281315
  C      -3.399267      4.320409      6.926250
  C      -4.084650      5.442205      6.151678
  O      -5.287531      4.926205      5.493625
  C      -5.197889      4.582018      4.217469
  O      -4.219751      4.782578      3.497016
  C      -6.426356      3.861218      3.722272
  N      -6.963216      2.985829      4.557938
  C      -7.976700      2.221367      4.074075
  N      -8.494136      2.257582      2.861358
  C      -7.978100      3.183365      2.002305
  C      -8.518349      3.287052      0.696270
  C      -8.017954      4.223394     -0.183256
  C      -6.965803      5.088825      0.204505
  C      -6.411625      5.007591      1.464714
  C      -6.899815      4.048668      2.390411
  C      -1.400064     -0.391779      3.775752
  C      -0.692561     -0.238881      2.434110
  O      -1.450316      0.671725      1.565723
  C      -1.933307      0.150020      0.410460
  O      -1.737724     -0.974970      0.004971
  C      -2.779632      1.141309     -0.355905
  N      -3.981879      1.409446      0.135077
  C      -4.776114      2.233744     -0.611645
  N      -4.460834      2.820108     -1.744606
  C      -3.212982      2.568428     -2.246198
  C      -2.810944      3.183505     -3.454854
  C      -1.557543      2.923259     -3.971999
  C      -0.664815      2.044289     -3.310950
  C      -1.026481      1.430852     -2.130671
  C      -2.303661      1.686724     -1.575508
  C      -4.900992     -0.120726      6.740393
  C      -5.932851      0.262150      7.791945
  O      -6.061758      1.703220      7.859381
  C      -7.303907      2.216769      7.735684
  O      -8.306185      1.565894      7.498935
  C      -7.294763      3.710997      7.959892
  N      -6.338067      4.173050      8.754532
  C      -6.304679      5.513012      8.965631
  N      -7.076757      6.427659      8.412695
  C      -8.066182      5.969770      7.590866
  C      -8.917546      6.913001      6.964254
  C      -9.939702      6.481797      6.147377
  C     -10.153878      5.098143      5.935771
  C      -9.339595      4.156094      6.527459
  C      -8.263769      4.566665      7.356348
  H      -2.871082      4.792043      7.775724
  H      -4.183664      3.690067      7.376004
  H      -3.424734      5.894338      5.401342
  H      -4.469825      6.207324      6.836645
  H      -8.393959      1.495512      4.777964
  H      -9.333793      2.616224      0.423807
  H      -8.432786      4.304860     -1.189002
  H      -6.587605      5.823533     -0.507227
  H      -5.599706      5.673825      1.751692
  H      -2.470256     -0.564253      3.594299
  H      -1.008870     -1.317001      4.240625
  H      -0.612418     -1.205629      1.922907
  H       0.303378      0.211230      2.536626
  H      -5.772998      2.416866     -0.200611
  H      -3.512021      3.851951     -3.955431
  H      -1.247872      3.394469     -4.905907
  H       0.316469      1.850609     -3.746016
  H      -0.344454      0.742443     -1.629612
  H      -5.265209      0.184867      5.750066
  H      -4.825401     -1.225479      6.745625
  H      -6.903903     -0.184924      7.541120
  H      -5.642298     -0.062616      8.801519
  H      -5.533046      5.863999      9.658111
  H      -8.738739      7.971018      7.158943
  H     -10.598078      7.207318      5.666926
  H     -10.977029      4.774338      5.297009
  H      -9.518287      3.094817      6.377110
  N      -3.900115      1.617503      4.179481
  N      -3.637321      2.142215      2.860262
  H      -3.812610      3.176712      2.841081
  H      -2.656595      1.970711      2.565809
  H      -4.211631      1.687187      2.118146
100
Coordinates from ORCA-job orca E -6707.591739507136
  N      -2.457540      3.519119      6.172283
  Mo     -2.743734      1.636519      5.618969
  N      -3.589774      0.484830      6.932543
  C      -2.854312     -0.024849      8.093519
  C      -1.804099      0.984732      8.529463
  N      -1.065443      1.504933      7.355425
  C      -0.535342      2.882246      7.551756
  C      -1.045105      3.792781      6.421766
  C      -0.057552      0.564604      6.828630
  C       0.097126      0.805702      5.329716
  N      -1.227219      0.756050      4.692173
  H      -0.464830      3.622031      5.501802
  H      -0.889395      4.852226      6.691174
  H       0.565689      2.874994      7.600185
  H      -0.903250      3.259848      8.515612
  H       0.764640      0.039079      4.903951
  H       0.584722      1.777661      5.149894
  H      -0.428158     -0.458598      6.986017
  H       0.904341      0.667862      7.362071
  H      -3.531807     -0.199949      8.945536
  H      -2.401418     -1.004981      7.849162
  H      -2.317866      1.839080      8.989482
  H      -1.123134      0.546825      9.281433
  C      -3.405351      4.319248      6.946212
  C      -4.090856      5.446899      6.179868
  O      -5.291146      4.930393      5.516428
  C      -5.198260      4.591881      4.239046
  O      -4.220385      4.801684      3.520830
  C      -6.421463      3.864911      3.740768
  N      -6.953789      2.983632      4.573492
  C      -7.962935      2.215599      4.086865
  N      -8.481184      2.253387      2.874501
  C      -7.970230      3.184858      2.018311
  C      -8.511724      3.290587      0.713079
  C      -8.015988      4.232847     -0.162626
  C      -6.968077      5.102049      0.227619
  C      -6.412564      5.018939      1.487223
  C      -6.896039      4.054125      2.409425
  C      -1.389645     -0.376735      3.776156
  C      -0.681692     -0.221779      2.434966
  O      -1.445514      0.681316      1.565999
  C      -1.902383      0.162435      0.398023
  O      -1.678848     -0.955057     -0.014054
  C      -2.754076      1.146964     -0.369886
  N      -3.944085      1.436240      0.139136
  C      -4.745986      2.252793     -0.607648
  N      -4.447383      2.816317     -1.756644
  C      -3.212016      2.544643     -2.277278
  C      -2.826381      3.136794     -3.502755
  C      -1.584160      2.859672     -4.037519
  C      -0.686130      1.984406     -3.378395
  C      -1.034215      1.389689     -2.184628
  C      -2.298770      1.664514     -1.609544
  C      -4.906650     -0.118062      6.721672
  C      -5.943781      0.257863      7.770731
  O      -6.073333      1.698217      7.847080
  C      -7.314987      2.212169      7.727024
  O      -8.318311      1.562872      7.489780
  C      -7.306174      3.705270      7.960331
  N      -6.353214      4.161599      8.762560
  C      -6.320894      5.500360      8.982482
  N      -7.089303      6.418662      8.430670
  C      -8.074634      5.966254      7.600849
  C      -8.921962      6.913429      6.974777
  C      -9.939836      6.487401      6.149887
  C     -10.154072      5.105101      5.929572
  C      -9.343674      4.159222      6.520796
  C      -8.272052      4.564727      7.357429
  H      -2.881258      4.781804      7.803161
  H      -4.191755      3.684254      7.385780
  H      -3.432211      5.907582      5.433685
  H      -4.479565      6.205739      6.869733
  H      -8.376522      1.484554      4.787650
  H      -9.323473      2.616536      0.437641
  H      -8.432099      4.316074     -1.167728
  H      -6.594323      5.841407     -0.481730
  H      -5.602841      5.686827      1.776462
  H      -2.459469     -0.550967      3.594408
  H      -0.997666     -1.300558      4.242862
  H      -0.594953     -1.189418      1.926362
  H       0.311498      0.234455      2.538013
  H      -5.734580      2.449672     -0.183796
  H      -3.531651      3.802938     -4.000576
  H      -1.287782      3.314784     -4.983660
  H       0.287398      1.777610     -3.824540
  H      -0.348625      0.704228     -1.684737
  H      -5.266785      0.191698      5.731043
  H      -4.831082     -1.222923      6.722427
  H      -6.913821     -0.187806      7.513682
  H      -5.656995     -0.074778      8.778902
  H      -5.552458      5.846663      9.680809
  H      -8.743275      7.970166      7.176480
  H     -10.595309      7.215722      5.669673
  H     -10.973815      4.785275      5.284496
  H      -9.523259      3.099020      6.363431
  N      -3.883633      1.631416      4.169146
  N      -3.606926      2.177675      2.859794
  H      -3.790435      3.210644      2.859215
  H      -2.622092      2.012203      2.576556
  H      -4.168393      1.725639      2.104994
100
Coordinates from ORCA-job orca E -6707.592021779303
  N      -2.463527      3.530745      6.191769
  Mo     -2.744637      1.650431      5.624063
  N      -3.595479      0.487149      6.924688
  C      -2.861855     -0.030243      8.083725
  C      -1.814519      0.977083      8.530321
  N      -1.072050      1.507356      7.363175
  C      -0.543878      2.883643      7.572515
  C      -1.051684      3.803264      6.448797
  C      -0.061345      0.572142      6.832806
  C       0.098338      0.824992      5.337023
  N      -1.223909      0.777677      4.693681
  H      -0.468299      3.641041      5.529274
  H      -0.897464      4.860436      6.727699
  H       0.556999      2.876142      7.623689
  H      -0.913908      3.252501      8.538938
  H       0.768901      0.063625      4.906855
  H       0.583514      1.799801      5.166381
  H      -0.431202     -0.452776      6.980930
  H       0.898409      0.671770      7.370788
  H      -3.541598     -0.212222      8.932521
  H      -2.407771     -1.008239      7.833245
  H      -2.330530      1.827400      8.995326
  H      -1.135675      0.533665      9.281046
  C      -3.414283      4.322997      6.970903
  C      -4.104392      5.452390      6.210990
  O      -5.300392      4.933593      5.541019
  C      -5.201335      4.605195      4.261047
  O      -4.222448      4.827738      3.548359
  C      -6.418285      3.874645      3.752168
  N      -6.953867      2.989412      4.578324
  C      -7.955188      2.217118      4.082061
  N      -8.462662      2.254432      2.865108
  C      -7.949112      3.190674      2.015460
  C      -8.479423      3.295445      0.705606
  C      -7.981402      4.242095     -0.164124
  C      -6.942752      5.117157      0.237327
  C      -6.398154      5.034984      1.501790
  C      -6.883465      4.065125      2.417668
  C      -1.382892     -0.356045      3.778001
  C      -0.675671     -0.202108      2.436345
  O      -1.442945      0.695537      1.566787
  C      -1.880658      0.179248      0.390506
  O      -1.634965     -0.931565     -0.026882
  C      -2.738266      1.155697     -0.381165
  N      -3.915186      1.470498      0.144446
  C      -4.723561      2.276919     -0.605859
  N      -4.442663      2.812112     -1.772687
  C      -3.220783      2.517422     -2.310872
  C      -2.851705      3.080771     -3.554959
  C      -1.622646      2.781423     -4.106038
  C      -0.719729      1.911378     -3.446266
  C      -1.052523      1.343095     -2.235448
  C      -2.303412      1.641535     -1.641816
  C      -4.909818     -0.116641      6.704460
  C      -5.950619      0.248428      7.754190
  O      -6.081753      1.687764      7.842281
  C      -7.323546      2.201333      7.724175
  O      -8.326860      1.552010      7.486464
  C      -7.317061      3.692355      7.969666
  N      -6.368283      4.142895      8.780084
  C      -6.337658      5.480027      9.009596
  N      -7.102789      6.402083      8.459484
  C      -8.083414      5.955736      7.621129
  C      -8.926502      6.907105      6.995563
  C      -9.939335      6.486390      6.161809
  C     -10.152862      5.105690      5.931723
  C      -9.346521      4.155633      6.521993
  C      -8.279867      4.555777      7.367672
  H      -2.892489      4.780454      7.831711
  H      -4.200179      3.683242      7.404933
  H      -3.446161      5.921536      5.469722
  H      -4.498713      6.204936      6.904495
  H      -8.371691      1.482834      4.777702
  H      -9.284406      2.616800      0.421734
  H      -8.389357      4.323864     -1.172667
  H      -6.567773      5.860844     -0.466889
  H      -5.595012      5.706681      1.800493
  H      -2.452350     -0.532889      3.596362
  H      -0.988728     -1.277661      4.247195
  H      -0.585833     -1.170994      1.930541
  H       0.316947      0.255819      2.539199
  H      -5.700744      2.498092     -0.168177
  H      -3.560304      3.743647     -4.052516
  H      -1.339796      3.215276     -5.066323
  H       0.243847      1.686882     -3.905013
  H      -0.363384      0.662678     -1.733928
  H      -5.268096      0.199734      5.715285
  H      -4.831654     -1.221357      6.696926
  H      -6.919423     -0.196276      7.490997
  H      -5.665553     -0.093652      8.759665
  H      -5.573279      5.821546      9.714614
  H      -8.748785      7.962519      7.204905
  H     -10.591340      7.217955      5.681765
  H     -10.968739      4.789935      5.279777
  H      -9.525937      3.096631      6.356309
  N      -3.872566      1.654602      4.165180
  N      -3.580586      2.216964      2.865299
  H      -3.770775      3.248458      2.876963
  H      -2.591070      2.059383      2.594763
  H      -4.127019      1.767838      2.096447
100
Coordinates from ORCA-job orca E -6707.592310428317
  N      -2.466572      3.542240      6.206729
  Mo     -2.745394      1.663267      5.627621
  N      -3.605456      0.490326      6.914311
  C      -2.874281     -0.034391      8.071949
  C      -1.829953      0.970656      8.528894
  N      -1.081466      1.507810      7.368585
  C      -0.551712      2.882059      7.590002
  C      -1.054830      3.810206      6.471373
  C      -0.069424      0.574687      6.836861
  C       0.097108      0.837631      5.343871
  N      -1.223603      0.794355      4.693977
  H      -0.468911      3.653283      5.552492
  H      -0.898714      4.865146      6.757571
  H       0.548954      2.871331      7.644218
  H      -0.923102      3.243878      8.558604
  H       0.768879      0.079659      4.909971
  H       0.581626      1.814006      5.181206
  H      -0.440939     -0.450967      6.976272
  H       0.887585      0.668777      7.380686
  H      -3.556598     -0.222478      8.917416
  H      -2.419268     -1.010613      7.816531
  H      -2.348287      1.818495      8.995882
  H      -1.154877      0.522893      9.280490
  C      -3.417296      4.328691      6.992935
  C      -4.114418      5.456955      6.238444
  O      -5.305141      4.930833      5.565470
  C      -5.203599      4.613287      4.282421
  O      -4.228653      4.853805      3.570579
  C      -6.413706      3.873581      3.769752
  N      -6.943295      2.981549      4.591931
  C      -7.937711      2.202133      4.092879
  N      -8.442372      2.237748      2.874600
  C      -7.936092      3.181943      2.029170
  C      -8.465770      3.286072      0.718974
  C      -7.978254      4.242383     -0.146337
  C      -6.950825      5.128097      0.260548
  C      -6.406064      5.045654      1.524923
  C      -6.880312      4.065837      2.435958
  C      -1.380006     -0.340179      3.778564
  C      -0.669060     -0.189759      2.438418
  O      -1.432882      0.705280      1.565801
  C      -1.848788      0.193520      0.379321
  O      -1.582003     -0.909565     -0.045168
  C      -2.711671      1.165362     -0.390148
  N      -3.875272      1.501143      0.154076
  C      -4.691221      2.300675     -0.593652
  N      -4.431273      2.811996     -1.776191
  C      -3.223372      2.498758     -2.333250
  C      -2.873897      3.038449     -3.593660
  C      -1.658282      2.721842     -4.162402
  C      -0.747376      1.857356     -3.505775
  C      -1.061127      1.310622     -2.280177
  C      -2.299328      1.626590     -1.666813
  C      -4.916966     -0.113954      6.682976
  C      -5.961807      0.241535      7.732856
  O      -6.093653      1.679727      7.833150
  C      -7.335121      2.194766      7.718595
  O      -8.339413      1.547704      7.478601
  C      -7.327070      3.684349      7.971256
  N      -6.382751      4.128575      8.790460
  C      -6.350161      5.464609      9.025726
  N      -7.107942      6.391094      8.472961
  C      -8.083342      5.951594      7.625207
  C      -8.917728      6.907967      6.995539
  C      -9.925212      6.493234      6.152357
  C     -10.142030      5.114200      5.916449
  C      -9.343930      4.159167      6.510067
  C      -8.282705      4.553064      7.365482
  H      -2.893785      4.782787      7.854017
  H      -4.201921      3.685973      7.425609
  H      -3.458084      5.934073      5.500565
  H      -4.514983      6.204086      6.934234
  H      -8.350134      1.462980      4.785720
  H      -9.262881      2.599572      0.431811
  H      -8.386634      4.322427     -1.154818
  H      -6.584455      5.880258     -0.439207
  H      -5.610786      5.724290      1.828837
  H      -2.449074     -0.516607      3.593769
  H      -0.987203     -1.260261      4.251811
  H      -0.578405     -1.160668      1.936548
  H       0.324955      0.264754      2.545140
  H      -5.658117      2.540749     -0.143676
  H      -3.588460      3.698070     -4.087076
  H      -1.390767      3.138401     -5.134795
  H       0.206111      1.619644     -3.978502
  H      -0.364731      0.636455     -1.780677
  H      -5.271909      0.208781      5.694680
  H      -4.837089     -1.218524      6.667792
  H      -6.929649     -0.201645      7.463718
  H      -5.678154     -0.109762      8.735496
  H      -5.591179      5.800872      9.739031
  H      -8.738318      7.962175      7.209440
  H     -10.570335      7.228792      5.669090
  H     -10.953919      4.802958      5.257371
  H      -9.526357      3.101586      6.338872
  N      -3.862191      1.677045      4.159540
  N      -3.549591      2.256051      2.870340
  H      -3.747229      3.285849      2.890313
  H      -2.554674      2.106491      2.616502
  H      -4.077690      1.811014      2.084932
100
Coordinates from ORCA-job orca E -6707.592602581199
  N      -2.471779      3.555152      6.224236
  Mo     -2.744878      1.679588      5.629521
  N      -3.611810      0.493889      6.899869
  C      -2.885619     -0.039967      8.056510
  C      -1.845888      0.963138      8.527058
  N      -1.091081      1.510647      7.375459
  C      -0.563056      2.883174      7.612659
  C      -1.061348      3.820832      6.499739
  C      -0.075454      0.582384      6.841705
  C       0.098380      0.857581      5.351850
  N      -1.219248      0.816920      4.694892
  H      -0.470852      3.671084      5.582529
  H      -0.906319      4.873369      6.795078
  H       0.537257      2.871825      7.672341
  H      -0.939415      3.235964      8.582689
  H       0.773696      0.104874      4.914393
  H       0.581484      1.836246      5.199841
  H      -0.446867     -0.444634      6.971181
  H       0.878509      0.672596      7.391463
  H      -3.572219     -0.235743      8.896798
  H      -2.427994     -1.013505      7.795743
  H      -2.368417      1.806795      8.996941
  H      -1.174877      0.510840      9.279613
  C      -3.427045      4.332927      7.014566
  C      -4.130535      5.459909      6.264785
  O      -5.314728      4.928734      5.585193
  C      -5.208631      4.623511      4.299102
  O      -4.235869      4.880617      3.590317
  C      -6.412015      3.877281      3.779041
  N      -6.942011      2.982660      4.597625
  C      -7.929514      2.197700      4.093285
  N      -8.425513      2.229391      2.871344
  C      -7.919248      3.176683      2.029470
  C      -8.440834      3.276705      0.715565
  C      -7.955285      4.236440     -0.147215
  C      -6.937635      5.130174      0.266892
  C      -6.400661      5.051572      1.534781
  C      -6.872446      4.067886      2.442861
  C      -1.374045     -0.319319      3.781779
  C      -0.661203     -0.173657      2.442237
  O      -1.423950      0.719060      1.567447
  C      -1.822839      0.210373      0.374970
  O      -1.537766     -0.887007     -0.053741
  C      -2.692132      1.175092     -0.396458
  N      -3.841979      1.534896      0.162960
  C      -4.665625      2.324805     -0.585089
  N      -4.426524      2.807680     -1.784174
  C      -3.232133      2.474028     -2.357175
  C      -2.902069      2.987167     -3.633896
  C      -1.699769      2.650644     -4.218263
  C      -0.783085      1.791681     -3.562148
  C      -1.077817      1.270328     -2.320864
  C      -2.302031      1.607232     -1.691002
  C      -4.920910     -0.109927      6.654204
  C      -5.970922      0.231478      7.703954
  O      -6.102174      1.668231      7.821763
  C      -7.343215      2.185845      7.710065
  O      -8.347730      1.542181      7.462218
  C      -7.333731      3.672429      7.977152
  N      -6.393951      4.106973      8.806884
  C      -6.361009      5.440422      9.055594
  N      -7.113284      6.373595      8.506376
  C      -8.083688      5.944344      7.647932
  C      -8.912075      6.908144      7.021615
  C      -9.914568      6.503011      6.167833
  C     -10.132260      5.126732      5.917628
  C      -9.340013      4.164594      6.507514
  C      -8.283853      4.548636      7.373676
  H      -2.905310      4.785811      7.877132
  H      -4.208570      3.684364      7.444700
  H      -3.474140      5.945659      5.532592
  H      -4.538742      6.200033      6.963676
  H      -8.343317      1.457714      4.784330
  H      -9.231229      2.584182      0.424264
  H      -8.357778      4.312382     -1.158330
  H      -6.572722      5.885840     -0.429837
  H      -5.613378      5.736732      1.844868
  H      -2.442729     -0.495500      3.594340
  H      -0.982074     -1.238231      4.258006
  H      -0.570495     -1.146276      1.943551
  H       0.334173      0.278215      2.549342
  H      -5.622272      2.583655     -0.123649
  H      -3.620916      3.643105     -4.125991
  H      -1.446769      3.047257     -5.202865
  H       0.159330      1.537927     -4.048486
  H      -0.376760      0.601208     -1.821635
  H      -5.271932      0.224365      5.668363
  H      -4.838431     -1.214000      6.625450
  H      -6.937424     -0.208126      7.424263
  H      -5.692102     -0.133031      8.703179
  H      -5.605339      5.768940      9.775967
  H      -8.732548      7.960065      7.246348
  H     -10.554713      7.244600      5.687166
  H     -10.940338      4.822903      5.250424
  H      -9.522961      3.108987      6.324943
  N      -3.849624      1.707520      4.150518
  N      -3.514320      2.300118      2.873570
  H      -3.719524      3.328128      2.899040
  H      -2.513677      2.160901      2.637700
  H      -4.023021      1.858834      2.071160
100
Coordinates from ORCA-job orca E -6707.592921950251
  N      -2.473795      3.569258      6.240411
  Mo     -2.743297      1.697605      5.632465
  N      -3.617066      0.499632      6.886024
  C      -2.897805     -0.043156      8.042461
  C      -1.863225      0.958697      8.526513
  N      -1.101442      1.514127      7.382852
  C      -0.572898      2.884229      7.635118
  C      -1.064676      3.830732      6.526808
  C      -0.083542      0.588440      6.848117
  C       0.098041      0.874730      5.360556
  N      -1.216571      0.838436      4.697383
  H      -0.469707      3.685349      5.611636
  H      -0.909265      4.881181      6.829203
  H       0.526992      2.870878      7.700612
  H      -0.954518      3.229563      8.605807
  H       0.775596      0.125658      4.920297
  H       0.581866      1.854291      5.218532
  H      -0.456734     -0.438996      6.968799
  H       0.867474      0.673976      7.403576
  H      -3.589376     -0.246053      8.877023
  H      -2.436883     -1.014053      7.777859
  H      -2.390824      1.799141      8.996433
  H      -1.197019      0.504118      9.281904
  C      -3.433817      4.339011      7.033945
  C      -4.148003      5.459054      6.285352
  O      -5.322311      4.916935      5.600040
  C      -5.213414      4.628419      4.309827
  O      -4.246387      4.908505      3.602198
  C      -6.409606      3.873765      3.784026
  N      -6.936625      2.973813      4.598227
  C      -7.919256      2.185348      4.090014
  N      -8.410750      2.216113      2.866184
  C      -7.908089      3.169074      2.029031
  C      -8.427301      3.269598      0.713898
  C      -7.950107      4.237526     -0.144447
  C      -6.942198      5.139427      0.276400
  C      -6.406519      5.059535      1.544626
  C      -6.869555      4.067259      2.447972
  C      -1.374135     -0.299996      3.787821
  C      -0.655540     -0.164575      2.450295
  O      -1.409208      0.731080      1.570369
  C      -1.791733      0.227202      0.372218
  O      -1.493520     -0.865399     -0.061133
  C      -2.666623      1.186197     -0.399767
  N      -3.802735      1.567656      0.174007
  C      -4.635099      2.348447     -0.571240
  N      -4.418233      2.803548     -1.785967
  C      -3.237417      2.450490     -2.374720
  C      -2.931193      2.937792     -3.667610
  C      -1.742138      2.584534     -4.268937
  C      -0.816929      1.734376     -3.613561
  C      -1.087535      1.238332     -2.356560
  C      -2.298659      1.591225     -1.709724
  C      -4.923728     -0.103659      6.623663
  C      -5.979635      0.220701      7.673054
  O      -6.110160      1.655355      7.812206
  C      -7.351150      2.176028      7.705563
  O      -8.355598      1.537012      7.446686
  C      -7.337989      3.660003      7.983176
  N      -6.402472      4.085590      8.822624
  C      -6.366913      5.416894      9.081334
  N      -7.112961      6.356496      8.534184
  C      -8.078584      5.936742      7.665754
  C      -8.899823      6.907589      7.040999
  C      -9.897225      6.511718      6.176829
  C     -10.116481      5.138038      5.914179
  C      -9.331113      4.169304      6.502148
  C      -8.280570      4.543748      7.379177
  H      -2.911919      4.798102      7.893033
  H      -4.207782      3.683826      7.468115
  H      -3.492829      5.954107      5.558271
  H      -4.566785      6.191524      6.986278
  H      -8.332718      1.443822      4.779535
  H      -9.211391      2.570997      0.419968
  H      -8.351401      4.313306     -1.155994
  H      -6.583122      5.902308     -0.415437
  H      -5.627384      5.751687      1.859573
  H      -2.442745     -0.470688      3.594937
  H      -0.988456     -1.219901      4.267322
  H      -0.570632     -1.139633      1.955214
  H       0.344121      0.277700      2.558794
  H      -5.579851      2.626346     -0.096450
  H      -3.656585      3.588148     -4.157378
  H      -1.505781      2.961321     -5.265352
  H       0.114101      1.467916     -4.114974
  H      -0.378835      0.576019     -1.859574
  H      -5.270001      0.245638      5.641306
  H      -4.837965     -1.206756      6.577644
  H      -6.944430     -0.214362      7.380431
  H      -5.707149     -0.159102      8.668304
  H      -5.614748      5.738472      9.808503
  H      -8.719653      7.957442      7.274640
  H     -10.531448      7.259406      5.697795
  H     -10.920518      4.841295      5.238909
  H      -9.514580      3.115447      6.310192
  N      -3.839164      1.741090      4.143933
  N      -3.476941      2.340278      2.878644
  H      -3.689652      3.366648      2.896741
  H      -2.469664      2.210975      2.668664
  H      -3.962156      1.902199      2.058474
100
Coordinates from ORCA-job orca E -6707.593215355267
  N      -2.474632      3.581164      6.257569
  Mo     -2.740711      1.715203      5.632302
  N      -3.620921      0.506000      6.869370
  C      -2.910362     -0.046591      8.026430
  C      -1.879098      0.951679      8.525542
  N      -1.110187      1.516399      7.391099
  C      -0.582993      2.884070      7.658605
  C      -1.067651      3.839918      6.555225
  C      -0.088957      0.594905      6.854756
  C       0.100747      0.893599      5.370190
  N      -1.209263      0.861800      4.699317
  H      -0.466655      3.701524      5.642897
  H      -0.914363      4.887915      6.867083
  H       0.516479      2.870400      7.730575
  H      -0.970804      3.221322      8.629689
  H       0.782294      0.149264      4.927887
  H       0.584636      1.874692      5.239818
  H      -0.462852     -0.433373      6.965527
  H       0.858944      0.676602      7.416038
  H      -3.607687     -0.256006      8.854515
  H      -2.447439     -1.015298      7.757329
  H      -2.410433      1.788220      8.998185
  H      -1.217673      0.491948      9.281947
  C      -3.440816      4.341826      7.052507
  C      -4.161121      5.458981      6.305927
  O      -5.327578      4.909758      5.613862
  C      -5.214991      4.635071      4.320962
  O      -4.251452      4.934019      3.616332
  C      -6.404240      3.874098      3.788410
  N      -6.931726      2.970859      4.599005
  C      -7.909825      2.180517      4.085560
  N      -8.396240      2.210982      2.859643
  C      -7.893178      3.166527      2.025988
  C      -8.407253      3.267073      0.708754
  C      -7.930600      4.238187     -0.146021
  C      -6.928151      5.143534      0.280648
  C      -6.397325      5.063900      1.550939
  C      -6.859700      4.068155      2.450873
  C      -1.368734     -0.278803      3.792765
  C      -0.646844     -0.149575      2.456421
  O      -1.398430      0.745203      1.573244
  C      -1.763629      0.244811      0.369358
  O      -1.448999     -0.842814     -0.067570
  C      -2.645359      1.196830     -0.404467
  N      -3.766999      1.600372      0.182305
  C      -4.609306      2.371362     -0.561504
  N      -4.413996      2.798104     -1.790245
  C      -3.247339      2.423688     -2.394026
  C      -2.964627      2.882856     -3.702533
  C      -1.788972      2.510989     -4.320071
  C      -0.856357      1.669317     -3.664393
  C      -1.105371      1.200068     -2.392824
  C      -2.301345      1.571668     -1.730354
  C      -4.925769     -0.095206      6.591921
  C      -5.988082      0.212900      7.639339
  O      -6.118590      1.645328      7.798812
  C      -7.359499      2.167383      7.696524
  O      -8.363554      1.531467      7.429124
  C      -7.345756      3.648393      7.988819
  N      -6.413831      4.064749      8.836821
  C      -6.378313      5.393405      9.108915
  N      -7.121966      6.339011      8.568740
  C      -8.083639      5.928555      7.691329
  C      -8.901770      6.906129      7.073152
  C      -9.894526      6.519870      6.199266
  C     -10.112088      5.149104      5.920020
  C      -9.329871      4.174124      6.501675
  C      -8.284368      4.538878      7.388748
  H      -2.922551      4.803573      7.912555
  H      -4.209497      3.679691      7.485388
  H      -3.507138      5.962750      5.583777
  H      -4.588584      6.184104      7.009304
  H      -8.324580      1.437898      4.773210
  H      -9.187229      2.565584      0.410761
  H      -8.327822      4.314563     -1.159128
  H      -6.569485      5.909268     -0.408281
  H      -5.622891      5.759466      1.869740
  H      -2.437294     -0.446095      3.596986
  H      -0.987641     -1.199401      4.274619
  H      -0.563281     -1.126029      1.963917
  H       0.353868      0.290611      2.564159
  H      -5.541616      2.665806     -0.072486
  H      -3.695546      3.527651     -4.191314
  H      -1.569795      2.866168     -5.328192
  H       0.063845      1.388225     -4.177860
  H      -0.391836      0.542980     -1.896303
  H      -5.267053      0.268280      5.612852
  H      -4.838089     -1.197316      6.530032
  H      -6.950993     -0.217373      7.333585
  H      -5.723157     -0.182197      8.630729
  H      -5.629232      5.707332      9.842574
  H      -8.722915      7.953395      7.319105
  H     -10.526227      7.272954      5.725407
  H     -10.912285      4.859994      5.236936
  H      -9.511843      3.122251      6.297653
  N      -3.823678      1.774310      4.131994
  N      -3.434318      2.383512      2.880931
  H      -3.655043      3.407893      2.901684
  H      -2.421714      2.265206      2.691609
  H      -3.898446      1.947147      2.044271
100
Coordinates from ORCA-job orca E -6707.593497857707
  N      -2.472286      3.592583      6.272087
  Mo     -2.737501      1.732370      5.631732
  N      -3.623260      0.512841      6.852766
  C      -2.923225     -0.049701      8.011334
  C      -1.895057      0.944398      8.526738
  N      -1.119102      1.518033      7.401578
  C      -0.593354      2.883203      7.683262
  C      -1.067768      3.847124      6.582488
  C      -0.094590      0.600130      6.864488
  C       0.103467      0.909261      5.382748
  N      -1.201035      0.882943      4.703663
  H      -0.458664      3.714378      5.674732
  H      -0.917161      4.892987      6.902855
  H       0.505562      2.869279      7.764125
  H      -0.989607      3.213825      8.653184
  H       0.788986      0.168301      4.940589
  H       0.588380      1.891135      5.262666
  H      -0.469250     -0.428699      6.966719
  H       0.850427      0.679049      7.430913
  H      -3.626883     -0.265593      8.832189
  H      -2.458328     -1.016191      7.737633
  H      -2.430432      1.776678      9.002322
  H      -1.238140      0.479580      9.283796
  C      -3.445970      4.345402      7.065274
  C      -4.175621      5.454643      6.316172
  O      -5.331487      4.891597      5.618518
  C      -5.217988      4.634280      4.322187
  O      -4.260238      4.955812      3.619594
  C      -6.401686      3.868350      3.784704
  N      -6.929343      2.961129      4.591861
  C      -7.906308      2.172875      4.074438
  N      -8.392550      2.207053      2.848446
  C      -7.890167      3.165797      2.018378
  C      -8.404660      3.271404      0.701718
  C      -7.930219      4.247736     -0.147720
  C      -6.929711      5.153211      0.283010
  C      -6.397520      5.068654      1.552534
  C      -6.857503      4.067205      2.447802
  C      -1.363239     -0.259920      3.799737
  C      -0.634975     -0.137543      2.466608
  O      -1.380580      0.759547      1.579789
  C      -1.731030      0.262937      0.370788
  O      -1.404355     -0.821160     -0.066828
  C      -2.618558      1.207563     -0.405540
  N      -3.727329      1.627826      0.192566
  C      -4.581604      2.388914     -0.548241
  N      -4.407694      2.789152     -1.788881
  C      -3.254309      2.396322     -2.406831
  C      -2.998960      2.828541     -3.729936
  C      -1.835870      2.443545     -4.364591
  C      -0.891793      1.615250     -3.709024
  C      -1.115596      1.170826     -2.423924
  C      -2.298127      1.554725     -1.744991
  C      -4.926497     -0.085687      6.560528
  C      -5.995331      0.204954      7.605445
  O      -6.125280      1.634653      7.786835
  C      -7.365442      2.158702      7.689684
  O      -8.370219      1.526729      7.416201
  C      -7.349169      3.637392      7.994585
  N      -6.419725      4.044465      8.849571
  C      -6.382853      5.370729      9.133581
  N      -7.123601      6.322439      8.600053
  C      -8.082555      5.920890      7.715093
  C      -8.897526      6.905050      7.103480
  C      -9.886536      6.528623      6.221053
  C     -10.103447      5.160788      5.926271
  C      -9.324506      4.179760      6.502004
  C      -8.283394      4.534666      7.398099
  H      -2.931810      4.816591      7.922998
  H      -4.206602      3.676408      7.501385
  H      -3.525521      5.967623      5.597082
  H      -4.614358      6.172731      7.019972
  H      -8.321531      1.428390      4.760016
  H      -9.183011      2.569592      0.400303
  H      -8.327674      4.330022     -1.160321
  H      -6.573250      5.923184     -0.402391
  H      -5.624620      5.765001      1.872769
  H      -2.431787     -0.421747      3.599891
  H      -0.989988     -1.182254      4.284399
  H      -0.554976     -1.114934      1.975408
  H       0.367263      0.298804      2.574952
  H      -5.501108      2.695948     -0.043762
  H      -3.738425      3.464750     -4.216977
  H      -1.636797      2.777698     -5.383835
  H       0.019264      1.324840     -4.233764
  H      -0.394053      0.521695     -1.928878
  H      -5.262712      0.293655      5.585528
  H      -4.837552     -1.186549      6.481340
  H      -6.956453     -0.219384      7.285944
  H      -5.738962     -0.207206      8.592249
  H      -5.634872      5.677196      9.871494
  H      -8.718848      7.949617      7.360859
  H     -10.515820      7.286893      5.752309
  H     -10.900138      4.879686      5.235846
  H      -9.505581      3.129845      6.287011
  N      -3.808600      1.809024      4.120928
  N      -3.389200      2.423201      2.883336
  H      -3.619740      3.445005      2.898711
  H      -2.370635      2.313858      2.724823
  H      -3.827776      1.986291      2.030482
100
Coordinates from ORCA-job orca E -6707.593750050525
  N      -2.473091      3.603532      6.288971
  Mo     -2.736322      1.747749      5.632836
  N      -3.627595      0.516983      6.837971
  C      -2.933906     -0.054695      7.996137
  C      -1.909086      0.935074      8.525952
  N      -1.127141      1.518801      7.410410
  C      -0.603364      2.881480      7.706486
  C      -1.070339      3.854248      6.610415
  C      -0.099351      0.605815      6.870838
  C       0.105910      0.927040      5.392793
  N      -1.194835      0.904862      4.705848
  H      -0.455071      3.729040      5.705774
  H      -0.921255      4.897335      6.940433
  H       0.495052      2.866879      7.794266
  H      -1.005683      3.204061      8.676610
  H       0.795174      0.191038      4.948248
  H       0.589504      1.910758      5.283116
  H      -0.473765     -0.424140      6.962828
  H       0.842752      0.680750      7.442606
  H      -3.642210     -0.277519      8.811013
  H      -2.467516     -1.018786      7.716676
  H      -2.447579      1.762783      9.006044
  H      -1.256042      0.463722      9.282305
  C      -3.450871      4.349941      7.083626
  C      -4.187760      5.454512      6.334973
  O      -5.336255      4.881931      5.632733
  C      -5.219457      4.639521      4.333543
  O      -4.264831      4.980099      3.635815
  C      -6.395532      3.867886      3.787553
  N      -6.923932      2.956246      4.589415
  C      -7.894664      2.165315      4.064958
  N      -8.374729      2.200491      2.836464
  C      -7.872549      3.163952      2.011681
  C      -8.380896      3.270874      0.692874
  C      -7.906966      4.252332     -0.150831
  C      -6.913609      5.161710      0.287772
  C      -6.387028      5.075756      1.559687
  C      -6.846312      4.068934      2.449288
  C      -1.355381     -0.239807      3.803121
  C      -0.624223     -0.120099      2.471366
  O      -1.369146      0.774266      1.581984
  C      -1.703813      0.280574      0.367164
  O      -1.360638     -0.797367     -0.073995
  C      -2.599574      1.218851     -0.407819
  N      -3.693201      1.658462      0.204623
  C      -4.558980      2.409752     -0.533540
  N      -4.409345      2.782958     -1.785339
  C      -3.271494      2.371152     -2.419278
  C      -3.041760      2.775334     -3.755920
  C      -1.893404      2.373782     -4.406674
  C      -0.938082      1.555888     -3.754086
  C      -1.138636      1.137489     -2.456639
  C      -2.305533      1.538100     -1.760428
  C      -4.928640     -0.079630      6.533717
  C      -6.002785      0.197892      7.576859
  O      -6.133363      1.625242      7.774579
  C      -7.372645      2.150446      7.678594
  O      -8.377675      1.521025      7.399850
  C      -7.356815      3.626373      7.997169
  N      -6.432183      4.024671      8.861287
  C      -6.395901      5.348475      9.157145
  N      -7.132768      6.305478      8.627893
  C      -8.086492      5.912767      7.733269
  C      -8.896610      6.903043      7.125065
  C      -9.879697      6.535332      6.232460
  C     -10.095498      5.170421      5.923564
  C      -9.321287      4.183555      6.495799
  C      -8.286324      4.529660      7.402481
  H      -2.939166      4.823689      7.941236
  H      -4.207968      3.676780      7.519803
  H      -3.540584      5.974672      5.618486
  H      -4.634767      6.167622      7.038661
  H      -8.310445      1.417174      4.746273
  H      -9.153817      2.566080      0.384615
  H      -8.299556      4.336061     -1.165229
  H      -6.558147      5.935924     -0.393393
  H      -5.618903      5.774462      1.885936
  H      -2.423686     -0.401336      3.601528
  H      -0.984282     -1.161047      4.291490
  H      -0.542502     -1.098591      1.982634
  H       0.377612      0.316908      2.581539
  H      -5.464336      2.734386     -0.015008
  H      -3.788928      3.404898     -4.239882
  H      -1.714678      2.686970     -5.436328
  H      -0.037743      1.252457     -4.289735
  H      -0.409570      0.496079     -1.962876
  H      -5.261172      0.309829      5.561406
  H      -4.838282     -1.179547      6.442921
  H      -6.962391     -0.222459      7.247745
  H      -5.751357     -0.227107      8.559461
  H      -5.652703      5.647290      9.902969
  H      -8.718865      7.945034      7.393336
  H     -10.505406      7.298024      5.766087
  H     -10.887406      4.896425      5.224852
  H      -9.501829      3.135878      6.269589
  N      -3.794412      1.839205      4.112174
  N      -3.348323      2.464761      2.889035
  H      -3.589162      3.483815      2.910820
  H      -2.325590      2.366971      2.751143
  H      -3.764364      2.027505      2.021129
100
Coordinates from ORCA-job orca E -6707.594012736529
  N      -2.467950      3.612323      6.302823
  Mo     -2.733789      1.761936      5.630855
  N      -3.631479      0.520607      6.819201
  C      -2.947484     -0.062132      7.977824
  C      -1.925742      0.920917      8.525619
  N      -1.135761      1.515314      7.422045
  C      -0.613916      2.874789      7.733299
  C      -1.067570      3.856265      6.639316
  C      -0.104828      0.606822      6.880733
  C       0.109685      0.939457      5.406694
  N      -1.185997      0.923478      4.709867
  H      -0.443121      3.737242      5.740189
  H      -0.919270      4.896395      6.978922
  H       0.483576      2.858729      7.832926
  H      -1.026523      3.190523      8.701295
  H       0.802450      0.207250      4.961355
  H       0.593370      1.924236      5.307507
  H      -0.479586     -0.423963      6.961966
  H       0.834086      0.677402      7.458214
  H      -3.662642     -0.292167      8.784470
  H      -2.480099     -1.023809      7.691870
  H      -2.467251      1.743486      9.011259
  H      -1.278091      0.440778      9.281057
  C      -3.450025      4.355638      7.095807
  C      -4.195511      5.452229      6.344236
  O      -5.336592      4.866103      5.640427
  C      -5.222317      4.640898      4.337415
  O      -4.274468      5.002299      3.641073
  C      -6.393477      3.864146      3.788393
  N      -6.920688      2.950617      4.589415
  C      -7.887610      2.156512      4.063773
  N      -8.366292      2.189915      2.834566
  C      -7.866552      3.155302      2.010357
  C      -8.373283      3.259750      0.690992
  C      -7.901233      4.242923     -0.151569
  C      -6.912674      5.156500      0.288393
  C      -6.387387      5.073034      1.561235
  C      -6.844144      4.064109      2.449925
  C      -1.344247     -0.222171      3.806450
  C      -0.606780     -0.104606      2.478159
  O      -1.348005      0.788364      1.585124
  C      -1.670768      0.296600      0.365762
  O      -1.315376     -0.776791     -0.076311
  C      -2.574520      1.228627     -0.406766
  N      -3.655639      1.679238      0.220159
  C      -4.536572      2.420013     -0.513243
  N      -4.412429      2.771256     -1.773123
  C      -3.287632      2.349430     -2.423372
  C      -3.086218      2.730997     -3.770662
  C      -1.951121      2.321240     -4.437901
  C      -0.980062      1.517179     -3.791380
  C      -1.153358      1.119571     -2.483341
  C      -2.307679      1.528426     -1.769560
  C      -4.931206     -0.071017      6.501122
  C      -6.011554      0.194752      7.541072
  O      -6.141694      1.619806      7.755176
  C      -7.379216      2.147522      7.660808
  O      -8.385891      1.521866      7.378993
  C      -7.361770      3.620879      7.993109
  N      -6.439400      4.008990      8.863982
  C      -6.401433      5.330225      9.171878
  N      -7.134895      6.293358      8.649499
  C      -8.086159      5.910895      7.747663
  C      -8.892143      6.908441      7.145807
  C      -9.871844      6.551036      6.245490
  C     -10.088408      5.189593      5.921942
  C      -9.318369      4.195815      6.487943
  C      -8.287062      4.531414      7.402801
  H      -2.940105      4.836087      7.950528
  H      -4.203211      3.680383      7.535914
  H      -3.553093      5.978093      5.627764
  H      -4.651071      6.162352      7.045566
  H      -8.301877      1.406545      4.744158
  H      -9.142470      2.552109      0.380079
  H      -8.291744      4.325722     -1.166881
  H      -6.560077      5.932283     -0.392511
  H      -5.622296      5.774652      1.888043
  H      -2.412170     -0.381867      3.601145
  H      -0.978097     -1.142900      4.299441
  H      -0.522971     -1.083653      1.990860
  H       0.394250      0.333028      2.593301
  H      -5.429247      2.754085      0.020730
  H      -3.844618      3.351046     -4.249510
  H      -1.795094      2.617177     -5.476356
  H      -0.088776      1.207167     -4.338113
  H      -0.413027      0.488309     -1.993373
  H      -5.258243      0.329925      5.531576
  H      -4.841707     -1.169991      6.397807
  H      -6.969873     -0.220051      7.201431
  H      -5.766699     -0.243555      8.519444
  H      -5.660504      5.619891      9.923526
  H      -8.713481      7.947292      7.425468
  H     -10.494867      7.318607      5.783506
  H     -10.877420      4.924360      5.216643
  H      -9.499884      3.150887      6.250006
  N      -3.777430      1.872085      4.101150
  N      -3.303126      2.508685      2.891949
  H      -3.556959      3.523993      2.914367
  H      -2.275918      2.420554      2.785734
  H      -3.692328      2.069109      2.010395
100
Coordinates from ORCA-job orca E -6707.594249817402
  N      -2.471623      3.620171      6.317982
  Mo     -2.735464      1.774133      5.632173
  N      -3.633035      0.520623      6.807201
  C      -2.953454     -0.071177      7.963840
  C      -1.936466      0.908431      8.526224
  N      -1.142724      1.515427      7.432790
  C      -0.626924      2.873479      7.757526
  C      -1.073650      3.861609      6.666786
  C      -0.107650      0.614557      6.887538
  C       0.112068      0.959367      5.417183
  N      -1.180791      0.945110      4.714300
  H      -0.442179      3.749739      5.771638
  H      -0.928197      4.899417      7.014615
  H       0.469785      2.859337      7.866658
  H      -1.048623      3.181485      8.724076
  H       0.808694      0.232940      4.968563
  H       0.592300      1.946510      5.326970
  H      -0.479680     -0.417985      6.958757
  H       0.829221      0.682781      7.468680
  H      -3.672566     -0.310021      8.764307
  H      -2.483140     -1.029264      7.670830
  H      -2.482054      1.724531      9.018226
  H      -1.291398      0.421625      9.279667
  C      -3.458912      4.358847      7.109478
  C      -4.213278      5.447004      6.355229
  O      -5.346295      4.850433      5.647318
  C      -5.229795      4.644432      4.340537
  O      -4.285088      5.024925      3.650326
  C      -6.394342      3.865511      3.780548
  N      -6.922508      2.945754      4.573512
  C      -7.883804      2.151166      4.039040
  N      -8.355182      2.188275      2.807018
  C      -7.855172      3.160331      1.990853
  C      -8.354803      3.268883      0.669156
  C      -7.884088      4.259955     -0.164994
  C      -6.904623      5.177687      0.286257
  C      -6.385546      5.089683      1.561438
  C      -6.840334      4.072104      2.441409
  C      -1.334190     -0.202136      3.810532
  C      -0.592989     -0.085300      2.484590
  O      -1.334044      0.804172      1.589173
  C      -1.641875      0.314286      0.365237
  O      -1.270819     -0.751861     -0.080614
  C      -2.554231      1.237399     -0.407055
  N      -3.621180      1.704722      0.232287
  C      -4.513466      2.434995     -0.498256
  N      -4.413441      2.758926     -1.766755
  C      -3.302643      2.321420     -2.430839
  C      -3.127104      2.676476     -3.788807
  C      -2.006664      2.251700     -4.470282
  C      -1.023851      1.458269     -3.828600
  C      -1.171106      1.086219     -2.509875
  C      -2.311276      1.510586     -1.780091
  C      -4.931421     -0.068226      6.478758
  C      -6.015227      0.186435      7.518188
  O      -6.144338      1.609126      7.747236
  C      -7.380935      2.138654      7.656913
  O      -8.388652      1.516432      7.371004
  C      -7.362300      3.609536      8.000043
  N      -6.444126      3.989547      8.878853
  C      -6.406508      5.308447      9.197292
  N      -7.135518      6.276403      8.677860
  C      -8.082224      5.902297      7.767770
  C      -8.883686      6.905482      7.169158
  C      -9.858616      6.555963      6.260694
  C     -10.074521      5.197334      5.925062
  C      -9.308763      4.198210      6.487500
  C      -8.282821      4.525725      7.411238
  H      -2.951600      4.846002      7.961648
  H      -4.207643      3.680279      7.552679
  H      -3.574293      5.978973      5.640228
  H      -4.677666      6.153356      7.054753
  H      -8.299459      1.396210      4.712983
  H      -9.117991      2.558797      0.349274
  H      -8.268763      4.346065     -1.182251
  H      -6.553749      5.960036     -0.387982
  H      -5.626805      5.794080      1.896681
  H      -2.401381     -0.363534      3.602568
  H      -0.968326     -1.120766      4.307440
  H      -0.505930     -1.065131      1.999233
  H       0.406840      0.354274      2.603376
  H      -5.394213      2.782313      0.047126
  H      -3.893881      3.289132     -4.263869
  H      -1.871258      2.527604     -5.517180
  H      -0.144011      1.135317     -4.386173
  H      -0.422298      0.462535     -2.023270
  H      -5.256081      0.342436      5.512494
  H      -4.841362     -1.166064      6.364236
  H      -6.972943     -0.223429      7.170894
  H      -5.773716     -0.263219      8.492168
  H      -5.668060      5.591206      9.953985
  H      -8.705271      7.941826      7.458128
  H     -10.478566      7.327280      5.800793
  H     -10.859617      4.938707      5.212974
  H      -9.489885      3.155603      6.239303
  N      -3.767749      1.899296      4.097250
  N      -3.272186      2.547040      2.900745
  H      -3.541821      3.557796      2.921828
  H      -2.241760      2.473700      2.821987
  H      -3.634466      2.102439      2.008897
100
Coordinates from ORCA-job orca E -6707.594466499756
  N      -2.471091      3.627091      6.330519
  Mo     -2.732750      1.787384      5.626562
  N      -3.638097      0.522564      6.783201
  C      -2.968828     -0.082445      7.938811
  C      -1.957709      0.890941      8.521786
  N      -1.153912      1.511325      7.443764
  C      -0.644435      2.866559      7.787042
  C      -1.077334      3.863539      6.698857
  C      -0.113488      0.617787      6.897676
  C       0.118304      0.976882      5.432303
  N      -1.168965      0.966064      4.718265
  H      -0.435268      3.758224      5.810410
  H      -0.934226      4.898299      7.056511
  H       0.450646      2.852770      7.911987
  H      -1.080569      3.165958      8.749874
  H       0.819608      0.256397      4.981564
  H       0.596484      1.965863      5.354937
  H      -0.484438     -0.415990      6.955458
  H       0.818847      0.681113      7.486762
  H      -3.695850     -0.330285      8.729353
  H      -2.495783     -1.037067      7.639147
  H      -2.508179      1.700606      9.018945
  H      -1.320115      0.394771      9.275626
  C      -3.464878      4.360246      7.120207
  C      -4.224693      5.442924      6.365156
  O      -5.350156      4.837733      5.653122
  C      -5.233818      4.645117      4.343701
  O      -4.295024      5.042097      3.654877
  C      -6.392501      3.859204      3.780609
  N      -6.920153      2.940798      4.575099
  C      -7.876163      2.139552      4.041269
  N      -8.340920      2.167717      2.806401
  C      -7.841200      3.138110      1.988100
  C      -8.334043      3.236310      0.662913
  C      -7.864967      4.225368     -0.174810
  C      -6.894256      5.152024      0.277393
  C      -6.382113      5.074172      1.555925
  C      -6.834301      4.058196      2.438948
  C      -1.316671     -0.181769      3.813700
  C      -0.569883     -0.064153      2.490953
  O      -1.312679      0.819962      1.593054
  C      -1.612160      0.328360      0.368514
  O      -1.227321     -0.734210     -0.075901
  C      -2.536090      1.243612     -0.401319
  N      -3.589891      1.721461      0.253376
  C      -4.497829      2.441196     -0.467916
  N      -4.426868      2.747108     -1.742683
  C      -3.329173      2.304824     -2.424356
  C      -3.181950      2.644032     -3.789492
  C      -2.074964      2.212259     -4.487277
  C      -1.078229      1.427968     -3.856068
  C      -1.195970      1.071999     -2.529600
  C      -2.322893      1.503692     -1.784010
  C      -4.935706     -0.058448      6.437008
  C      -6.025794      0.186090      7.472796
  O      -6.151417      1.606140      7.719682
  C      -7.386698      2.140343      7.635239
  O      -8.396115      1.524849      7.341026
  C      -7.363767      3.607038      7.994161
  N      -6.449173      3.973425      8.882617
  C      -6.408517      5.288457      9.216494
  N      -7.131183      6.264833      8.704221
  C      -8.073868      5.905228      7.784327
  C      -8.868301      6.918418      7.193147
  C      -9.839143      6.582850      6.275123
  C     -10.057413      5.229094      5.922039
  C      -9.298403      4.220525      6.476625
  C      -8.277067      4.533585      7.410361
  H      -2.960851      4.850194      7.972434
  H      -4.211118      3.678196      7.562900
  H      -3.586596      5.980281      5.653372
  H      -4.696887      6.145400      7.063515
  H      -8.293372      1.387557      4.717494
  H      -9.091670      2.520262      0.343094
  H      -8.243950      4.302534     -1.194855
  H      -6.544904      5.933335     -0.398809
  H      -5.630867      5.785940      1.892419
  H      -2.382592     -0.344109      3.599881
  H      -0.951764     -1.099015      4.313622
  H      -0.476121     -1.044633      2.007913
  H       0.427850      0.379103      2.614602
  H      -5.366986      2.795725      0.091472
  H      -3.959392      3.249793     -4.255971
  H      -1.960588      2.475953     -5.539880
  H      -0.209797      1.098724     -4.427709
  H      -0.436181      0.455871     -2.051185
  H      -5.252884      0.365322      5.473946
  H      -4.847463     -1.154819      6.308530
  H      -6.982552     -0.215769      7.113694
  H      -5.791675     -0.276742      8.442349
  H      -5.673090      5.559531      9.980362
  H      -8.687980      7.950593      7.495489
  H     -10.453999      7.361462      5.820705
  H     -10.839399      4.981685      5.202547
  H      -9.481569      3.181781      6.214264
  N      -3.745406      1.931594      4.081256
  N      -3.226137      2.593998      2.900899
  H      -3.510504      3.600354      2.922741
  H      -2.193552      2.534126      2.851234
  H      -3.562303      2.148294      1.998380
100
Coordinates from ORCA-job orca E -6707.594660718919
  N      -2.470048      3.634395      6.341662
  Mo     -2.730953      1.799903      5.623327
  N      -3.639765      0.525331      6.766810
  C      -2.975721     -0.091369      7.918806
  C      -1.967753      0.876793      8.516531
  N      -1.158738      1.508234      7.449132
  C      -0.653797      2.861190      7.806114
  C      -1.078502      3.865761      6.721651
  C      -0.116078      0.620511      6.899580
  C       0.122368      0.991891      5.438051
  N      -1.162113      0.985231      4.718630
  H      -0.430758      3.765185      5.836742
  H      -0.935953      4.898003      7.086755
  H       0.440101      2.847592      7.941438
  H      -1.099614      3.153424      8.766677
  H       0.825477      0.275659      4.983512
  H       0.599549      1.981816      5.370082
  H      -0.486844     -0.413841      6.946731
  H       0.814029      0.678430      7.492951
  H      -3.706715     -0.347216      8.703189
  H      -2.500827     -1.042755      7.612034
  H      -2.520595      1.680855      9.020053
  H      -1.334432      0.372426      9.268677
  C      -3.467696      4.361472      7.132978
  C      -4.233388      5.440767      6.379737
  O      -5.353969      4.832051      5.663997
  C      -5.238538      4.655975      4.351730
  O      -4.306527      5.071718      3.664867
  C      -6.389969      3.864044      3.782260
  N      -6.911896      2.937882      4.570993
  C      -7.860350      2.131497      4.031804
  N      -8.320672      2.159768      2.795234
  C      -7.826570      3.137671      1.982740
  C      -8.315501      3.236105      0.655911
  C      -7.854859      4.233510     -0.176657
  C      -6.895858      5.168802      0.283206
  C      -6.387104      5.090545      1.562898
  C      -6.830426      4.065847      2.440401
  C      -1.307874     -0.162864      3.813648
  C      -0.557386     -0.047131      2.492914
  O      -1.299856      0.832919      1.592491
  C      -1.584192      0.343271      0.364442
  O      -1.184346     -0.711648     -0.083433
  C      -2.514393      1.249069     -0.403092
  N      -3.553836      1.744079      0.262083
  C      -4.471764      2.454390     -0.453087
  N      -4.422804      2.737274     -1.734587
  C      -3.338268      2.278942     -2.426563
  C      -3.213682      2.593870     -3.800087
  C      -2.120509      2.144574     -4.509157
  C      -1.116721      1.366869     -3.881341
  C      -1.210899      1.035498     -2.546586
  C      -2.323697      1.484621     -1.790059
  C      -4.936792     -0.050036      6.407888
  C      -6.031503      0.185220      7.440995
  O      -6.156111      1.602715      7.701999
  C      -7.392644      2.136640      7.627183
  O      -8.402114      1.523473      7.328763
  C      -7.369762      3.600217      7.996166
  N      -6.459520      3.959741      8.892032
  C      -6.420387      5.272253      9.235996
  N      -7.141609      6.252207      8.728468
  C      -8.079420      5.899875      7.800862
  C      -8.871463      6.917425      7.214044
  C      -9.837417      6.588617      6.288307
  C     -10.052504      5.237670      5.922831
  C      -9.295573      4.225039      6.472777
  C      -8.279658      4.531262      7.414519
  H      -2.965015      4.853839      7.984525
  H      -4.209426      3.674810      7.576392
  H      -3.596969      5.983711      5.670671
  H      -4.710050      6.138327      7.080076
  H      -8.275634      1.375581      4.704802
  H      -9.064892      2.513507      0.331380
  H      -8.231408      4.309973     -1.197594
  H      -6.552943      5.957253     -0.387969
  H      -5.645584      5.809548      1.905693
  H      -2.373017     -0.324078      3.595395
  H      -0.944472     -1.079782      4.315055
  H      -0.460622     -1.028903      2.012968
  H       0.440037      0.396269      2.619094
  H      -5.329553      2.822749      0.115516
  H      -3.996779      3.194922     -4.263056
  H      -2.022716      2.389346     -5.567973
  H      -0.260509      1.023076     -4.462942
  H      -0.445370      0.424241     -2.071697
  H      -5.248698      0.384471      5.447892
  H      -4.849201     -1.144968      6.267919
  H      -6.986994     -0.211196      7.072673
  H      -5.802261     -0.287708      8.406870
  H      -5.689868      5.537420     10.006604
  H      -8.693542      7.947249      7.525625
  H     -10.450576      7.370561      5.837359
  H     -10.830746      4.995398      5.197523
  H      -9.476472      3.188420      6.200586
  N      -3.733207      1.962273      4.074238
  N      -3.198318      2.638968      2.907466
  H      -3.500981      3.639726      2.925217
  H      -2.163887      2.597213      2.885033
  H      -3.508388      2.185837      1.997822
100
Coordinates from ORCA-job orca E -6707.594815925282
  N      -2.467957      3.640086      6.361156
  Mo     -2.724783      1.810094      5.629868
  N      -3.636544      0.526861      6.761629
  C      -2.978006     -0.098573      7.911636
  C      -1.973553      0.865950      8.521442
  N      -1.160121      1.507183      7.463108
  C      -0.661203      2.858409      7.833185
  C      -1.079115      3.868864      6.751960
  C      -0.113362      0.626180      6.911060
  C       0.130903      1.009104      5.452837
  N      -1.150472      1.004228      4.728208
  H      -0.425726      3.772660      5.870741
  H      -0.938964      4.899153      7.123448
  H       0.431467      2.846515      7.978308
  H      -1.116803      3.143414      8.791289
  H       0.837588      0.298169      4.995542
  H       0.605792      2.000654      5.394268
  H      -0.482509     -0.409111      6.948456
  H       0.814255      0.680679      7.508826
  H      -3.712529     -0.360624      8.690684
  H      -2.500728     -1.047266      7.600349
  H      -2.529715      1.665053      9.029136
  H      -1.343611      0.356247      9.272920
  C      -3.471441      4.360830      7.151252
  C      -4.239514      5.437350      6.396608
  O      -5.352522      4.826112      5.672394
  C      -5.231260      4.664244      4.358754
  O      -4.299968      5.093476      3.679320
  C      -6.374724      3.870313      3.776033
  N      -6.897332      2.935643      4.554076
  C      -7.837818      2.128487      4.002232
  N      -8.287972      2.161890      2.762096
  C      -7.793742      3.148704      1.960790
  C      -8.273103      3.253621      0.630784
  C      -7.814767      4.260757     -0.191052
  C      -6.866982      5.200234      0.283649
  C      -6.367005      5.115703      1.566292
  C      -6.807646      4.080515      2.432751
  C      -1.296285     -0.143490      3.822849
  C      -0.545778     -0.025983      2.501648
  O      -1.292650      0.849416      1.599471
  C      -1.565405      0.360856      0.368935
  O      -1.150316     -0.688612     -0.081613
  C      -2.509468      1.257785     -0.401250
  N      -3.531299      1.773977      0.274744
  C      -4.458795      2.477020     -0.431912
  N      -4.436292      2.734669     -1.720463
  C      -3.370471      2.255906     -2.427526
  C      -3.278345      2.545187     -3.809955
  C      -2.205595      2.076171     -4.538292
  C      -1.191857      1.303872     -3.921030
  C      -1.254652      0.997878     -2.578663
  C      -2.344875      1.466562     -1.800975
  C      -4.931941     -0.045493      6.390408
  C      -6.033113      0.179445      7.418520
  O      -6.159780      1.594436      7.691242
  C      -7.397924      2.126287      7.616735
  O      -8.404614      1.512869      7.310096
  C      -7.379587      3.587042      7.994408
  N      -6.478128      3.942654      8.900751
  C      -6.444968      5.252851      9.253625
  N      -7.164433      6.234525      8.746462
  C      -8.092711      5.886252      7.807786
  C      -8.882244      6.905634      7.220890
  C      -9.838778      6.580715      6.283867
  C     -10.046415      5.231778      5.906827
  C      -9.291650      4.217455      6.456559
  C      -8.285697      4.519900      7.410141
  H      -2.973012      4.856626      8.003412
  H      -4.208931      3.669251      7.593846
  H      -3.601269      5.985328      5.693054
  H      -4.722534      6.129968      7.097478
  H      -8.254276      1.366423      4.667553
  H      -9.014457      2.527244      0.296222
  H      -8.184819      4.341421     -1.213984
  H      -6.525162      5.996889     -0.378352
  H      -5.634208      5.838030      1.920558
  H      -2.360929     -0.304499      3.602182
  H      -0.932412     -1.061141      4.322627
  H      -0.444111     -1.007812      2.022871
  H       0.450223      0.420807      2.627314
  H      -5.302607      2.861424      0.146897
  H      -4.068992      3.142869     -4.264240
  H      -2.132469      2.300945     -5.603449
  H      -0.353011      0.944416     -4.518439
  H      -0.481223      0.389896     -2.113016
  H      -5.238271      0.398667      5.433023
  H      -4.842399     -1.138845      6.240128
  H      -6.985615     -0.213612      7.039190
  H      -5.810541     -0.302266      8.381658
  H      -5.722826      5.514994     10.033116
  H      -8.710346      7.933846      7.541026
  H     -10.449658      7.364564      5.833173
  H     -10.817192      4.992121      5.172713
  H      -9.466535      3.182133      6.175467
  N      -3.710192      1.983318      4.075057
  N      -3.165009      2.670413      2.919663
  H      -3.479248      3.667427      2.938113
  H      -2.130336      2.643931      2.914688
  H      -3.457853      2.215057      2.004947
100
Coordinates from ORCA-job orca E -6707.594940661029
  N      -2.471019      3.650395      6.370480
  Mo     -2.720467      1.824384      5.624012
  N      -3.642289      0.531685      6.737171
  C      -2.990808     -0.106294      7.884375
  C      -1.991524      0.852672      8.512488
  N      -1.171134      1.507057      7.467412
  C      -0.679604      2.856120      7.855026
  C      -1.086086      3.874722      6.777455
  C      -0.117366      0.633629      6.916706
  C       0.136860      1.027436      5.463759
  N      -1.138473      1.024629      4.728872
  H      -0.423601      3.784527      5.902475
  H      -0.949551      4.902201      7.158077
  H       0.411157      2.845134      8.014116
  H      -1.148425      3.131801      8.809421
  H       0.849330      0.321893      5.006991
  H       0.609008      2.020817      5.415739
  H      -0.483899     -0.402940      6.943426
  H       0.805309      0.685944      7.522245
  H      -3.729935     -0.377575      8.655875
  H      -2.510379     -1.050971      7.565815
  H      -2.552539      1.644760      9.025807
  H      -1.366068      0.335302      9.262439
  C      -3.483569      4.360269      7.159537
  C      -4.257605      5.432465      6.404527
  O      -5.362680      4.813377      5.675377
  C      -5.238705      4.660731      4.361348
  O      -4.311600      5.105456      3.686051
  C      -6.374352      3.859786      3.772441
  N      -6.896954      2.921817      4.546894
  C      -7.831523      2.111710      3.989686
  N      -8.275358      2.143715      2.747213
  C      -7.782324      3.134130      1.949789
  C      -8.256709      3.239092      0.617940
  C      -7.801770      4.251117     -0.199453
  C      -6.862388      5.195782      0.281492
  C      -6.366710      5.111214      1.565809
  C      -6.803504      4.070757      2.428004
  C      -1.279969     -0.123383      3.824328
  C      -0.528001     -0.004171      2.504516
  O      -1.278874      0.866728      1.603622
  C      -1.545052      0.378493      0.372231
  O      -1.117261     -0.666853     -0.075873
  C      -2.495968      1.267382     -0.393630
  N      -3.502872      1.800858      0.291794
  C      -4.439833      2.497173     -0.407223
  N      -4.440911      2.732865     -1.701223
  C      -3.390335      2.236643     -2.417846
  C      -3.320763      2.502730     -3.806576
  C      -2.261504      2.018499     -4.545220
  C      -1.239751      1.253767     -3.931002
  C      -1.282685      0.968822     -2.583293
  C      -2.357279      1.453316     -1.796338
  C      -4.935885     -0.034938      6.352210
  C      -6.041016      0.176212      7.378464
  O      -6.164093      1.587495      7.670140
  C      -7.401599      2.121944      7.606163
  O      -8.410991      1.512921      7.299843
  C      -7.378854      3.578716      7.997741
  N      -6.481514      3.922041      8.912730
  C      -6.446049      5.228682      9.278350
  N      -7.157514      6.218238      8.774881
  C      -8.080741      5.882329      7.826638
  C      -8.861935      6.909949      7.243092
  C      -9.812624      6.597478      6.295810
  C     -10.022595      5.252945      5.904570
  C      -9.276076      4.230755      6.451076
  C      -8.276734      4.520545      7.415495
  H      -2.992261      4.858514      8.014416
  H      -4.216312      3.661339      7.598257
  H      -3.621315      5.987085      5.704416
  H      -4.748051      6.119485      7.105811
  H      -8.247760      1.347321      4.652547
  H      -8.991908      2.508284      0.279418
  H      -8.168862      4.331613     -1.223478
  H      -6.523163      5.996537     -0.376899
  H      -5.640210      5.837291      1.925110
  H      -2.343758     -0.286373      3.601135
  H      -0.915271     -1.040693      4.324095
  H      -0.421333     -0.986353      2.027393
  H       0.466505      0.446220      2.629717
  H      -5.271041      2.896235      0.179282
  H      -4.117041      3.095909     -4.256867
  H      -2.205150      2.225579     -5.614921
  H      -0.410828      0.883998     -4.535952
  H      -0.503262      0.367461     -2.119294
  H      -5.237413      0.423681      5.400060
  H      -4.846558     -1.126124      6.186619
  H      -6.992709     -0.208688      6.988815
  H      -5.824226     -0.321232      8.334967
  H      -5.725535      5.481864     10.062273
  H      -8.688441      7.934675      7.573428
  H     -10.416521      7.388278      5.847868
  H     -10.788168      5.022828      5.162029
  H      -9.452556      3.198677      6.159002
  N      -3.689209      2.020355      4.058173
  N      -3.123386      2.718442      2.920589
  H      -3.455998      3.709524      2.939544
  H      -2.088432      2.710624      2.941544
  H      -3.389065      2.259925      1.993413
100
Coordinates from ORCA-job orca E -6707.595029484344
  N      -2.471250      3.655253      6.386186
  Mo     -2.709963      1.835033      5.621364
  N      -3.643273      0.533939      6.715856
  C      -3.003829     -0.115941      7.862616
  C      -2.011415      0.836482      8.511361
  N      -1.181110      1.502485      7.481939
  C      -0.698221      2.849767      7.886384
  C      -1.091112      3.876174      6.810622
  C      -0.119136      0.636609      6.935442
  C       0.150654      1.043076      5.488631
  N      -1.115941      1.044920      4.739409
  H      -0.418378      3.791706      5.943034
  H      -0.958592      4.901026      7.199839
  H       0.390106      2.840427      8.061881
  H      -1.182419      3.116967      8.835434
  H       0.869572      0.342624      5.034082
  H       0.621281      2.037742      5.453905
  H      -0.483980     -0.400842      6.948410
  H       0.796321      0.684889      7.552131
  H      -3.750269     -0.395589      8.624018
  H      -2.519285     -1.056918      7.539281
  H      -2.578433      1.622001      9.028223
  H      -1.393251      0.311314      9.261925
  C      -3.492277      4.355762      7.173360
  C      -4.266670      5.430625      6.422041
  O      -5.365535      4.810558      5.684319
  C      -5.240270      4.668244      4.370050
  O      -4.316868      5.124805      3.697325
  C      -6.369155      3.861412      3.776432
  N      -6.881257      2.912562      4.545301
  C      -7.805700      2.094713      3.982576
  N      -8.249116      2.128645      2.740024
  C      -7.767874      3.130034      1.948800
  C      -8.241351      3.236695      0.616935
  C      -7.796882      4.258111     -0.194221
  C      -6.869466      5.211208      0.292940
  C      -6.374828      5.125842      1.577733
  C      -6.800636      4.075734      2.433505
  C      -1.248192     -0.098690      3.827681
  C      -0.494621      0.030456      2.509131
  O      -1.258237      0.884752      1.604290
  C      -1.507569      0.391306      0.370584
  O      -1.054771     -0.643108     -0.076122
  C      -2.474999      1.259874     -0.392826
  N      -3.468315      1.798820      0.308123
  C      -4.423681      2.483988     -0.374882
  N      -4.454007      2.707676     -1.670865
  C      -3.419305      2.205354     -2.404580
  C      -3.388025      2.454796     -3.797485
  C      -2.349634      1.963161     -4.558426
  C      -1.311071      1.207538     -3.961786
  C      -1.314211      0.937447     -2.610007
  C      -2.368660      1.430980     -1.798859
  C      -4.933455     -0.027355      6.312578
  C      -6.047505      0.173271      7.330971
  O      -6.171370      1.581474      7.637950
  C      -7.407797      2.118246      7.572741
  O      -8.416558      1.514670      7.253945
  C      -7.384660      3.570164      7.982304
  N      -6.498204      3.898497      8.913042
  C      -6.463195      5.200270      9.295805
  N      -7.164264      6.198924      8.795597
  C      -8.075874      5.878314      7.830740
  C      -8.845313      6.915921      7.249392
  C      -9.784032      6.619113      6.285196
  C      -9.993650      5.280437      5.874239
  C      -9.258549      4.248785      6.418520
  C      -8.271344      4.522635      7.399960
  H      -3.007605      4.851026      8.033802
  H      -4.224161      3.651040      7.603789
  H      -3.629660      5.992819      5.728745
  H      -4.762471      6.111020      7.126008
  H      -8.213514      1.321918      4.641075
  H      -8.966775      2.498421      0.273504
  H      -8.163613      4.339247     -1.218328
  H      -6.538599      6.019593     -0.360375
  H      -5.656766      5.857980      1.941856
  H      -2.310325     -0.266392      3.600228
  H      -0.880080     -1.016815      4.323281
  H      -0.369702     -0.950883      2.034584
  H       0.491719      0.498211      2.635461
  H      -5.243720      2.885619      0.225054
  H      -4.197733      3.040894     -4.232870
  H      -2.322851      2.156075     -5.631886
  H      -0.498829      0.832305     -4.585671
  H      -0.519880      0.343608     -2.161769
  H      -5.224871      0.443659      5.363346
  H      -4.844453     -1.116765      6.135139
  H      -6.995877     -0.205254      6.927262
  H      -5.840631     -0.336496      8.283157
  H      -5.751925      5.441200     10.091976
  H      -8.672834      7.935951      7.594506
  H     -10.378526      7.418112      5.839240
  H     -10.749557      5.062326      5.118305
  H      -9.434750      3.221024      6.111131
  N      -3.657750      2.043586      4.048635
  N      -3.089927      2.764027      2.923460
  H      -3.438033      3.749778      2.941809
  H      -2.055979      2.769516      2.963910
  H      -3.345210      2.297049      2.000412
100
Coordinates from ORCA-job orca E -6707.595111919297
  N      -2.456363      3.660780      6.409299
  Mo     -2.696014      1.845913      5.631256
  N      -3.633556      0.535266      6.710098
  C      -2.999391     -0.123831      7.854596
  C      -2.008973      0.822478      8.515393
  N      -1.174891      1.497090      7.494468
  C      -0.692975      2.840474      7.912800
  C      -1.077989      3.875091      6.842625
  C      -0.110294      0.635763      6.945202
  C       0.164532      1.054226      5.502741
  N      -1.099076      1.061916      4.748965
  H      -0.401060      3.795478      5.977847
  H      -0.944373      4.896688      7.239934
  H       0.394151      2.828946      8.095525
  H      -1.183950      3.100577      8.860263
  H       0.886198      0.358509      5.045228
  H       0.634377      2.049556      5.478087
  H      -0.475276     -0.401774      6.947719
  H       0.802306      0.679034      7.566277
  H      -3.749196     -0.409438      8.610367
  H      -2.513444     -1.062190      7.525705
  H      -2.578220      1.603518      9.036674
  H      -1.393427      0.291233      9.263725
  C      -3.480506      4.358630      7.194526
  C      -4.259665      5.427073      6.439004
  O      -5.351485      4.801561      5.695188
  C      -5.224714      4.679804      4.378421
  O      -4.304407      5.153988      3.713650
  C      -6.347159      3.874904      3.770548
  N      -6.858595      2.913848      4.524330
  C      -7.777054      2.099858      3.946743
  N      -8.215800      2.148388      2.703055
  C      -7.735833      3.162230      1.927362
  C      -8.203312      3.283768      0.594728
  C      -7.759715      4.317606     -0.200938
  C      -6.839586      5.268849      0.303058
  C      -6.350510      5.169104      1.589062
  C      -6.774978      4.105734      2.429078
  C      -1.232520     -0.080547      3.836045
  C      -0.482248      0.050776      2.515678
  O      -1.251451      0.903007      1.613604
  C      -1.501474      0.410444      0.379635
  O      -1.039735     -0.619583     -0.070752
  C      -2.482432      1.273002     -0.378847
  N      -3.455751      1.836246      0.331225
  C      -4.420259      2.514345     -0.346779
  N      -4.479665      2.704726     -1.647534
  C      -3.465449      2.177364     -2.393006
  C      -3.465636      2.390257     -3.792576
  C      -2.446406      1.876394     -4.565138
  C      -1.394565      1.134430     -3.973302
  C      -1.369702      0.900115     -2.615703
  C      -2.404058      1.414428     -1.791968
  C      -4.920528     -0.024641      6.294422
  C      -6.042725      0.165377      7.306142
  O      -6.174606      1.571099      7.621242
  C      -7.413052      2.102099      7.550298
  O      -8.417541      1.494247      7.226262
  C      -7.399284      3.553186      7.963636
  N      -6.519634      3.883850      8.899858
  C      -6.493058      5.185215      9.285109
  N      -7.199233      6.180730      8.785840
  C      -8.104061      5.857413      7.815323
  C      -8.877224      6.891773      7.233147
  C      -9.808712      6.591805      6.262919
  C     -10.007310      5.253139      5.846393
  C      -9.268323      4.224661      6.391328
  C      -8.288191      4.502028      7.378897
  H      -2.998073      4.860556      8.052276
  H      -4.208584      3.652078      7.628729
  H      -3.623368      5.992983      5.748239
  H      -4.762628      6.104492      7.140750
  H      -8.185959      1.318247      4.594041
  H      -8.923017      2.546273      0.237931
  H      -8.121302      4.410284     -1.225893
  H      -6.509873      6.087555     -0.337852
  H      -5.637160      5.899530      1.965564
  H      -2.294950     -0.249507      3.610458
  H      -0.863193     -0.999236      4.329722
  H      -0.355165     -0.929783      2.040029
  H       0.502746      0.521990      2.640230
  H      -5.219535      2.942816      0.263134
  H      -4.283569      2.967978     -4.223799
  H      -2.444284      2.041705     -5.643551
  H      -0.596287      0.742447     -4.604818
  H      -0.565929      0.317729     -2.169387
  H      -5.206441      0.453944      5.347358
  H      -4.828139     -1.112349      6.108410
  H      -6.986578     -0.213305      6.892210
  H      -5.842289     -0.350653      8.256220
  H      -5.790936      5.426995     10.089115
  H      -8.713782      7.911878      7.582425
  H     -10.406258      7.388333      5.816601
  H     -10.757785      5.032680      5.085746
  H      -9.435963      3.196676      6.079933
  N      -3.630731      2.071643      4.053460
  N      -3.054184      2.797745      2.937483
  H      -3.418220      3.777526      2.952741
  H      -2.021060      2.823075      2.996351
  H      -3.288218      2.328848      2.006953
100
Coordinates from ORCA-job orca E -6707.595154421145
  N      -2.460163      3.665004      6.415988
  Mo     -2.692621      1.851185      5.632377
  N      -3.634551      0.537163      6.703302
  C      -3.003268     -0.124214      7.848374
  C      -2.016534      0.821794      8.514789
  N      -1.180070      1.500104      7.497890
  C      -0.700245      2.842776      7.922364
  C      -1.083433      3.880030      6.854199
  C      -0.111186      0.641019      6.951994
  C       0.168408      1.061906      5.511292
  N      -1.092148      1.069230      4.752862
  H      -0.403901      3.803695      5.991197
  H      -0.952572      4.900657      7.254936
  H       0.386404      2.831252      8.107530
  H      -1.193673      3.099617      8.869482
  H       0.893185      0.367980      5.055853
  H       0.637164      2.057911      5.490126
  H      -0.474308     -0.397162      6.952020
  H       0.798416      0.685756      7.577197
  H      -3.755140     -0.412606      8.601032
  H      -2.515293     -1.061218      7.518559
  H      -2.588915      1.600917      9.035518
  H      -1.402085      0.290259      9.263699
  C      -3.488027      4.359435      7.199020
  C      -4.266912      5.427277      6.442610
  O      -5.356050      4.800334      5.695816
  C      -5.226657      4.679371      4.379252
  O      -4.305558      5.154831      3.716385
  C      -6.347980      3.874963      3.768682
  N      -6.860148      2.912681      4.520372
  C      -7.778205      2.099770      3.940271
  N      -8.215126      2.150129      2.696099
  C      -7.734153      3.165076      1.922360
  C      -8.199804      3.288592      0.589329
  C      -7.754163      4.323418     -0.204074
  C      -6.834455      5.273537      0.302542
  C      -6.347495      5.172017      1.589296
  C      -6.773953      4.107614      2.426994
  C      -1.221385     -0.071157      3.836874
  C      -0.473845      0.066205      2.515799
  O      -1.250028      0.913570      1.614772
  C      -1.499335      0.418838      0.381326
  O      -1.031361     -0.608350     -0.068439
  C      -2.484017      1.275575     -0.380359
  N      -3.454424      1.845588      0.328234
  C      -4.419041      2.521268     -0.352025
  N      -4.481463      2.702594     -1.653357
  C      -3.471110      2.167179     -2.398284
  C      -3.475903      2.370471     -3.799072
  C      -2.461939      1.847974     -4.572165
  C      -1.410395      1.105784     -3.979870
  C      -1.380612      0.879798     -2.620938
  C      -2.409737      1.404646     -1.795852
  C      -4.918966     -0.024174      6.282223
  C      -6.043162      0.158454      7.293145
  O      -6.176142      1.562118      7.616326
  C      -7.413055      2.095391      7.541441
  O      -8.416813      1.491272      7.208181
  C      -7.398773      3.544167      7.963893
  N      -6.521283      3.867607      8.904635
  C      -6.493702      5.166495      9.297997
  N      -7.195201      6.166661      8.801491
  C      -8.097659      5.850923      7.826334
  C      -8.866390      6.890357      7.247328
  C      -9.795832      6.598012      6.272896
  C      -9.996981      5.262134      5.848744
  C      -9.262276      4.228860      6.390400
  C      -8.284146      4.498307      7.382155
  H      -3.009322      4.861195      8.058938
  H      -4.216723      3.651412      7.630038
  H      -3.629744      5.994604      5.753812
  H      -4.772822      6.103566      7.143377
  H      -8.186066      1.315446      4.584879
  H      -8.919317      2.551972      0.230416
  H      -8.113895      4.417918     -1.229528
  H      -6.503459      6.093021     -0.336723
  H      -5.634314      5.901542      1.967740
  H      -2.283353     -0.245020      3.612585
  H      -0.847586     -0.989422      4.327976
  H      -0.340458     -0.912990      2.039061
  H       0.507869      0.544535      2.639321
  H      -5.217927      2.952407      0.256445
  H      -4.293502      2.948239     -4.230907
  H      -2.463710      2.006148     -5.651653
  H      -0.616464      0.706417     -4.612213
  H      -0.577158      0.297676     -2.173955
  H      -5.204666      0.458612      5.337230
  H      -4.823642     -1.110699      6.090913
  H      -6.986133     -0.218782      6.875764
  H      -5.844355     -0.363410      8.240354
  H      -5.792649      5.402425     10.104626
  H      -8.701366      7.908203      7.602421
  H     -10.389759      7.398625      5.829043
  H     -10.745844      5.047747      5.084790
  H      -9.431540      3.202951      6.073196
  N      -3.622794      2.082821      4.051949
  N      -3.046963      2.808763      2.937883
  H      -3.412006      3.788324      2.953307
  H      -2.014331      2.837410      2.994397
  H      -3.281580      2.338885      2.007964
100
Coordinates from ORCA-job orca E -6707.595197936584
  N      -2.452956      3.668598      6.422440
  Mo     -2.679864      1.855276      5.634511
  N      -3.633774      0.541890      6.695570
  C      -3.007489     -0.122229      7.842547
  C      -2.024051      0.822223      8.515864
  N      -1.181840      1.501023      7.503228
  C      -0.700496      2.841860      7.934069
  C      -1.078116      3.881707      6.866998
  C      -0.108455      0.640711      6.965177
  C       0.179159      1.060763      5.525867
  N      -1.077483      1.069091      4.761519
  H      -0.395503      3.806321      6.006338
  H      -0.947496      4.901301      7.270500
  H       0.385506      2.827391      8.122060
  H      -1.196129      3.097208      8.880499
  H       0.905947      0.365973      5.074787
  H       0.649435      2.056267      5.506917
  H      -0.471569     -0.397422      6.963760
  H       0.796202      0.686971      7.597077
  H      -3.762916     -0.412769      8.590763
  H      -2.517877     -1.058309      7.512430
  H      -2.599194      1.601455      9.033418
  H      -1.412937      0.290455      9.267102
  C      -3.484311      4.361141      7.201870
  C      -4.264651      5.425657      6.442287
  O      -5.352373      4.795586      5.695135
  C      -5.223520      4.679799      4.377896
  O      -4.303975      5.160816      3.716758
  C      -6.343142      3.875880      3.763437
  N      -6.851123      2.906269      4.508559
  C      -7.768120      2.095430      3.923565
  N      -8.207742      2.154562      2.680850
  C      -7.730646      3.176205      1.913584
  C      -8.198704      3.308146      0.582329
  C      -7.755450      4.349412     -0.204027
  C      -6.837399      5.297949      0.308135
  C      -6.348794      5.188795      1.593719
  C      -6.771922      4.117138      2.424029
  C      -1.203184     -0.066998      3.840199
  C      -0.461117      0.081161      2.517240
  O      -1.248859      0.921115      1.618889
  C      -1.503584      0.420812      0.387851
  O      -1.031071     -0.605128     -0.059092
  C      -2.492078      1.271879     -0.373916
  N      -3.456342      1.849975      0.336793
  C      -4.419274      2.530079     -0.342728
  N      -4.487608      2.704609     -1.644035
  C      -3.485109      2.158736     -2.392142
  C      -3.496876      2.353856     -3.793421
  C      -2.490725      1.821174     -4.568548
  C      -1.439336      1.077523     -3.977185
  C      -1.401031      0.859523     -2.616908
  C      -2.424546      1.394599     -1.790567
  C      -4.915196     -0.020682      6.268138
  C      -6.041279      0.152644      7.278833
  O      -6.177668      1.553420      7.611559
  C      -7.413784      2.086211      7.533342
  O      -8.416169      1.482911      7.194246
  C      -7.401226      3.534705      7.958805
  N      -6.525342      3.856816      8.901427
  C      -6.499080      5.155117      9.297253
  N      -7.198174      6.156258      8.799730
  C      -8.098980      5.841965      7.822555
  C      -8.866147      6.882309      7.243161
  C      -9.794037      6.591255      6.266922
  C      -9.995280      5.255928      5.841028
  C      -9.261992      4.221815      6.383062
  C      -8.285621      4.489816      7.376932
  H      -3.009115      4.865210      8.062364
  H      -4.213228      3.652592      7.631912
  H      -3.628327      5.993117      5.752758
  H      -4.773296      6.102541      7.140575
  H      -8.171884      1.304058      4.561934
  H      -8.917387      2.573103      0.218657
  H      -8.115696      4.450896     -1.228652
  H      -6.509376      6.122846     -0.325698
  H      -5.637138      5.917714      1.975913
  H      -2.264893     -0.247293      3.619349
  H      -0.823023     -0.985286      4.326326
  H      -0.317347     -0.895404      2.038186
  H       0.514767      0.571561      2.639764
  H      -5.210700      2.970950      0.268539
  H      -4.314062      2.933488     -4.223598
  H      -2.497427      1.972394     -5.649020
  H      -0.650972      0.670158     -4.611381
  H      -0.597016      0.277808     -2.171012
  H      -5.200860      0.466850      5.325605
  H      -4.816795     -1.105840      6.070801
  H      -6.983361     -0.224248      6.858933
  H      -5.842624     -0.375301      8.222701
  H      -5.797376      5.390040     10.103585
  H      -8.701382      7.899835      7.599277
  H     -10.386635      7.392596      5.822558
  H     -10.742912      5.042955      5.075495
  H      -9.430765      3.196232      6.064611
  N      -3.605144      2.095424      4.050669
  N      -3.040244      2.819997      2.933881
  H      -3.409537      3.798204      2.944012
  H      -2.007869      2.852987      2.985898
  H      -3.279662      2.347081      2.008880
100
Coordinates from ORCA-job orca E -6707.594828525403
  N      -2.414462      3.669252      6.450801
  Mo     -2.658058      1.866515      5.642596
  N      -3.635002      0.552221      6.680524
  C      -3.021685     -0.129161      7.825309
  C      -2.032199      0.798024      8.513659
  N      -1.176360      1.476499      7.511338
  C      -0.678868      2.806026      7.959848
  C      -1.039303      3.861593      6.903000
  C      -0.108922      0.608329      6.971664
  C       0.190810      1.039584      5.537789
  N      -1.062089      1.069667      4.768271
  H      -0.354357      3.787490      6.043979
  H      -0.897647      4.874948      7.318313
  H       0.406123      2.775192      8.151186
  H      -1.174709      3.057059      8.907283
  H       0.912077      0.341478      5.082881
  H       0.672463      2.029842      5.531252
  H      -0.483677     -0.425550      6.957931
  H       0.791699      0.639220      7.609912
  H      -3.784707     -0.420089      8.565457
  H      -2.539152     -1.066382      7.488101
  H      -2.602072      1.579106      9.034288
  H      -1.430912      0.253185      9.263289
  C      -3.440518      4.364259      7.234260
  C      -4.234344      5.415765      6.471092
  O      -5.328991      4.772546      5.744768
  C      -5.220493      4.654756      4.424981
  O      -4.312231      5.136610      3.749102
  C      -6.339853      3.835903      3.830525
  N      -6.830928      2.867678      4.588381
  C      -7.747930      2.045121      4.020370
  N      -8.203990      2.092260      2.783108
  C      -7.744153      3.111434      2.002437
  C      -8.228539      3.228426      0.675653
  C      -7.802660      4.266755     -0.124057
  C      -6.887276      5.227222      0.370175
  C      -6.383026      5.132744      1.650883
  C      -6.786984      4.063782      2.494415
  C      -1.198031     -0.054707      3.834325
  C      -0.457549      0.104295      2.511122
  O      -1.245248      0.952965      1.619908
  C      -1.509778      0.458456      0.387885
  O      -1.044442     -0.569652     -0.064528
  C      -2.496280      1.321044     -0.366672
  N      -3.441823      1.922119      0.350208
  C      -4.399295      2.615777     -0.325607
  N      -4.481832      2.776330     -1.627826
  C      -3.499090      2.204571     -2.383900
  C      -3.524027      2.383014     -3.787304
  C      -2.533997      1.826534     -4.567365
  C      -1.485478      1.076420     -3.978379
  C      -1.436255      0.876298     -2.616021
  C      -2.443607      1.432469     -1.785721
  C      -4.915308      0.000741      6.235582
  C      -6.053132      0.172387      7.233728
  O      -6.190232      1.571504      7.571717
  C      -7.423071      2.107373      7.473813
  O      -8.421544      1.506614      7.118822
  C      -7.413287      3.558101      7.892153
  N      -6.551175      3.883534      8.846249
  C      -6.527402      5.184458      9.234396
  N      -7.219463      6.183366      8.723098
  C      -8.106229      5.865391      7.734226
  C      -8.863745      6.903617      7.138581
  C      -9.776853      6.608369      6.149715
  C      -9.972239      5.271253      5.726548
  C      -9.247803      4.239184      6.284123
  C      -8.286847      4.511460      7.291734
  H      -2.959059      4.879042      8.084779
  H      -4.162276      3.657210      7.678960
  H      -3.609238      5.977093      5.766548
  H      -4.738299      6.099054      7.166607
  H      -8.140744      1.257772      4.670345
  H      -8.945216      2.485028      0.325371
  H      -8.174156      4.357322     -1.145687
  H      -6.574202      6.049963     -0.273931
  H      -5.673859      5.871374      2.018572
  H      -2.261334     -0.226836      3.614149
  H      -0.823390     -0.980463      4.310403
  H      -0.314634     -0.867890      2.023091
  H       0.518363      0.593431      2.638384
  H      -5.166504      3.088039      0.293672
  H      -4.337638      2.969677     -4.214730
  H      -2.550132      1.964925     -5.649484
  H      -0.708322      0.650786     -4.614481
  H      -0.635148      0.290504     -2.170802
  H      -5.188102      0.496724      5.293718
  H      -4.820398     -1.083363      6.030818
  H      -6.991467     -0.199071      6.800876
  H      -5.868157     -0.361169      8.177203
  H      -5.841255      5.420916     10.053619
  H      -8.704014      7.922655      7.492620
  H     -10.362642      7.407639      5.692740
  H     -10.708488      5.055700      4.950773
  H      -9.411876      3.212187      5.967726
  N      -3.572273      2.139574      4.055487
  N      -3.002987      2.863115      2.943182
  H      -3.373281      3.840819      2.952370
  H      -1.970309      2.898256      3.001463
  H      -3.236747      2.396605      2.011076
100
Coordinates from ORCA-job orca E -6707.595189692890
  N      -2.433975      3.671177      6.435258
  Mo     -2.665844      1.863193      5.635465
  N      -3.633795      0.549078      6.682779
  C      -3.015730     -0.124699      7.829226
  C      -2.032270      0.811409      8.513112
  N      -1.181020      1.491098      7.508301
  C      -0.693499      2.826116      7.950655
  C      -1.060526      3.874633      6.888466
  C      -0.108830      0.627390      6.971950
  C       0.188654      1.053641      5.535975
  N      -1.064025      1.072181      4.765739
  H      -0.373748      3.801355      6.030853
  H      -0.927153      4.890952      7.299295
  H       0.391561      2.803527      8.142952
  H      -1.191493      3.078156      8.896695
  H       0.913989      0.357608      5.084398
  H       0.664130      2.046752      5.524644
  H      -0.477136     -0.408840      6.963432
  H       0.792251      0.666575      7.609272
  H      -3.776527     -0.416709      8.571289
  H      -2.528394     -1.060618      7.495435
  H      -2.606579      1.590843      9.031252
  H      -1.427612      0.272890      9.264712
  C      -3.465092      4.364163      7.214445
  C      -4.250515      5.423739      6.453903
  O      -5.339200      4.787354      5.713086
  C      -5.224959      4.683574      4.392955
  O      -4.319070      5.179480      3.724146
  C      -6.346800      3.877342      3.786045
  N      -6.841463      2.900274      4.530315
  C      -7.762608      2.089823      3.951392
  N      -8.219059      2.156948      2.715131
  C      -7.755587      3.185956      1.949226
  C      -8.241680      3.325621      0.625177
  C      -7.813189      4.374633     -0.159143
  C      -6.892343      5.323130      0.348163
  C      -6.386108      5.206399      1.626209
  C      -6.793822      4.126768      2.453962
  C      -1.191397     -0.057390      3.836224
  C      -0.446890      0.097113      2.514406
  O      -1.236054      0.932947      1.612291
  C      -1.487939      0.427812      0.382121
  O      -1.016075     -0.600743     -0.061084
  C      -2.472327      1.279338     -0.386142
  N      -3.428533      1.874950      0.320255
  C      -4.387091      2.556952     -0.364273
  N      -4.459307      2.714872     -1.666925
  C      -3.466273      2.148254     -2.412271
  C      -3.481667      2.324638     -3.816248
  C      -2.483486      1.771319     -4.588196
  C      -1.437652      1.025325     -3.990932
  C      -1.397018      0.826267     -2.627869
  C      -2.411239      1.381753     -1.804741
  C      -4.913992     -0.008209      6.245034
  C      -6.044555      0.157494      7.252378
  O      -6.183270      1.555575      7.594723
  C      -7.420096      2.086932      7.519882
  O      -8.422890      1.482632      7.183475
  C      -7.407781      3.536570      7.940924
  N      -6.526185      3.863493      8.876613
  C      -6.497993      5.163761      9.266139
  N      -7.203541      6.161382      8.770855
  C      -8.110555      5.842084      7.801117
  C      -8.883286      6.879088      7.223097
  C      -9.816951      6.582756      6.253967
  C     -10.018343      5.245587      5.833983
  C      -9.279546      4.214667      6.374615
  C      -8.297268      4.488105      7.361120
  H      -2.988518      4.871968      8.071898
  H      -4.191712      3.656041      7.649355
  H      -3.618563      5.990963      5.760319
  H      -4.759171      6.101338      7.151615
  H      -8.158186      1.294650      4.590154
  H      -8.962291      2.590718      0.265113
  H      -8.186867      4.482490     -1.178294
  H      -6.576203      6.153974     -0.283943
  H      -5.672363      5.935410      2.004369
  H      -2.253046     -0.235171      3.613035
  H      -0.813577     -0.978633      4.318403
  H      -0.295584     -0.877900      2.034645
  H       0.525582      0.593019      2.641305
  H      -5.166756      3.019583      0.245829
  H      -4.294528      2.907087     -4.250769
  H      -2.492370      1.908385     -5.670544
  H      -0.655236      0.601042     -4.621502
  H      -0.598000      0.241828     -2.176942
  H      -5.195361      0.487098      5.305336
  H      -4.815440     -1.091790      6.039088
  H      -6.985071     -0.216874      6.826907
  H      -5.849000     -0.377069      8.193217
  H      -5.794080      5.401791     10.069673
  H      -8.717991      7.898072      7.574746
  H     -10.414394      7.381096      5.810685
  H     -10.770858      5.028763      5.074323
  H      -9.448481      3.187629      6.060948
  N      -3.582780      2.119364      4.048182
  N      -3.013629      2.841642      2.933403
  H      -3.384911      3.819187      2.940016
  H      -1.981272      2.877873      2.989056
  H      -3.246849      2.367402      2.004477
100
Coordinates from ORCA-job orca E -6707.594453725921
  N      -2.455951      3.672569      6.429993
  Mo     -2.689459      1.863795      5.634393
  N      -3.649063      0.549553      6.690457
  C      -3.025544     -0.125893      7.832073
  C      -2.042104      0.810781      8.514437
  N      -1.195708      1.494421      7.509479
  C      -0.715583      2.831776      7.951059
  C      -1.083933      3.878709      6.887127
  C      -0.123878      0.635131      6.967955
  C       0.168190      1.062383      5.531003
  N      -1.086822      1.078151      4.764113
  H      -0.394620      3.805191      6.031618
  H      -0.953615      4.896213      7.295984
  H       0.369131      2.814476      8.146549
  H      -1.217307      3.082065      8.895516
  H       0.893222      0.367966      5.076621
  H       0.640725      2.056727      5.518010
  H      -0.489640     -0.401984      6.959386
  H       0.780116      0.674764      7.601396
  H      -3.782708     -0.420558      8.576816
  H      -2.537649     -1.060246      7.494813
  H      -2.616165      1.587217      9.037308
  H      -1.434807      0.271027      9.263244
  C      -3.493692      4.377285      7.190126
  C      -4.258324      5.435870      6.406821
  O      -5.334404      4.798975      5.648271
  C      -5.187376      4.662748      4.334547
  O      -4.249179      5.115294      3.679868
  C      -6.312161      3.867694      3.717349
  N      -6.849009      2.922327      4.473795
  C      -7.770428      2.114656      3.891784
  N      -8.186575      2.152887      2.640134
  C      -7.679882      3.150461      1.859897
  C      -8.122318      3.259396      0.517810
  C      -7.653521      4.278312     -0.282474
  C      -6.735372      5.228373      0.227032
  C      -6.270623      5.140945      1.523000
  C      -6.717400      4.089670      2.367030
  C      -1.213550     -0.051261      3.834587
  C      -0.468503      0.105566      2.513503
  O      -1.258738      0.940517      1.613067
  C      -1.505160      0.436958      0.381754
  O      -1.033168     -0.590156     -0.062773
  C      -2.488144      1.290402     -0.381253
  N      -3.439754      1.882396      0.334369
  C      -4.401890      2.569632     -0.338143
  N      -4.480510      2.738766     -1.639733
  C      -3.491227      2.177772     -2.392980
  C      -3.514431      2.367337     -3.795261
  C      -2.520203      1.821722     -4.577407
  C      -1.471772      1.070980     -3.992097
  C      -1.423206      0.857859     -2.631036
  C      -2.433304      1.405242     -1.796965
  C      -4.934943     -0.003002      6.263772
  C      -6.051918      0.160111      7.286184
  O      -6.183160      1.557394      7.635879
  C      -7.423172      2.086382      7.597677
  O      -8.435080      1.477908      7.298090
  C      -7.400324      3.537715      8.010131
  N      -6.493443      3.870994      8.918918
  C      -6.453987      5.174103      9.297426
  N      -7.171367      6.168748      8.813026
  C      -8.104440      5.842742      7.870643
  C      -8.890812      6.876158      7.304736
  C      -9.849204      6.573776      6.361870
  C     -10.062299      5.233690      5.957378
  C      -9.311301      4.205972      6.487265
  C      -8.304036      4.485644      7.446570
  H      -3.026183      4.889252      8.050128
  H      -4.230903      3.676800      7.619180
  H      -3.609067      5.994008      5.721919
  H      -4.775681      6.121957      7.089761
  H      -8.202102      1.347760      4.541689
  H      -8.843454      2.525245      0.157065
  H      -7.995747      4.362328     -1.314851
  H      -6.389209      6.037828     -0.417037
  H      -5.561949      5.873416      1.904107
  H      -2.274979     -0.227051      3.609572
  H      -0.835452     -0.973031      4.315370
  H      -0.315460     -0.868941      2.033176
  H       0.503209      0.602742      2.640680
  H      -5.180299      3.025763      0.277912
  H      -4.329620      2.953524     -4.220205
  H      -2.534849      1.968763     -5.658351
  H      -0.692572      0.653957     -4.631381
  H      -0.621538      0.268309     -2.190947
  H      -5.225157      0.497679      5.329697
  H      -4.841435     -1.086006      6.052163
  H      -6.998326     -0.210547      6.870827
  H      -5.844048     -0.378941      8.221858
  H      -5.724295      5.419205     10.075369
  H      -8.714963      7.897621      7.643874
  H     -10.456716      7.369514      5.927743
  H     -10.833670      5.011690      5.218399
  H      -9.489636      3.176878      6.185580
  N      -3.610216      2.113601      4.051885
  N      -3.044902      2.851621      2.939988
  H      -3.420493      3.826303      2.953320
  H      -2.012741      2.889383      2.999855
  H      -3.276832      2.377383      2.012932
100
Coordinates from ORCA-job orca E -6707.595199507146
  N      -2.466175      3.669713      6.440820
  Mo     -2.682846      1.860748      5.639370
  N      -3.636239      0.538137      6.689852
  C      -3.010308     -0.133035      7.833226
  C      -2.033827      0.810257      8.517090
  N      -1.190365      1.500013      7.512978
  C      -0.717397      2.839609      7.956155
  C      -1.094817      3.885712      6.894856
  C      -0.111262      0.648178      6.973072
  C       0.179892      1.079253      5.537292
  N      -1.074204      1.086409      4.769058
  H      -0.406817      3.819976      6.037635
  H      -0.971815      4.902936      7.306598
  H       0.367765      2.828487      8.149224
  H      -1.218560      3.085428      8.902129
  H       0.910807      0.390674      5.083389
  H       0.645393      2.077009      5.526280
  H      -0.469539     -0.391515      6.963253
  H       0.791006      0.694419      7.608409
  H      -3.766928     -0.432861      8.576413
  H      -2.515718     -1.064112      7.496626
  H      -2.613881      1.583086      9.038678
  H      -1.423569      0.274943      9.266602
  C      -3.504644      4.353926      7.218954
  C      -4.293374      5.412635      6.460500
  O      -5.370791      4.772476      5.707165
  C      -5.243212      4.677853      4.388072
  O      -4.333279      5.183264      3.732099
  C      -6.351575      3.865094      3.764810
  N      -6.857206      2.889640      4.504164
  C      -7.764242      2.073221      3.911509
  N      -8.194773      2.131030      2.665442
  C      -7.719388      3.157613      1.903603
  C      -8.177440      3.287356      0.568594
  C      -7.735886      4.332663     -0.213283
  C      -6.828659      5.287217      0.307367
  C      -6.349592      5.180228      1.596635
  C      -6.772178      4.105281      2.422711
  C      -1.191626     -0.043301      3.838948
  C      -0.450369      0.122031      2.517135
  O      -1.250898      0.950501      1.619325
  C      -1.498919      0.443820      0.389651
  O      -1.018266     -0.579400     -0.055359
  C      -2.493914      1.286454     -0.372256
  N      -3.449867      1.871970      0.343224
  C      -4.419966      2.546619     -0.331191
  N      -4.503341      2.707974     -1.633238
  C      -3.510330      2.153238     -2.387092
  C      -3.537894      2.335253     -3.790233
  C      -2.540211      1.794603     -4.571708
  C      -1.483662      1.055782     -3.985160
  C      -1.430946      0.850501     -2.623210
  C      -2.443945      1.393678     -1.790043
  C      -4.916423     -0.022772      6.256891
  C      -6.044111      0.141906      7.267118
  O      -6.176376      1.539768      7.613444
  C      -7.409509      2.079272      7.533746
  O      -8.413069      1.483923      7.183920
  C      -7.390472      3.526520      7.961725
  N      -6.528211      3.839015      8.920081
  C      -6.495896      5.136637      9.317656
  N      -7.177029      6.144825      8.809717
  C      -8.063108      5.840666      7.816119
  C      -8.809326      6.889385      7.224563
  C      -9.721164      6.608956      6.230232
  C      -9.926349      5.276453      5.797561
  C      -9.213598      4.234237      6.351394
  C      -8.254400      4.491038      7.364806
  H      -3.033791      4.861056      8.079959
  H      -4.228166      3.639502      7.648561
  H      -3.660984      5.989596      5.775313
  H      -4.811605      6.081517      7.159563
  H      -8.167834      1.278318      4.545631
  H      -8.887582      2.547403      0.198126
  H      -8.088769      4.432573     -1.240627
  H      -6.501200      6.114764     -0.323333
  H      -5.645120      5.912825      1.985319
  H      -2.251723     -0.229655      3.615848
  H      -0.804195     -0.961701      4.318789
  H      -0.288614     -0.850287      2.035222
  H       0.516411      0.629025      2.643445
  H      -5.202721      2.995578      0.285159
  H      -4.359281      2.911803     -4.216441
  H      -2.558389      1.936168     -5.653352
  H      -0.702106      0.641760     -4.623537
  H      -0.623639      0.270399     -2.181227
  H      -5.201294      0.472857      5.318466
  H      -4.816970     -1.106117      6.049987
  H      -6.986346     -0.227867      6.841467
  H      -5.848417     -0.396381      8.205817
  H      -5.806062      5.363716     10.136414
  H      -8.641171      7.904533      7.585830
  H     -10.297798      7.416406      5.776059
  H     -10.660826      5.072189      5.017058
  H      -9.385509      3.210991      6.026834
  N      -3.605244      2.105548      4.054850
  N      -3.046667      2.839187      2.939207
  H      -3.428563      3.812638      2.950454
  H      -2.014710      2.884648      2.992806
  H      -3.278044      2.363703      2.012036
100
Coordinates from ORCA-job orca E -6707.594826788745
  N      -2.384127      3.682445      6.421458
  Mo     -2.639517      1.878360      5.620181
  N      -3.631141      0.579521      6.664840
  C      -3.026054     -0.103025      7.813355
  C      -2.033148      0.819676      8.501459
  N      -1.167423      1.486252      7.500132
  C      -0.661779      2.814272      7.943208
  C      -1.009560      3.867199      6.878796
  C      -0.105823      0.606941      6.968599
  C       0.203338      1.028035      5.533557
  N      -1.046080      1.062886      4.758659
  H      -0.320696      3.783590      6.023822
  H      -0.863994      4.881773      7.289669
  H       0.422182      2.775595      8.139101
  H      -1.158878      3.074659      8.887475
  H       0.920335      0.321468      5.085059
  H       0.692565      2.014463      5.523247
  H      -0.488596     -0.423979      6.959418
  H       0.793475      0.634007      7.609113
  H      -3.793587     -0.386097      8.551919
  H      -2.549398     -1.044663      7.480376
  H      -2.598596      1.607458      9.016626
  H      -1.439714      0.272845      9.256086
  C      -3.406252      4.388414      7.200392
  C      -4.186131      5.448418      6.436521
  O      -5.280191      4.811580      5.704600
  C      -5.172193      4.698469      4.384852
  O      -4.263998      5.181139      3.709572
  C      -6.301672      3.895046      3.788427
  N      -6.790690      2.917858      4.536162
  C      -7.719873      2.110791      3.965718
  N      -8.190499      2.181982      2.734950
  C      -7.733967      3.212197      1.966637
  C      -8.238057      3.358514      0.649989
  C      -7.818256      4.409878     -0.135923
  C      -6.887095      5.353285      0.362158
  C      -6.362931      5.229570      1.632293
  C      -6.763005      4.148501      2.461890
  C      -1.184691     -0.065664      3.829486
  C      -0.433970      0.079618      2.510051
  O      -1.214108      0.918189      1.602466
  C      -1.470241      0.407567      0.375601
  O      -1.009747     -0.629103     -0.060436
  C      -2.446421      1.264366     -0.397936
  N      -3.393869      1.876003      0.306756
  C      -4.349885      2.559308     -0.379415
  N      -4.426942      2.705252     -1.683129
  C      -3.443182      2.121633     -2.427723
  C      -3.464434      2.283663     -3.833404
  C      -2.476693      1.711022     -4.605092
  C      -1.437089      0.957982     -4.006297
  C      -1.391539      0.772030     -2.641457
  C      -2.393382      1.349231     -1.818148
  C      -4.910914      0.030225      6.214695
  C      -6.051755      0.191709      7.211679
  O      -6.205566      1.588390      7.554075
  C      -7.449811      2.102917      7.478197
  O      -8.444596      1.481893      7.148688
  C      -7.465741      3.541868      7.933839
  N      -6.582405      3.866682      8.868696
  C      -6.582616      5.156754      9.291756
  N      -7.318895      6.148438      8.830387
  C      -8.229329      5.831173      7.863256
  C      -9.035731      6.862446      7.322133
  C      -9.974202      6.567020      6.357380
  C     -10.147228      5.236179      5.905817
  C      -9.375256      4.211172      6.410050
  C      -8.386631      4.484719      7.390027
  H      -2.921860      4.897053      8.052916
  H      -4.136885      3.688954      7.642416
  H      -3.552929      6.006944      5.737023
  H      -4.688102      6.133758      7.131541
  H      -8.108815      1.313731      4.606323
  H      -8.965727      2.627132      0.297035
  H      -8.205972      4.522937     -1.149211
  H      -6.576766      6.185208     -0.271405
  H      -5.640267      5.953356      2.003175
  H      -2.247691     -0.230130      3.602750
  H      -0.819710     -0.990848      4.313840
  H      -0.287338     -0.897725      2.033619
  H       0.541097      0.569637      2.639556
  H      -5.125790      3.029378      0.230012
  H      -4.273077      2.870732     -4.269511
  H      -2.490070      1.837502     -5.688693
  H      -0.663498      0.517319     -4.636514
  H      -0.598150      0.180968     -2.189232
  H      -5.182671      0.529455      5.274210
  H      -4.813277     -1.052704      6.004994
  H      -6.986031     -0.188128      6.777426
  H      -5.862440     -0.342754      8.153835
  H      -5.873388      5.392615     10.091125
  H      -8.891779      7.875836      7.698461
  H     -10.597889      7.360535      5.942492
  H     -10.904304      5.019431      5.150660
  H      -9.522389      3.188476      6.072269
  N      -3.549545      2.144294      4.030216
  N      -2.969763      2.853558      2.912187
  H      -3.327340      3.836304      2.914701
  H      -1.937261      2.876438      2.965780
  H      -3.208249      2.377952      1.984427
100
Coordinates from ORCA-job orca E -6707.595221735486
  N      -2.440746      3.671079      6.436821
  Mo     -2.666337      1.864475      5.633039
  N      -3.634941      0.547516      6.676508
  C      -3.017988     -0.128819      7.822159
  C      -2.039516      0.807887      8.511974
  N      -1.186168      1.492522      7.512475
  C      -0.705071      2.828011      7.959790
  C      -1.070409      3.877727      6.898079
  C      -0.109857      0.633491      6.977775
  C       0.190782      1.063516      5.543597
  N      -1.059898      1.078663      4.769870
  H      -0.378656      3.808142      6.044152
  H      -0.942607      4.893658      7.311444
  H       0.379227      2.808455      8.156772
  H      -1.207858      3.076396      8.904233
  H       0.919395      0.370684      5.092455
  H       0.662586      2.058352      5.535384
  H      -0.474740     -0.403856      6.965672
  H       0.789365      0.674045      7.617709
  H      -3.780220     -0.425466      8.560845
  H      -2.527133     -1.062124      7.486323
  H      -2.617482      1.584416      9.030368
  H      -1.436632      0.268554      9.264531
  C      -3.479020      4.363593      7.207009
  C      -4.268364      5.410724      6.433794
  O      -5.351393      4.762400      5.694715
  C      -5.235360      4.654663      4.374674
  O      -4.324025      5.141783      3.707025
  C      -6.364489      3.858857      3.766306
  N      -6.864549      2.881271      4.506288
  C      -7.791442      2.079397      3.925026
  N      -8.249292      2.155107      2.689744
  C      -7.782201      3.186172      1.929142
  C      -8.272197      3.336464      0.607668
  C      -7.843707      4.389526     -0.170949
  C      -6.918902      5.332122      0.340335
  C      -6.408200      5.204697      1.615528
  C      -6.814701      4.119540      2.436996
  C      -1.179784     -0.048931      3.837223
  C      -0.429757      0.113958      2.519470
  O      -1.221395      0.944686      1.615005
  C      -1.469882      0.434432      0.386618
  O      -0.996058     -0.595384     -0.051963
  C      -2.455436      1.282858     -0.383984
  N      -3.409002      1.882994      0.322618
  C      -4.370969      2.559892     -0.362234
  N      -4.449306      2.708379     -1.666124
  C      -3.458942      2.137561     -2.411987
  C      -3.479697      2.304690     -3.817173
  C      -2.482499      1.748452     -4.589024
  C      -1.433241      1.008616     -3.990513
  C      -1.388492      0.818695     -2.626224
  C      -2.400698      1.376695     -1.803308
  C      -4.915839     -0.006807      6.237368
  C      -6.045006      0.154521      7.246856
  O      -6.177894      1.550377      7.600701
  C      -7.412910      2.086855      7.531213
  O      -8.417700      1.489616      7.188090
  C      -7.394967      3.534093      7.959058
  N      -6.519993      3.851543      8.904188
  C      -6.490291      5.149208      9.302312
  N      -7.188826      6.152419      8.808361
  C      -8.088494      5.842983      7.828662
  C      -8.853183      6.886530      7.251686
  C      -9.779191      6.600002      6.272274
  C      -9.980499      5.266498      5.840710
  C      -9.249594      4.229389      6.380207
  C      -8.275434      4.492792      7.377428
  H      -3.007706      4.882289      8.060780
  H      -4.202228      3.654693      7.646503
  H      -3.637399      5.975343      5.737183
  H      -4.782346      6.092019      7.123929
  H      -8.190496      1.282978      4.560031
  H      -8.996668      2.606601      0.245056
  H      -8.221322      4.505988     -1.187684
  H      -6.603903      6.167378     -0.286533
  H      -5.693127      5.930409      1.997153
  H      -2.239785     -0.229157      3.608540
  H      -0.800476     -0.969921      4.318519
  H      -0.267012     -0.858741      2.038805
  H       0.537128      0.618857      2.652904
  H      -5.147786      3.026717      0.248552
  H      -4.295161      2.882703     -4.252653
  H      -2.495200      1.878960     -5.672160
  H      -0.651395      0.582036     -4.620213
  H      -0.587453      0.237800     -2.174180
  H      -5.197700      0.494141      5.300916
  H      -4.818565     -1.089327      6.025131
  H      -6.987137     -0.212819      6.818946
  H      -5.850542     -0.388359      8.183160
  H      -5.792915      5.379152     10.113835
  H      -8.687703      7.902291      7.612439
  H     -10.370695      7.403012      5.829479
  H     -10.726835      5.057521      5.072787
  H      -9.418606      3.205229      6.057153
  N      -3.581380      2.119051      4.044447
  N      -3.015577      2.844640      2.929130
  H      -3.394366      3.818477      2.934462
  H      -1.983450      2.888867      2.987224
  H      -3.240235      2.369131      1.998382
100
Coordinates from ORCA-job orca E -6707.594963749838
  N      -2.468940      3.674026      6.454388
  Mo     -2.690362      1.871232      5.639818
  N      -3.655715      0.548102      6.679299
  C      -3.035745     -0.134805      7.819151
  C      -2.057354      0.798828      8.512737
  N      -1.206944      1.491021      7.516210
  C      -0.729101      2.825296      7.970611
  C      -1.098516      3.880827      6.915560
  C      -0.129811      0.637303      6.974865
  C       0.168033      1.075113      5.542325
  N      -1.083599      1.092916      4.770318
  H      -0.407457      3.817814      6.060640
  H      -0.973172      4.894711      7.334779
  H       0.355504      2.807434      8.166224
  H      -1.231254      3.066747      8.917206
  H       0.896851      0.385459      5.086627
  H       0.638486      2.070614      5.538492
  H      -0.492651     -0.400678      6.958045
  H       0.770562      0.676041      7.613378
  H      -3.795714     -0.437021      8.557930
  H      -2.544450     -1.065399      7.476496
  H      -2.635376      1.570980      9.037550
  H      -1.452220      0.255453      9.260601
  C      -3.508394      4.359876      7.230231
  C      -4.295574      5.418811      6.470018
  O      -5.367647      4.775428      5.711919
  C      -5.246894      4.700434      4.390974
  O      -4.352827      5.232959      3.734672
  C      -6.327530      3.849950      3.770031
  N      -6.807143      2.868110      4.518248
  C      -7.684448      2.016285      3.930802
  N      -8.104907      2.042734      2.680249
  C      -7.654144      3.072514      1.907376
  C      -8.099706      3.165352      0.565157
  C      -7.681784      4.210960     -0.229139
  C      -6.813403      5.203654      0.286481
  C      -6.347941      5.134300      1.583220
  C      -6.744152      4.058732      2.421512
  C      -1.202589     -0.027672      3.829137
  C      -0.460414      0.148160      2.508659
  O      -1.263700      0.974996      1.611317
  C      -1.513013      0.466886      0.382079
  O      -1.035547     -0.557782     -0.061590
  C      -2.502840      1.312694     -0.382287
  N      -3.450888      1.910487      0.333541
  C      -4.415880      2.593980     -0.338977
  N      -4.501598      2.753005     -1.640603
  C      -3.518208      2.183816     -2.395480
  C      -3.549560      2.363213     -3.798655
  C      -2.562273      1.808690     -4.582944
  C      -1.513112      1.057750     -3.999338
  C      -1.456079      0.853729     -2.637061
  C      -2.458581      1.412261     -1.800410
  C      -4.936530     -0.005181      6.239017
  C      -6.064182      0.153700      7.249977
  O      -6.190373      1.548772      7.609070
  C      -7.420783      2.094984      7.535199
  O      -8.428890      1.506889      7.186096
  C      -7.392258      3.540003      7.969733
  N      -6.527204      3.842517      8.928796
  C      -6.486701      5.137985      9.332707
  N      -7.160434      6.153126      8.828673
  C      -8.047838      5.859561      7.833054
  C      -8.786012      6.916083      7.245265
  C      -9.699350      6.646337      6.249347
  C      -9.914144      5.317100      5.811280
  C      -9.209417      4.267444      6.361349
  C      -8.248935      4.513165      7.376322
  H      -3.038668      4.866514      8.092053
  H      -4.233743      3.646378      7.658482
  H      -3.661846      5.997943      5.787959
  H      -4.817964      6.085916      7.167738
  H      -8.069823      1.219239      4.573467
  H      -8.781027      2.396760      0.198871
  H      -8.025384      4.282654     -1.262004
  H      -6.506608      6.031918     -0.353661
  H      -5.675164      5.897899      1.968598
  H      -2.262888     -0.210074      3.603898
  H      -0.817103     -0.950874      4.301131
  H      -0.291160     -0.820917      2.022942
  H       0.502507      0.661264      2.639083
  H      -5.192068      3.053014      0.278215
  H      -4.365488      2.949105     -4.222591
  H      -2.583331      1.948431     -5.664763
  H      -0.739917      0.632354     -4.640382
  H      -0.654465      0.263584     -2.198077
  H      -5.218919      0.500293      5.305140
  H      -4.840272     -1.086906      6.022166
  H      -7.007696     -0.208270      6.820502
  H      -5.871103     -0.394394      8.183574
  H      -5.796317      5.356597     10.153372
  H      -8.610376      7.928466      7.610724
  H     -10.269793      7.459751      5.798002
  H     -10.649775      5.121310      5.029682
  H      -9.388873      3.246841      6.032853
  N      -3.610367      2.131185      4.056750
  N      -3.053377      2.867816      2.943439
  H      -3.430926      3.842642      2.959789
  H      -2.021493      2.908651      2.993022
  H      -3.289567      2.395304      2.016564
100
Coordinates from ORCA-job orca E -6707.595288914979
  N      -2.442925      3.671722      6.444033
  Mo     -2.665747      1.867067      5.634868
  N      -3.635093      0.547945      6.675378
  C      -3.018958     -0.131366      7.819603
  C      -2.041427      0.803676      8.512862
  N      -1.187265      1.491338      7.516261
  C      -0.708317      2.826329      7.967148
  C      -1.073328      3.878336      6.907404
  C      -0.109743      0.634693      6.980544
  C       0.192092      1.068147      5.547636
  N      -1.057720      1.084247      4.772585
  H      -0.380414      3.811278      6.054262
  H      -0.947212      4.893434      7.323354
  H       0.375758      2.807543      8.165561
  H      -1.212597      3.072037      8.911501
  H       0.921617      0.376760      5.095749
  H       0.663147      2.063361      5.542078
  H      -0.473675     -0.402944      6.965675
  H       0.788940      0.674393      7.621338
  H      -3.781490     -0.430518      8.556956
  H      -2.527313     -1.063459      7.481566
  H      -2.620138      1.578412      9.033096
  H      -1.439164      0.262331      9.264508
  C      -3.482568      4.360690      7.215927
  C      -4.272765      5.410098      6.446772
  O      -5.350216      4.760993      5.700883
  C      -5.232173      4.666350      4.380481
  O      -4.328381      5.173165      3.717233
  C      -6.349565      3.860023      3.764855
  N      -6.848592      2.880862      4.503581
  C      -7.763816      2.069848      3.916392
  N      -8.208682      2.136402      2.675783
  C      -7.741050      3.167648      1.915494
  C      -8.215960      3.307494      0.587418
  C      -7.784363      4.358731     -0.191996
  C      -6.871016      5.309589      0.324753
  C      -6.375518      5.192778      1.606924
  C      -6.786710      4.110822      2.429825
  C      -1.175280     -0.040358      3.836325
  C      -0.427970      0.130055      2.518172
  O      -1.226928      0.956602      1.616790
  C      -1.476170      0.444791      0.389276
  O      -0.998507     -0.582256     -0.050274
  C      -2.467823      1.288072     -0.377368
  N      -3.416407      1.888435      0.335778
  C      -4.384381      2.563734     -0.341077
  N      -4.473333      2.711148     -1.644314
  C      -3.488954      2.139665     -2.397007
  C      -3.522716      2.305483     -3.801983
  C      -2.533349      1.748111     -4.582423
  C      -1.479500      1.007781     -3.993007
  C      -1.421349      0.817972     -2.629018
  C      -2.425342      1.378610     -1.796769
  C      -4.914610     -0.006593      6.232265
  C      -6.047778      0.155613      7.237041
  O      -6.182194      1.552158      7.587885
  C      -7.416697      2.088963      7.511105
  O      -8.421483      1.489297      7.172421
  C      -7.401867      3.533037      7.949736
  N      -6.530103      3.844008      8.899978
  C      -6.502073      5.138742      9.307521
  N      -7.197061      6.145842      8.816469
  C      -8.092859      5.843372      7.831058
  C      -8.853996      6.891336      7.257420
  C      -9.776007      6.612158      6.272152
  C      -9.976689      5.281697      5.831085
  C      -9.249341      4.240370      6.367302
  C      -8.279449      4.496161      7.370699
  H      -3.012204      4.876818      8.071714
  H      -4.205008      3.649335      7.652547
  H      -3.641527      5.980555      5.755172
  H      -4.790871      6.085981      7.139280
  H      -8.162318      1.272094      4.550196
  H      -8.931169      2.570734      0.220361
  H      -8.150351      4.466792     -1.213909
  H      -6.552669      6.142699     -0.303307
  H      -5.667937      5.923859      1.992718
  H      -2.235036     -0.222420      3.608135
  H      -0.792647     -0.962047      4.313576
  H      -0.258905     -0.840542      2.035428
  H       0.535297      0.641929      2.651005
  H      -5.159908      3.026012      0.274781
  H      -4.341917      2.883459     -4.230433
  H      -2.556254      1.877582     -5.665501
  H      -0.704371      0.580040     -4.630162
  H      -0.616592      0.236270     -2.184610
  H      -5.192902      0.494240      5.294725
  H      -4.816879     -1.089212      6.020713
  H      -6.988036     -0.212081      6.805304
  H      -5.857561     -0.386444      8.174686
  H      -5.804514      5.364000     10.120181
  H      -8.688830      7.904629      7.625216
  H     -10.364480      7.418738      5.831821
  H     -10.719550      5.078350      5.058303
  H      -9.417707      3.218562      6.036543
  N      -3.581078      2.123400      4.047788
  N      -3.019977      2.854613      2.932944
  H      -3.401094      3.827888      2.942205
  H      -1.988155      2.900480      2.987673
  H      -3.248055      2.378631      2.004190
100
Coordinates from ORCA-job orca E -6707.595278742418
  N      -2.432211      3.675706      6.451710
  Mo     -2.661547      1.875040      5.635278
  N      -3.638496      0.556144      6.668982
  C      -3.025972     -0.130410      7.810974
  C      -2.046161      0.798152      8.509586
  N      -1.187841      1.486226      7.516738
  C      -0.703313      2.817207      7.973712
  C      -1.062419      3.874712      6.917601
  C      -0.112689      0.627133      6.979650
  C       0.192598      1.064366      5.548548
  N      -1.056233      1.087674      4.772169
  H      -0.368767      3.807914      6.065023
  H      -0.932433      4.887615      7.337673
  H       0.380472      2.792680      8.172951
  H      -1.207338      3.061550      8.918562
  H       0.920123      0.371817      5.095191
  H       0.667464      2.057815      5.546935
  H      -0.480507     -0.409064      6.960730
  H       0.785090      0.661453      7.621958
  H      -3.790634     -0.430316      8.545841
  H      -2.537073     -1.062598      7.469224
  H      -2.622811      1.573172      9.031687
  H      -1.446999      0.251753      9.260012
  C      -3.469737      4.365404      7.225717
  C      -4.261197      5.414555      6.457898
  O      -5.339891      4.765733      5.713427
  C      -5.225674      4.677121      4.392063
  O      -4.318388      5.179192      3.729894
  C      -6.339882      3.866282      3.776498
  N      -6.834125      2.884354      4.514698
  C      -7.745924      2.069552      3.927634
  N      -8.192272      2.135136      2.687524
  C      -7.730484      3.169362      1.927826
  C      -8.207484      3.307810      0.600343
  C      -7.782988      4.362533     -0.178234
  C      -6.875642      5.318724      0.339100
  C      -6.377907      5.203320      1.620566
  C      -6.780469      4.116986      2.442248
  C      -1.177170     -0.033719      3.831956
  C      -0.427835      0.136662      2.514276
  O      -1.224715      0.962811      1.610023
  C      -1.475754      0.448945      0.383238
  O      -1.001173     -0.580725     -0.054137
  C      -2.464713      1.293830     -0.386415
  N      -3.409019      1.903984      0.324019
  C      -4.374864      2.579795     -0.355730
  N      -4.465872      2.718315     -1.659642
  C      -3.486652      2.135533     -2.410507
  C      -3.523194      2.290121     -3.816705
  C      -2.538889      1.721112     -4.595275
  C      -1.487328      0.980006     -4.002616
  C      -1.426849      0.801477     -2.637302
  C      -2.425572      1.373681     -1.806923
  C      -4.918889      0.006601      6.222289
  C      -6.050910      0.160311      7.229970
  O      -6.187692      1.553531      7.592527
  C      -7.424624      2.085938      7.526911
  O      -8.426963      1.488451      7.177211
  C      -7.410393      3.533114      7.955422
  N      -6.539525      3.851384      8.903997
  C      -6.513697      5.148826      9.303267
  N      -7.211473      6.151333      8.806851
  C      -8.107274      5.840938      7.823868
  C      -8.871626      6.883492      7.244669
  C      -9.793975      6.595880      6.262119
  C      -9.991895      5.262209      5.829484
  C      -9.261163      4.226067      6.371096
  C      -8.290628      4.490657      7.371498
  H      -2.996992      4.881848      8.079980
  H      -4.191609      3.654795      7.664630
  H      -3.631056      5.984960      5.765286
  H      -4.778270      6.090542      7.151108
  H      -8.141435      1.270486      4.561583
  H      -8.918713      2.567366      0.233007
  H      -8.150327      4.469669     -1.199750
  H      -6.563500      6.154800     -0.288114
  H      -5.675048      5.938643      2.006491
  H      -2.237353     -0.212066      3.602677
  H      -0.798321     -0.957771      4.307609
  H      -0.257485     -0.833910      2.032020
  H       0.534965      0.648848      2.649158
  H      -5.144050      3.053937      0.259118
  H      -4.340475      2.869008     -4.247591
  H      -2.563943      1.841981     -5.679309
  H      -0.715943      0.542798     -4.637891
  H      -0.624021      0.219354     -2.190141
  H      -5.198007      0.514764      5.288933
  H      -4.821735     -1.074367      6.002270
  H      -6.991448     -0.205577      6.797279
  H      -5.858499     -0.388794      8.163060
  H      -5.817811      5.379952     10.115730
  H      -8.708849      7.899381      7.606310
  H     -10.385245      7.398137      5.817651
  H     -10.735454      5.052299      5.059130
  H      -9.427498      3.201707      6.047180
  N      -3.574079      2.142634      4.048025
  N      -3.009800      2.871931      2.934607
  H      -3.390519      3.845347      2.941712
  H      -1.978053      2.918359      2.991627
  H      -3.235110      2.395783      2.004047
100
Coordinates from ORCA-job orca E -6707.595316085171
  N      -2.436854      3.674704      6.449705
  Mo     -2.663400      1.873383      5.633984
  N      -3.637779      0.553445      6.669023
  C      -3.024259     -0.131704      7.811201
  C      -2.046009      0.798656      8.509545
  N      -1.188610      1.487662      7.516770
  C      -0.706854      2.819802      7.972897
  C      -1.067502      3.876035      6.915953
  C      -0.112297      0.630262      6.979825
  C       0.192252      1.067404      5.548611
  N      -1.056656      1.088330      4.772190
  H      -0.373439      3.809650      6.063696
  H      -0.939322      4.889480      7.335266
  H       0.376925      2.797506      8.172539
  H      -1.211618      3.063857      8.917432
  H       0.920817      0.375803      5.095505
  H       0.665428      2.061636      5.546547
  H      -0.478456     -0.406525      6.961238
  H       0.785654      0.666001      7.621876
  H      -3.788413     -0.432564      8.546204
  H      -2.533815     -1.063243      7.469890
  H      -2.623873      1.572931      9.031411
  H      -1.446292      0.253322      9.260342
  C      -3.475801      4.364416      7.222354
  C      -4.265965      5.414448      6.454068
  O      -5.345068      4.767156      5.709041
  C      -5.230644      4.677892      4.387861
  O      -4.324608      5.181498      3.725136
  C      -6.347932      3.871219      3.772442
  N      -6.852612      2.897998      4.515114
  C      -7.767707      2.085781      3.929692
  N      -8.206332      2.144626      2.686469
  C      -7.732788      3.169610      1.921417
  C      -8.200135      3.300224      0.589716
  C      -7.763664      4.345640     -0.194734
  C      -6.853927      5.300514      0.320909
  C      -6.365572      5.192606      1.606610
  C      -6.780000      4.115337      2.434257
  C      -1.175237     -0.033200      3.832195
  C      -0.425896      0.139796      2.515181
  O      -1.224415      0.965488      1.612395
  C      -1.476383      0.451038      0.386363
  O      -1.001968     -0.578527     -0.050904
  C      -2.466031      1.295389     -0.382145
  N      -3.409439      1.905244      0.329846
  C      -4.375893      2.581687     -0.348135
  N      -4.468383      2.721188     -1.651960
  C      -3.489878      2.139107     -2.404108
  C      -3.527789      2.295463     -3.810058
  C      -2.544122      1.727703     -4.590209
  C      -1.491873      0.986134     -3.999467
  C      -1.429924      0.805523     -2.634410
  C      -2.428109      1.376578     -1.802373
  C      -4.917540      0.001999      6.222942
  C      -6.049485      0.156905      7.230220
  O      -6.185431      1.550956      7.589805
  C      -7.421909      2.084222      7.522527
  O      -8.426264      1.484092      7.183335
  C      -7.407445      3.529618      7.956466
  N      -6.534280      3.844717      8.903997
  C      -6.506554      5.141049      9.306578
  N      -7.203844      6.145590      8.813563
  C      -8.101433      5.838607      7.831137
  C      -8.865086      6.883564      7.255344
  C      -9.788736      6.599659      6.272941
  C      -9.988621      5.267368      5.837003
  C      -9.258815      4.228886      6.375395
  C      -8.287307      4.489609      7.375940
  H      -3.003790      4.880877      8.077007
  H      -4.198147      3.653853      7.660605
  H      -3.634744      5.984254      5.761944
  H      -4.782446      6.090973      7.147205
  H      -8.172484      1.294659      4.567726
  H      -8.913661      2.561239      0.223870
  H      -8.123778      4.446608     -1.219452
  H      -6.532623      6.129665     -0.310870
  H      -5.661127      5.927064      1.991408
  H      -2.235036     -0.212881      3.602318
  H      -0.794852     -0.956829      4.307428
  H      -0.253580     -0.829913      2.031877
  H       0.535749      0.653958      2.650622
  H      -5.145473      3.054191      0.267435
  H      -4.345540      2.874733     -4.239529
  H      -2.570302      1.850005     -5.674051
  H      -0.721044      0.550111     -4.636206
  H      -0.626504      0.222891     -2.188871
  H      -5.196842      0.508585      5.288808
  H      -4.819717     -1.079286      6.004743
  H      -6.989954     -0.209407      6.797735
  H      -5.857269     -0.390707      8.164239
  H      -5.808028      5.369780     10.117461
  H      -8.700437      7.898351      7.619232
  H     -10.379240      7.403843      5.830949
  H     -10.732927      5.060348      5.066588
  H      -9.426720      3.205645      6.048844
  N      -3.576909      2.137963      4.047153
  N      -3.014397      2.868518      2.933143
  H      -3.395701      3.841657      2.941886
  H      -1.982676      2.915211      2.989024
  H      -3.240353      2.393006      2.003136
100
Coordinates from ORCA-job orca E -6707.595290189903
  N      -2.448033      3.672790      6.455460
  Mo     -2.667894      1.873604      5.633484
  N      -3.643510      0.549314      6.661657
  C      -3.032727     -0.138045      7.804071
  C      -2.058208      0.791936      8.508237
  N      -1.198541      1.485542      7.520570
  C      -0.721353      2.817414      7.982269
  C      -1.080941      3.876120      6.927380
  C      -0.118570      0.632100      6.984731
  C       0.189590      1.073960      5.555741
  N      -1.056992      1.093856      4.775527
  H      -0.383635      3.814018      6.077441
  H      -0.956819      4.888584      7.350254
  H       0.361825      2.797023      8.185361
  H      -1.229682      3.057489      8.925910
  H       0.921216      0.385388      5.102968
  H       0.660305      2.069337      5.557901
  H      -0.482228     -0.405481      6.962009
  H       0.777268      0.668056      7.629723
  H      -3.798846     -0.442015      8.535661
  H      -2.539772     -1.067918      7.461838
  H      -2.639129      1.563746      9.030367
  H      -1.460235      0.245428      9.259590
  C      -3.492047      4.357770      7.225360
  C      -4.290031      5.397621      6.451806
  O      -5.360199      4.736427      5.706285
  C      -5.243243      4.648341      4.385080
  O      -4.347763      5.170506      3.722362
  C      -6.352774      3.832347      3.767850
  N      -6.840644      2.845572      4.503820
  C      -7.746892      2.025918      3.915152
  N      -8.191415      2.089314      2.674228
  C      -7.735686      3.127624      1.916446
  C      -8.211311      3.263793      0.588185
  C      -7.794585      4.323156     -0.188262
  C      -6.896696      5.286556      0.332273
  C      -6.400115      5.173446      1.614390
  C      -6.794318      4.082319      2.433747
  C      -1.169465     -0.024886      3.831697
  C      -0.416327      0.155734      2.517900
  O      -1.215761      0.980469      1.615077
  C      -1.466052      0.465411      0.389070
  O      -0.989301     -0.563496     -0.047747
  C      -2.457451      1.307684     -0.379962
  N      -3.401587      1.917218      0.331390
  C      -4.369967      2.589913     -0.347500
  N      -4.464141      2.725544     -1.651738
  C      -3.485126      2.143558     -2.403454
  C      -3.524652      2.295504     -3.809950
  C      -2.540261      1.727579     -4.589376
  C      -1.485726      0.990274     -3.997361
  C      -1.422443      0.814372     -2.631816
  C      -2.421037      1.385383     -1.800599
  C      -4.923424      0.001043      6.211907
  C      -6.057961      0.161774      7.215106
  O      -6.183837      1.556714      7.575036
  C      -7.415187      2.101216      7.504449
  O      -8.424971      1.509173      7.167133
  C      -7.389163      3.543886      7.946588
  N      -6.510719      3.847222      8.893104
  C      -6.470740      5.141455      9.301370
  N      -7.161508      6.153919      8.815466
  C      -8.064462      5.859018      7.834256
  C      -8.821312      6.912944      7.265855
  C      -9.750259      6.641284      6.284995
  C      -9.962378      5.312771      5.843345
  C      -9.239387      4.265792      6.374390
  C      -8.262687      4.513811      7.373112
  H      -3.024512      4.881279      8.078181
  H      -4.209256      3.643358      7.665853
  H      -3.662503      5.970899      5.759197
  H      -4.814926      6.071431      7.141278
  H      -8.138206      1.223930      4.548039
  H      -8.915694      2.517863      0.218746
  H      -8.160988      4.428373     -1.210308
  H      -6.590968      6.126448     -0.293007
  H      -5.704981      5.914768      2.002935
  H      -2.227993     -0.206790      3.597730
  H      -0.787890     -0.948946      4.305092
  H      -0.237320     -0.811495      2.032093
  H       0.542009      0.674613      2.658561
  H      -5.139692      3.062716      0.267662
  H      -4.344125      2.871568     -4.240437
  H      -2.567725      1.846571     -5.673559
  H      -0.714336      0.553943     -4.633238
  H      -0.617391      0.234987     -2.185058
  H      -5.198118      0.508357      5.276828
  H      -4.828746     -1.080669      5.994329
  H      -6.999480     -0.197274      6.778861
  H      -5.872997     -0.388077      8.149264
  H      -5.769189      5.360230     10.112402
  H      -8.647267      7.924560      7.634167
  H     -10.335626      7.452310      5.848707
  H     -10.710790      5.115563      5.074333
  H      -9.416877      3.245553      6.043638
  N      -3.578489      2.140717      4.045200
  N      -3.016215      2.874592      2.933416
  H      -3.402148      3.845866      2.942960
  H      -1.984747      2.926594      2.991422
  H      -3.236655      2.400135      2.000914
100
Coordinates from ORCA-job orca E -6707.595330007987
  N      -2.442919      3.677436      6.454977
  Mo     -2.664691      1.878343      5.633238
  N      -3.640632      0.554839      6.662438
  C      -3.029076     -0.133469      7.803827
  C      -2.054194      0.795954      8.508088
  N      -1.194557      1.489283      7.520332
  C      -0.716613      2.820865      7.981825
  C      -1.075566      3.879494      6.926661
  C      -0.115287      0.635406      6.983889
  C       0.192163      1.076783      5.554596
  N      -1.054912      1.096961      4.775135
  H      -0.378480      3.816260      6.076642
  H      -0.950434      4.892042      7.349040
  H       0.366605      2.799873      8.184680
  H      -1.224567      3.061501      8.925535
  H       0.923196      0.387742      5.101578
  H       0.663299      2.071965      5.556142
  H      -0.479340     -0.402040      6.961565
  H       0.781029      0.671024      7.628255
  H      -3.794648     -0.438233      8.535651
  H      -2.536150     -1.062952      7.460488
  H      -2.634679      1.567821      9.030624
  H      -1.456244      0.248949      9.259111
  C      -3.485993      4.364606      7.224262
  C      -4.280977      5.406672      6.450566
  O      -5.352400      4.748799      5.703977
  C      -5.235832      4.662817      4.382685
  O      -4.338810      5.183557      3.720880
  C      -6.347276      3.850370      3.764213
  N      -6.843288      2.868840      4.501851
  C      -7.752129      2.052255      3.912923
  N      -8.190890      2.113014      2.669798
  C      -7.726505      3.146023      1.909978
  C      -8.195632      3.279471      0.579131
  C      -7.770243      4.333764     -0.199517
  C      -6.869829      5.294669      0.321279
  C      -6.379317      5.183921      1.605944
  C      -6.782579      4.097972      2.427692
  C      -1.167923     -0.021468      3.830980
  C      -0.415457      0.159578      2.516742
  O      -1.216791      0.981436      1.613044
  C      -1.469686      0.462497      0.389122
  O      -0.994240     -0.567863     -0.045275
  C      -2.462079      1.302467     -0.380513
  N      -3.403564      1.915391      0.331452
  C      -4.373325      2.586787     -0.346428
  N      -4.471533      2.718082     -1.650771
  C      -3.495685      2.132224     -2.403374
  C      -3.540140      2.279131     -3.810211
  C      -2.559510      1.707020     -4.591083
  C      -1.503940      0.970393     -4.000175
  C      -1.435490      0.799191     -2.634214
  C      -2.430362      1.374795     -1.801404
  C      -4.918962      0.004161      6.211047
  C      -6.054731      0.156632      7.214247
  O      -6.187190      1.549182      7.581014
  C      -7.420635      2.088549      7.507777
  O      -8.424602      1.495930      7.154466
  C      -7.404333      3.528412      7.959568
  N      -6.542706      3.827044      8.922870
  C      -6.514491      5.117923      9.342557
  N      -7.200520      6.132020      8.853369
  C      -8.086186      5.842019      7.855089
  C      -8.837607      6.897866      7.283083
  C      -9.749515      6.630984      6.285075
  C      -9.949468      5.305416      5.829133
  C      -9.231309      4.256680      6.363297
  C      -8.271993      4.499938      7.379886
  H      -3.017372      4.887311      8.076968
  H      -4.204863      3.651910      7.664765
  H      -3.651459      5.978676      5.758703
  H      -4.804333      6.081631      7.140046
  H      -8.150192      1.254700      4.547236
  H      -8.902205      2.535666      0.209580
  H      -8.131682      4.436814     -1.223551
  H      -6.557169      6.130652     -0.305816
  H      -5.681911      5.923066      1.994641
  H      -2.226581     -0.203220      3.597519
  H      -0.786150     -0.945649      4.303947
  H      -0.234088     -0.807673      2.031878
  H       0.541507      0.681114      2.656743
  H      -5.141300      3.061621      0.269290
  H      -4.360421      2.854707     -4.239813
  H      -2.590858      1.822027     -5.675587
  H      -0.735664      0.530605     -4.637437
  H      -0.629495      0.220313     -2.188516
  H      -5.195071      0.513614      5.277584
  H      -4.820646     -1.076490      5.989812
  H      -6.994398     -0.204145      6.775424
  H      -5.868781     -0.397101      8.145919
  H      -5.826337      5.332758     10.166017
  H      -8.673313      7.907028      7.662443
  H     -10.330671      7.443506      5.845952
  H     -10.684442      5.111882      5.046358
  H      -9.399376      3.238579      6.021122
  N      -3.577411      2.145583      4.046461
  N      -3.017819      2.879238      2.933168
  H      -3.404916      3.850152      2.942213
  H      -1.986437      2.932353      2.989238
  H      -3.239546      2.402970      2.002157
100
Coordinates from ORCA-job orca E -6707.595318267399
  N      -2.430144      3.677754      6.456844
  Mo     -2.656465      1.881626      5.629585
  N      -3.638270      0.559079      6.654835
  C      -3.029991     -0.134006      7.795033
  C      -2.053723      0.790647      8.503417
  N      -1.190334      1.483341      7.518745
  C      -0.708542      2.812199      7.983635
  C      -1.062530      3.873921      6.930033
  C      -0.112923      0.627372      6.982062
  C       0.197721      1.070813      5.554149
  N      -1.048311      1.096128      4.773160
  H      -0.364927      3.809764      6.080537
  H      -0.934183      4.885176      7.354513
  H       0.374369      2.787254      8.187715
  H      -1.216834      3.052758      8.927194
  H       0.927325      0.380513      5.100742
  H       0.671780      2.064626      5.558254
  H      -0.480009     -0.408934      6.956955
  H       0.782589      0.658901      7.627752
  H      -3.797446     -0.438985      8.524863
  H      -2.538898     -1.063718      7.449698
  H      -2.632806      1.563064      9.026698
  H      -1.458826      0.240003      9.254204
  C      -3.470613      4.364381      7.230671
  C      -4.263188      5.414246      6.464982
  O      -5.341887      4.768227      5.718312
  C      -5.231334      4.691368      4.395949
  O      -4.321549      5.193026      3.736710
  C      -6.347910      3.887043      3.776141
  N      -6.863113      2.919530      4.519090
  C      -7.778622      2.109908      3.931056
  N      -8.205997      2.163878      2.683619
  C      -7.722001      3.183350      1.917807
  C      -8.177772      3.309240      0.581631
  C      -7.732519      4.350296     -0.203616
  C      -6.825454      5.305631      0.315842
  C      -6.347615      5.201792      1.605859
  C      -6.770462      4.128438      2.434356
  C      -1.162996     -0.020117      3.826541
  C      -0.408641      0.161623      2.513219
  O      -1.209378      0.981974      1.607632
  C      -1.466143      0.458960      0.386021
  O      -0.994696     -0.574501     -0.044991
  C      -2.456679      1.299340     -0.385164
  N      -3.391836      1.922110      0.326723
  C      -4.360029      2.595921     -0.350919
  N      -4.463091      2.719923     -1.655582
  C      -3.494217      2.123332     -2.408561
  C      -3.544582      2.261480     -3.815988
  C      -2.571187      1.678795     -4.597777
  C      -1.516928      0.940035     -4.007096
  C      -1.442641      0.776983     -2.640400
  C      -2.430524      1.363408     -1.806499
  C      -4.917455      0.011740      6.202092
  C      -6.050693      0.159444      7.209115
  O      -6.187944      1.550957      7.577936
  C      -7.426815      2.080021      7.524030
  O      -8.432804      1.476850      7.195266
  C      -7.412628      3.525336      7.958188
  N      -6.531818      3.843048      8.897690
  C      -6.505068      5.139369      9.300577
  N      -7.210194      6.141692      8.814236
  C      -8.116004      5.831884      7.840207
  C      -8.889007      6.874202      7.272186
  C      -9.820908      6.587209      6.298489
  C     -10.019832      5.254367      5.863724
  C      -9.280853      4.218439      6.394498
  C      -8.301010      4.482483      7.385992
  H      -2.998028      4.881635      8.084431
  H      -4.190674      3.652107      7.669958
  H      -3.632872      5.986750      5.774290
  H      -4.779751      6.088609      7.160262
  H      -8.193270      1.324803      4.570170
  H      -8.890248      2.570488      0.213265
  H      -8.083880      4.447638     -1.231712
  H      -6.497739      6.131957     -0.316363
  H      -5.644991      5.936531      1.993389
  H      -2.221828     -0.198986      3.591650
  H      -0.784047     -0.946063      4.298286
  H      -0.224735     -0.805380      2.028874
  H       0.546982      0.685093      2.654880
  H      -5.122535      3.079199      0.265113
  H      -4.363597      2.839053     -4.245327
  H      -2.607188      1.786982     -5.682835
  H      -0.754225      0.491936     -4.645223
  H      -0.637521      0.196612     -2.195052
  H      -5.195052      0.525049      5.271236
  H      -4.819704     -1.068080      5.976638
  H      -6.990555     -0.204267      6.773146
  H      -5.859590     -0.394856      8.139421
  H      -5.798794      5.370585     10.103979
  H      -8.724764      7.889422      7.635058
  H     -10.418735      7.389304      5.862583
  H     -10.770728      5.044889      5.100401
  H      -9.447835      3.194707      6.068991
  N      -3.566399      2.156387      4.042742
  N      -3.004814      2.888616      2.929448
  H      -3.390190      3.860226      2.937299
  H      -1.973556      2.940248      2.986527
  H      -3.226890      2.412063      1.998867
100
Coordinates from ORCA-job orca E -6707.595363990822
  N      -2.435765      3.678838      6.461432
  Mo     -2.658136      1.883899      5.630622
  N      -3.640319      0.558541      6.651837
  C      -3.033126     -0.136053      7.791754
  C      -2.059317      0.788509      8.503669
  N      -1.194870      1.484275      7.522032
  C      -0.716025      2.812991      7.990424
  C      -1.069523      3.876178      6.938098
  C      -0.115182      0.630910      6.985700
  C       0.197107      1.077136      5.558975
  N      -1.047756      1.101595      4.776061
  H      -0.370018      3.814420      6.089988
  H      -0.943564      4.886910      7.364549
  H       0.366536      2.789300      8.196498
  H      -1.226406      3.051062      8.933491
  H       0.928554      0.388756      5.105614
  H       0.669537      2.071700      5.565408
  H      -0.480501     -0.405961      6.958300
  H       0.779233      0.662814      7.632895
  H      -3.801429     -0.443557      8.519577
  H      -2.540152     -1.064386      7.445385
  H      -2.640375      1.559228      9.027271
  H      -1.465212      0.237189      9.254595
  C      -3.479517      4.363783      7.232148
  C      -4.276075      5.406462      6.461080
  O      -5.348327      4.750572      5.713908
  C      -5.235639      4.673253      4.391651
  O      -4.336044      5.191880      3.731587
  C      -6.348464      3.864499      3.770907
  N      -6.853378      2.888236      4.509458
  C      -7.764477      2.075048      3.919564
  N      -8.196717      2.133426      2.673997
  C      -7.723392      3.161384      1.912897
  C      -8.185304      3.292254      0.579281
  C      -7.751644      4.342058     -0.200812
  C      -6.850066      5.301100      0.321371
  C      -6.366163      5.192526      1.608751
  C      -6.777437      4.110677      2.431986
  C      -1.158612     -0.012492      3.826561
  C      -0.402522      0.174809      2.514936
  O      -1.205043      0.993147      1.609049
  C      -1.462054      0.467946      0.388423
  O      -0.989539     -0.565634     -0.041434
  C      -2.454488      1.305726     -0.383382
  N      -3.389531      1.929177      0.328067
  C      -4.359671      2.599561     -0.350066
  N      -4.464947      2.719507     -1.654951
  C      -3.496578      2.121774     -2.407727
  C      -3.549568      2.255048     -3.815590
  C      -2.576825      1.670793     -4.597159
  C      -1.520615      0.935386     -4.005816
  C      -1.443706      0.777443     -2.638698
  C      -2.430800      1.365332     -1.805049
  C      -4.918372      0.011426      6.195509
  C      -6.054666      0.158941      7.198947
  O      -6.188387      1.549797      7.571481
  C      -7.424306      2.084871      7.510814
  O      -8.430281      1.488468      7.169847
  C      -7.407389      3.526415      7.957162
  N      -6.535358      3.831538      8.908956
  C      -6.506342      5.124247      9.323123
  N      -7.201406      6.134190      8.838111
  C      -8.097921      5.837402      7.851513
  C      -8.859621      6.888459      7.284322
  C      -9.782259      6.614573      6.298116
  C      -9.982866      5.286591      5.849487
  C      -9.254749      4.242411      6.379094
  C      -8.284618      4.492934      7.383565
  H      -3.010125      4.886465      8.084375
  H      -4.196947      3.649956      7.673259
  H      -3.647360      5.980215      5.769966
  H      -4.798612      6.080012      7.152657
  H      -8.171049      1.283038      4.555379
  H      -8.893343      2.550270      0.208871
  H      -8.107683      4.443234     -1.226920
  H      -6.531335      6.134069     -0.306694
  H      -5.667728      5.930164      1.998349
  H      -2.216671     -0.193119      3.589523
  H      -0.778372     -0.938721      4.296677
  H      -0.213108     -0.790450      2.029270
  H       0.550222      0.702658      2.659539
  H      -5.121440      3.084247      0.265762
  H      -4.370056      2.830144     -4.245440
  H      -2.614902      1.775184     -5.682519
  H      -0.758497      0.485855     -4.643660
  H      -0.637076      0.199703     -2.192726
  H      -5.193280      0.525894      5.264504
  H      -4.820420     -1.068161      5.968987
  H      -6.994035     -0.200521      6.758402
  H      -5.868793     -0.398920      8.128185
  H      -5.808831      5.344655     10.137174
  H      -8.694397      7.899639      7.657870
  H     -10.371425      7.423370      5.862802
  H     -10.726376      5.087547      5.076210
  H      -9.423127      3.222410      6.042789
  N      -3.567764      2.160140      4.043759
  N      -3.008338      2.894858      2.931316
  H      -3.397978      3.864756      2.939582
  H      -1.977310      2.951320      2.988701
  H      -3.227220      2.418060      1.999704
100
Coordinates from ORCA-job orca E -6707.595384944455
  N      -2.442008      3.681711      6.464328
  Mo     -2.658817      1.889536      5.626215
  N      -3.644409      0.560465      6.639465
  C      -3.041158     -0.138168      7.778974
  C      -2.071712      0.784735      8.498940
  N      -1.203310      1.485075      7.524221
  C      -0.728713      2.812839      7.999199
  C      -1.078363      3.878836      6.948392
  C      -0.120065      0.635233      6.989735
  C       0.197391      1.086247      5.565680
  N      -1.044432      1.110613      4.777887
  H      -0.374704      3.820045      6.103526
  H      -0.955456      4.888477      7.378293
  H       0.352886      2.790080      8.210439
  H      -1.243917      3.047373      8.940535
  H       0.931826      0.400445      5.113261
  H       0.668011      2.081612      5.576853
  H      -0.483444     -0.402176      6.957543
  H       0.771693      0.666463      7.640645
  H      -3.812167     -0.449724      8.502163
  H      -2.545406     -1.064375      7.430869
  H      -2.656085      1.552909      9.022603
  H      -1.480835      0.231132      9.250761
  C      -3.490462      4.363168      7.231929
  C      -4.291403      5.399531      6.457100
  O      -5.358360      4.736479      5.708788
  C      -5.246388      4.665223      4.386001
  O      -4.351605      5.193796      3.727264
  C      -6.354175      3.851261      3.762920
  N      -6.853848      2.870358      4.498921
  C      -7.760128      2.053338      3.907128
  N      -8.191650      2.111380      2.661271
  C      -7.724383      3.144009      1.902837
  C      -8.186996      3.275110      0.569463
  C      -7.761120      4.330196     -0.207729
  C      -6.866702      5.294370      0.317306
  C      -6.381762      5.185533      1.604301
  C      -6.784857      4.098329      2.424568
  C      -1.148614     -0.000012      3.823891
  C      -0.387515      0.195738      2.516283
  O      -1.191673      1.009912      1.608220
  C      -1.450538      0.478269      0.390825
  O      -0.978662     -0.557615     -0.034445
  C      -2.444359      1.312053     -0.383502
  N      -3.375989      1.942239      0.326594
  C      -4.347681      2.608711     -0.352870
  N      -4.458316      2.717982     -1.658384
  C      -3.493991      2.112573     -2.410200
  C      -3.553234      2.233440     -3.819019
  C      -2.584687      1.641180     -4.599897
  C      -1.526446      0.910101     -4.006841
  C      -1.443460      0.764545     -2.638741
  C      -2.426251      1.360337     -1.805718
  C      -4.921599      0.016118      6.177465
  C      -6.060093      0.159579      7.178884
  O      -6.189242      1.548025      7.561844
  C      -7.423091      2.088009      7.503941
  O      -8.430731      1.498235      7.156407
  C      -7.401976      3.524767      7.965093
  N      -6.534592      3.815869      8.925470
  C      -6.502577      5.103986      9.353547
  N      -7.190593      6.121974      8.875392
  C      -8.082101      5.839670      7.880019
  C      -8.836086      6.899933      7.319717
  C      -9.753619      6.640570      6.324849
  C      -9.956520      5.318437      5.860263
  C      -9.235861      4.265576      6.382846
  C      -8.271306      4.501173      7.396271
  H      -3.024588      4.890983      8.082894
  H      -4.204537      3.646810      7.674454
  H      -3.664414      5.975583      5.766341
  H      -4.818925      6.071400      7.146546
  H      -8.162562      1.257861      4.541264
  H      -8.889799      2.529115      0.197137
  H      -8.117967      4.431631     -1.233528
  H      -6.554344      6.131658     -0.308217
  H      -5.688946      5.927267      1.996048
  H      -2.205188     -0.182346      3.581620
  H      -0.767923     -0.927022      4.292024
  H      -0.187818     -0.766801      2.029402
  H       0.559825      0.731427      2.666999
  H      -5.106091      3.099831      0.262031
  H      -4.375065      2.805618     -4.250188
  H      -2.627732      1.735914     -5.685957
  H      -0.767659      0.454078     -4.644061
  H      -0.635201      0.190208     -2.191348
  H      -5.193979      0.535622      5.248570
  H      -4.823974     -1.062392      5.945675
  H      -6.999504     -0.192989      6.732885
  H      -5.879065     -0.406420      8.104164
  H      -5.809519      5.312595     10.174490
  H      -8.669177      7.906282      7.705366
  H     -10.336881      7.456433      5.894807
  H     -10.695851      5.130929      5.080129
  H      -9.405969      3.250033      6.034112
  N      -3.564579      2.170193      4.038043
  N      -3.005600      2.907456      2.926952
  H      -3.400481      3.875198      2.934730
  H      -1.975046      2.970171      2.986742
  H      -3.218778      2.430046      1.993889
100
Coordinates from ORCA-job orca E -6707.595427109387
  N      -2.436442      3.686538      6.484980
  Mo     -2.647237      1.904603      5.623602
  N      -3.644652      0.567277      6.614828
  C      -3.051147     -0.145744      7.750629
  C      -2.088439      0.767729      8.491005
  N      -1.209353      1.477773      7.533350
  C      -0.738523      2.799686      8.027172
  C      -1.077363      3.876582      6.984119
  C      -0.121452      0.633635      6.999342
  C       0.207362      1.098526      5.582220
  N      -1.028462      1.129402      4.785075
  H      -0.366183      3.824295      6.145213
  H      -0.956942      4.881905      7.424719
  H       0.341158      2.774110      8.247802
  H      -1.261761      3.025208      8.966340
  H       0.945645      0.417290      5.129154
  H       0.677502      2.093908      5.606396
  H      -0.483743     -0.403631      6.953864
  H       0.765022      0.658620      7.657717
  H      -3.828409     -0.467227      8.462604
  H      -2.551555     -1.067012      7.394979
  H      -2.677435      1.530780      9.016996
  H      -1.506284      0.204799      9.242747
  C      -3.491864      4.360209      7.250016
  C      -4.302687      5.385165      6.471144
  O      -5.358567      4.709128      5.719167
  C      -5.250055      4.657065      4.394848
  O      -4.369270      5.213556      3.740211
  C      -6.352057      3.841476      3.763728
  N      -6.847762      2.852117      4.491066
  C      -7.749159      2.035096      3.892387
  N      -8.177755      2.098861      2.645721
  C      -7.715323      3.139916      1.896037
  C      -8.176959      3.277978      0.562997
  C      -7.759132      4.342971     -0.204897
  C      -6.873756      5.310245      0.329620
  C      -6.388951      5.194393      1.616133
  C      -6.783536      4.096968      2.426955
  C      -1.121226      0.032139      3.814971
  C      -0.350840      0.252013      2.515671
  O      -1.161287      1.054809      1.602621
  C      -1.433484      0.502935      0.396675
  O      -0.969847     -0.542015     -0.015559
  C      -2.430829      1.327376     -0.382948
  N      -3.348914      1.980044      0.324672
  C      -4.324537      2.638750     -0.355968
  N      -4.454024      2.717178     -1.661978
  C      -3.506081      2.085445     -2.412764
  C      -3.588116      2.169502     -3.823155
  C      -2.637277      1.549543     -4.604132
  C      -1.573939      0.827221     -4.009441
  C      -1.468153      0.718181     -2.639544
  C      -2.433352      1.341662     -1.806090
  C      -4.918684      0.029433      6.136715
  C      -6.064986      0.162708      7.130554
  O      -6.191842      1.546242      7.531309
  C      -7.425436      2.087114      7.482499
  O      -8.434532      1.501554      7.132144
  C      -7.402658      3.518990      7.958387
  N      -6.540649      3.797789      8.927168
  C      -6.509681      5.081044      9.370093
  N      -7.194107      6.105142      8.900015
  C      -8.079863      5.835457      7.895927
  C      -8.830218      6.902648      7.344075
  C      -9.741842      6.655557      6.340636
  C      -9.941840      5.339326      5.858299
  C      -9.224356      4.280002      6.372156
  C      -8.266655      4.503075      7.394837
  H      -3.030504      4.897311      8.097502
  H      -4.198250      3.638684      7.696604
  H      -3.679964      5.967910      5.782168
  H      -4.839886      6.051619      7.158540
  H      -8.149382      1.233857      4.520675
  H      -8.873482      2.529481      0.183955
  H      -8.115623      4.450022     -1.230245
  H      -6.568265      6.155882     -0.288046
  H      -5.702849      5.938542      2.014863
  H      -2.175112     -0.151356      3.562065
  H      -0.740436     -0.899443      4.273632
  H      -0.124116     -0.702410      2.024918
  H       0.581410      0.809158      2.680715
  H      -5.069982      3.150761      0.257903
  H      -4.413179      2.736119     -4.255488
  H      -2.698358      1.615432     -5.691456
  H      -0.829226      0.348681     -4.646761
  H      -0.655560      0.151119     -2.190924
  H      -5.183493      0.559901      5.211994
  H      -4.820534     -1.046517      5.893432
  H      -7.001939     -0.179767      6.671641
  H      -5.894946     -0.417815      8.048933
  H      -5.820971      5.279503     10.197184
  H      -8.665442      7.904202      7.742905
  H     -10.322495      7.476695      5.917150
  H     -10.676341      5.161695      5.071331
  H      -9.391709      3.268844      6.009540
  N      -3.548882      2.205053      4.036969
  N      -2.997192      2.949818      2.927989
  H      -3.406121      3.911591      2.935490
  H      -1.968096      3.029433      2.989009
  H      -3.200064      2.470150      1.992795
100
Coordinates from ORCA-job orca E -6707.595470322938
  N      -2.434891      3.693649      6.495664
  Mo     -2.637439      1.921327      5.612567
  N      -3.648278      0.576876      6.580867
  C      -3.067078     -0.149977      7.714152
  C      -2.113099      0.754408      8.476432
  N      -1.221584      1.473616      7.537776
  C      -0.756477      2.790149      8.049966
  C      -1.081706      3.876750      7.012696
  C      -0.127713      0.635113      7.007434
  C       0.215649      1.112780      5.597922
  N      -1.012221      1.149423      4.788669
  H      -0.361044      3.829990      6.181650
  H      -0.964740      4.878113      7.463150
  H       0.320489      2.762249      8.283377
  H      -1.290729      3.007608      8.984873
  H       0.958873      0.435795      5.146566
  H       0.685004      2.108129      5.635393
  H      -0.488490     -0.402000      6.948584
  H       0.751926      0.654294      7.675149
  H      -3.852093     -0.480632      8.413286
  H      -2.562881     -1.066545      7.352870
  H      -2.707998      1.512515      9.002947
  H      -1.541420      0.182554      9.229532
  C      -3.498687      4.358719      7.257131
  C      -4.317773      5.374481      6.475336
  O      -5.365761      4.689580      5.720500
  C      -5.262258      4.655579      4.394894
  O      -4.389186      5.229107      3.744576
  C      -6.359344      3.838736      3.756657
  N      -6.858038      2.847471      4.479424
  C      -7.754907      2.030055      3.874973
  N      -8.175525      2.093771      2.625540
  C      -7.710723      3.136732      1.880155
  C      -8.164562      3.274873      0.544444
  C      -7.746285      4.342426     -0.219491
  C      -6.867851      5.312167      0.321923
  C      -6.389797      5.195889      1.610986
  C      -6.784778      4.095798      2.418040
  C      -1.091841      0.063808      3.804924
  C      -0.310595      0.305308      2.515042
  O      -1.124915      1.096830      1.595211
  C      -1.410264      0.522976      0.402290
  O      -0.956518     -0.532300      0.005200
  C      -2.409701      1.338600     -0.383818
  N      -3.313612      2.015286      0.319662
  C      -4.291757      2.667234     -0.363146
  N      -4.438471      2.715288     -1.668950
  C      -3.507105      2.055919     -2.416537
  C      -3.610696      2.103083     -3.827334
  C      -2.677834      1.454088     -4.606334
  C      -1.610871      0.739211     -4.009080
  C      -1.483862      0.666660     -2.638656
  C      -2.431073      1.319118     -1.806657
  C      -4.920105      0.048316      6.087037
  C      -6.071656      0.168948      7.076425
  O      -6.194136      1.545621      7.501532
  C      -7.428226      2.086498      7.473910
  O      -8.440927      1.506570      7.124686
  C      -7.400805      3.511834      7.968492
  N      -6.536775      3.775828      8.939521
  C      -6.503843      5.052832      9.400438
  N      -7.189422      6.083769      8.947361
  C      -8.077121      5.829214      7.940899
  C      -8.828691      6.904315      7.406438
  C      -9.741746      6.672013      6.400695
  C      -9.941727      5.363248      5.898400
  C      -9.223006      4.296571      6.395051
  C      -8.264407      4.504635      7.419995
  H      -3.042917      4.903546      8.102622
  H      -4.198212      3.631761      7.705905
  H      -3.698697      5.963064      5.788086
  H      -4.861907      6.036248      7.161948
  H      -8.158986      1.228775      4.500780
  H      -8.856244      2.524367      0.160530
  H      -8.097332      4.449726     -1.246687
  H      -6.562317      6.160368     -0.292228
  H      -5.708674      5.941809      2.014790
  H      -2.142530     -0.120892      3.539909
  H      -0.711704     -0.871477      4.256290
  H      -0.058049     -0.641426      2.022229
  H       0.606596      0.882298      2.694492
  H      -5.023536      3.201973      0.247993
  H      -4.437781      2.665225     -4.261632
  H      -2.756006      1.491039     -5.693926
  H      -0.880361      0.237304     -4.644860
  H      -0.668108      0.105715     -2.188141
  H      -5.178564      0.592682      5.168738
  H      -4.822604     -1.024292      5.829075
  H      -7.007510     -0.160659      6.605916
  H      -5.910452     -0.429812      7.984670
  H      -5.813586      5.238967     10.229090
  H      -8.663673      7.899842      7.819990
  H     -10.323480      7.499223      5.990730
  H     -10.677256      5.197379      5.109830
  H      -9.389941      3.290892      6.017180
  N      -3.528804      2.240335      4.024441
  N      -2.978502      2.990956      2.918321
  H      -3.398247      3.948008      2.924422
  H      -1.950941      3.084410      2.984078
  H      -3.170327      2.508967      1.980929
100
Coordinates from ORCA-job orca E -6707.595512318229
  N      -2.427376      3.698307      6.508690
  Mo     -2.622701      1.935321      5.605068
  N      -3.646031      0.583969      6.550901
  C      -3.076117     -0.155869      7.681449
  C      -2.130895      0.739752      8.464191
  N      -1.227774      1.466872      7.543397
  C      -0.767188      2.777649      8.073104
  C      -1.079605      3.873678      7.041973
  C      -0.128798      0.633082      7.016272
  C       0.227847      1.122284      5.614030
  N      -0.992597      1.165354      4.793876
  H      -0.350645      3.831556      6.217999
  H      -0.965056      4.871142      7.501638
  H       0.307199      2.746678      8.317838
  H      -1.310952      2.987749      9.004289
  H       0.975023      0.448588      5.164247
  H       0.697389      2.117042      5.663899
  H      -0.488265     -0.403734      6.945435
  H       0.744523      0.646726      7.692386
  H      -3.868103     -0.495692      8.368220
  H      -2.567086     -1.067658      7.314875
  H      -2.731231      1.493704      8.990493
  H      -1.569283      0.159573      9.218528
  C      -3.498250      4.355358      7.267451
  C      -4.321106      5.367970      6.485772
  O      -5.364340      4.682258      5.725212
  C      -5.267772      4.671011      4.398318
  O      -4.395851      5.252873      3.753873
  C      -6.359779      3.852689      3.752818
  N      -6.861351      2.860355      4.472321
  C      -7.756646      2.044021      3.864431
  N      -8.172564      2.108678      2.613502
  C      -7.705930      3.153047      1.871297
  C      -8.156536      3.292687      0.534668
  C      -7.739304      4.362824     -0.226037
  C      -6.865380      5.333962      0.319986
  C      -6.389784      5.216014      1.609887
  C      -6.782734      4.112595      2.413599
  C      -1.059679      0.092911      3.795424
  C      -0.270112      0.357529      2.514096
  O      -1.088988      1.137946      1.588333
  C      -1.396988      0.538305      0.413630
  O      -0.961258     -0.531251      0.035265
  C      -2.397239      1.346473     -0.378786
  N      -3.286561      2.047080      0.319907
  C      -4.266028      2.694329     -0.365190
  N      -4.429395      2.713689     -1.669761
  C      -3.515249      2.026490     -2.413288
  C      -3.640095      2.037923     -3.823044
  C      -2.726355      1.358770     -4.598650
  C      -1.657066      0.649353     -3.998873
  C      -1.508481      0.612424     -2.629186
  C      -2.437139      1.294964     -1.800354
  C      -4.914155      0.062053      6.041199
  C      -6.072331      0.170889      7.024164
  O      -6.194269      1.541583      7.468223
  C      -7.430226      2.078102      7.459484
  O      -8.445328      1.497676      7.118293
  C      -7.402425      3.499128      7.966058
  N      -6.536901      3.755377      8.937764
  C      -6.505700      5.028210      9.410676
  N      -7.194821      6.061819      8.969383
  C      -8.083432      5.815298      7.961576
  C      -8.838735      6.893593      7.439114
  C      -9.751617      6.669073      6.431380
  C      -9.947374      5.365282      5.914673
  C      -9.225115      4.295623      6.399681
  C      -8.267588      4.495773      7.427145
  H      -3.047184      4.903424      8.113318
  H      -4.193945      3.623962      7.715264
  H      -3.703111      5.962535      5.802742
  H      -4.869368      6.024793      7.174005
  H      -8.162797      1.242067      4.488084
  H      -8.845696      2.541327      0.147893
  H      -8.088589      4.471671     -1.253679
  H      -6.561450      6.185060     -0.290987
  H      -5.712426      5.963314      2.017096
  H      -2.107426     -0.093326      3.520019
  H      -0.678958     -0.846294      4.237739
  H       0.007662     -0.580710      2.018852
  H       0.631180      0.954714      2.706385
  H      -4.984839      3.250070      0.242673
  H      -4.468227      2.597032     -4.259261
  H      -2.821399      1.367196     -5.685489
  H      -0.941805      0.123164     -4.632331
  H      -0.690420      0.056288     -2.176903
  H      -5.166004      0.617449      5.127727
  H      -4.815483     -1.007579      5.771490
  H      -7.005669     -0.149495      6.542274
  H      -5.919780     -0.442433      7.924196
  H      -5.812899      5.208347     10.238503
  H      -8.676487      7.885326      7.862763
  H     -10.336117      7.498846      6.030625
  H     -10.682405      5.205764      5.124335
  H      -9.388087      3.293484      6.010724
  N      -3.508270      2.273739      4.018112
  N      -2.964952      3.031244      2.913916
  H      -3.397372      3.982399      2.919524
  H      -1.939301      3.140162      2.981126
  H      -3.148447      2.546844      1.975845
100
Coordinates from ORCA-job orca E -6707.595550750378
  N      -2.421638      3.706509      6.518846
  Mo     -2.607824      1.951897      5.596206
  N      -3.642842      0.592604      6.517802
  C      -3.084944     -0.159603      7.646050
  C      -2.149925      0.728004      8.449649
  N      -1.235870      1.464064      7.547198
  C      -0.781639      2.769435      8.094830
  C      -1.080100      3.874660      7.069524
  C      -0.130287      0.635792      7.024780
  C       0.240933      1.136559      5.630391
  N      -0.970820      1.185627      4.798039
  H      -0.341873      3.837821      6.253599
  H      -0.968928      4.868072      7.538761
  H       0.289495      2.735924      8.353192
  H      -1.337184      2.971790      9.020806
  H       0.993074      0.466629      5.183188
  H       0.709946      2.130883      5.693316
  H      -0.487489     -0.400918      6.941755
  H       0.735612      0.644752      7.710432
  H      -3.884180     -0.508530      8.319776
  H      -2.570283     -1.066485      7.275161
  H      -2.756813      1.477082      8.975384
  H      -1.597904      0.140214      9.205162
  C      -3.500279      4.354085      7.274945
  C      -4.326665      5.364542      6.494192
  O      -5.364949      4.677530      5.728256
  C      -5.269987      4.681410      4.401156
  O      -4.400897      5.273925      3.762636
  C      -6.359704      3.866829      3.747024
  N      -6.869680      2.875107      4.461615
  C      -7.763369      2.062501      3.846432
  N      -8.170678      2.130210      2.592855
  C      -7.694625      3.173394      1.854993
  C      -8.134032      3.314957      0.514900
  C      -7.706159      4.383169     -0.242502
  C      -6.832367      5.350432      0.310416
  C      -6.367523      5.230528      1.604099
  C      -6.771789      4.129089      2.404880
  C      -1.026415      0.123577      3.788041
  C      -0.232304      0.405925      2.512375
  O      -1.056926      1.173971      1.581044
  C      -1.386485      0.550913      0.424378
  O      -0.966131     -0.531143      0.064627
  C      -2.389696      1.350893     -0.373156
  N      -3.262497      2.075917      0.321265
  C      -4.244397      2.718781     -0.364571
  N      -4.426081      2.710250     -1.666814
  C      -3.530791      1.994993     -2.406753
  C      -3.678980      1.971407     -3.814113
  C      -2.786439      1.261419     -4.586641
  C      -1.714850      0.555968     -3.986021
  C      -1.543053      0.554140     -2.618663
  C      -2.450551      1.267658     -1.792484
  C      -4.906929      0.077795      5.991593
  C      -6.071668      0.172997      6.968301
  O      -6.194521      1.536739      7.433112
  C      -7.432437      2.067957      7.443825
  O      -8.448946      1.488416      7.105384
  C      -7.404929      3.483660      7.965055
  N      -6.535731      3.731330      8.935629
  C      -6.506638      4.998922      9.423040
  N      -7.202415      6.034842      8.998056
  C      -8.094726      5.797043      7.991256
  C      -8.857277      6.878146      7.485558
  C      -9.773309      6.661883      6.478788
  C      -9.965138      5.363859      5.946301
  C      -9.236041      4.291641      6.415141
  C      -8.275437      4.483593      7.441220
  H      -3.055440      4.903740      8.123090
  H      -4.192531      3.617357      7.719514
  H      -3.709800      5.964887      5.815226
  H      -4.879185      6.016344      7.183922
  H      -8.177437      1.261822      4.466554
  H      -8.822946      2.566190      0.122707
  H      -8.046781      4.493483     -1.272892
  H      -6.519742      6.200252     -0.297956
  H      -5.689486      5.974381      2.016476
  H      -2.071625     -0.066031      3.505237
  H      -0.643390     -0.817884      4.223234
  H       0.066125     -0.525847      2.017087
  H       0.655238      1.020737      2.712091
  H      -4.947894      3.296773      0.240607
  H      -4.508159      2.528516     -4.250919
  H      -2.899929      1.241781     -5.671557
  H      -1.016425      0.005065     -4.617245
  H      -0.722848      0.001658     -2.165762
  H      -5.152295      0.645394      5.083846
  H      -4.806560     -0.988273      5.708621
  H      -7.002216     -0.138467      6.475235
  H      -5.926551     -0.455298      7.859207
  H      -5.810361      5.171940     10.249481
  H      -8.698057      7.865418      7.920621
  H     -10.363368      7.493947      6.091139
  H     -10.702628      5.210946      5.156949
  H      -9.395588      3.293520      6.014471
  N      -3.481204      2.309743      4.007748
  N      -2.938697      3.075277      2.908718
  H      -3.382637      4.021142      2.913000
  H      -1.915153      3.198885      2.982670
  H      -3.112271      2.587831      1.969171
100
Coordinates from ORCA-job orca E -6707.595625456499
  N      -2.412539      3.712401      6.522024
  Mo     -2.591533      1.962032      5.588585
  N      -3.632874      0.595345      6.491848
  C      -3.083768     -0.164129      7.619337
  C      -2.158834      0.720076      8.437948
  N      -1.237270      1.462526      7.548733
  C      -0.789036      2.764631      8.108504
  C      -1.076039      3.875600      7.086152
  C      -0.126181      0.638366      7.031307
  C       0.256217      1.145526      5.642705
  N      -0.948180      1.198177      4.800457
  H      -0.330328      3.841981      6.276902
  H      -0.967890      4.866422      7.561610
  H       0.279117      2.729602      8.378854
  H      -1.354693      2.962292      9.029425
  H       1.012053      0.477513      5.198774
  H       0.725274      2.139299      5.714613
  H      -0.480636     -0.398734      6.941359
  H       0.733953      0.645787      7.724224
  H      -3.888141     -0.520558      8.283057
  H      -2.563082     -1.066959      7.247027
  H      -2.771977      1.465889      8.960985
  H      -1.613840      0.128547      9.195632
  C      -3.496597      4.351622      7.277443
  C      -4.320298      5.369389      6.502866
  O      -5.358461      4.690636      5.729844
  C      -5.261734      4.703279      4.403184
  O      -4.389368      5.296288      3.769731
  C      -6.352611      3.895091      3.742831
  N      -6.869455      2.904440      4.454212
  C      -7.765042      2.097034      3.834621
  N      -8.169105      2.169721      2.580347
  C      -7.684100      3.210788      1.845148
  C      -8.117302      3.355671      0.503459
  C      -7.678211      4.420346     -0.252444
  C      -6.799475      5.381107      0.303859
  C      -6.341275      5.258328      1.599638
  C      -6.757134      4.160200      2.399044
  C      -0.993800      0.143755      3.782407
  C      -0.200013      0.439711      2.509373
  O      -1.030233      1.197249      1.575163
  C      -1.399908      0.547972      0.446282
  O      -1.013694     -0.554744      0.112591
  C      -2.399023      1.347018     -0.356473
  N      -3.255425      2.094718      0.333710
  C      -4.234370      2.741064     -0.354072
  N      -4.426773      2.715750     -1.654457
  C      -3.548804      1.975276     -2.390468
  C      -3.710703      1.929074     -3.795512
  C      -2.837980      1.189334     -4.562530
  C      -1.772727      0.476865     -3.958807
  C      -1.585958      0.498447     -2.593390
  C      -2.474360      1.242465     -1.773553
  C      -4.892652      0.083597      5.952980
  C      -6.063637      0.169797      6.923231
  O      -6.191005      1.529679      7.398226
  C      -7.432223      2.051835      7.425293
  O      -8.448040      1.468712      7.090928
  C      -7.409244      3.465266      7.952780
  N      -6.535555      3.713019      8.919307
  C      -6.511964      4.978124      9.413831
  N      -7.218098      6.011461      8.999974
  C      -8.115043      5.773503      7.997233
  C      -8.888948      6.851799      7.503125
  C      -9.809066      6.634885      6.500126
  C      -9.993944      5.339011      5.960011
  C      -9.254114      4.269475      6.417996
  C      -8.289236      4.462407      7.439786
  H      -3.056943      4.894555      8.132710
  H      -4.190149      3.610430      7.712509
  H      -3.701183      5.974647      5.830301
  H      -4.872682      6.016436      7.197248
  H      -8.184156      1.296483      4.451563
  H      -8.809659      2.611529      0.108531
  H      -8.013950      4.533054     -1.284179
  H      -6.477627      6.228360     -0.303296
  H      -5.659551      5.997157      2.014988
  H      -2.037185     -0.051387      3.496473
  H      -0.605420     -0.798240      4.211416
  H       0.112253     -0.487816      2.014765
  H       0.677039      1.068639      2.710354
  H      -4.925229      3.336799      0.248384
  H      -4.534771      2.491800     -4.234792
  H      -2.962380      1.150447     -5.645717
  H      -1.090815     -0.097957     -4.586719
  H      -0.770264     -0.058795     -2.137819
  H      -5.132442      0.657262      5.047434
  H      -4.789529     -0.980396      5.663199
  H      -6.990730     -0.138968      6.422038
  H      -5.923337     -0.465812      7.809725
  H      -5.810276      5.151601     10.235596
  H      -8.735157      7.837627      7.943384
  H     -10.407776      7.464993      6.121649
  H     -10.734649      5.185647      5.173759
  H      -9.408076      3.272566      6.012073
  N      -3.459043      2.334841      4.001040
  N      -2.918687      3.106382      2.906348
  H      -3.369682      4.048857      2.910964
  H      -1.896756      3.237713      2.984776
  H      -3.090023      2.618656      1.967170
100
Coordinates from ORCA-job orca E -6707.595748652221
  N      -2.414799      3.719471      6.529006
  Mo     -2.582432      1.971524      5.586987
  N      -3.620988      0.591574      6.472614
  C      -3.075566     -0.172227      7.598905
  C      -2.162773      0.712884      8.429991
  N      -1.239677      1.466283      7.551466
  C      -0.802019      2.766690      8.123280
  C      -1.083260      3.882603      7.104935
  C      -0.120281      0.651192      7.036464
  C       0.268375      1.167173      5.652906
  N      -0.930407      1.218527      4.803030
  H      -0.330871      3.855909      6.301620
  H      -0.981596      4.870840      7.587196
  H       0.263402      2.733986      8.404600
  H      -1.377791      2.956825      9.039538
  H       1.030119      0.504943      5.210291
  H       0.732942      2.162455      5.733475
  H      -0.467655     -0.387713      6.940023
  H       0.735289      0.660795      7.735001
  H      -3.882288     -0.538756      8.254242
  H      -2.546119     -1.069101      7.224678
  H      -2.784450      1.452374      8.951888
  H      -1.619714      0.120457      9.188328
  C      -3.505943      4.347221      7.283706
  C      -4.328609      5.370394      6.514505
  O      -5.363262      4.697169      5.732342
  C      -5.259042      4.716986      4.406560
  O      -4.383985      5.314473      3.781217
  C      -6.346247      3.912276      3.735710
  N      -6.862568      2.914332      4.437228
  C      -7.754719      2.110432      3.807788
  N      -8.157069      2.194498      2.553742
  C      -7.670917      3.242020      1.828447
  C      -8.100076      3.397366      0.486675
  C      -7.657625      4.467153     -0.260009
  C      -6.780253      5.423317      0.306281
  C      -6.326995      5.291126      1.602842
  C      -6.746127      4.187318      2.392684
  C      -0.965562      0.170040      3.778221
  C      -0.177256      0.478588      2.504225
  O      -1.016298      1.221728      1.566501
  C      -1.427374      0.544168      0.469716
  O      -1.077979     -0.579747      0.165775
  C      -2.421312      1.341761     -0.341143
  N      -3.261708      2.113875      0.340673
  C      -4.235069      2.763287     -0.353478
  N      -4.433702      2.719323     -1.652136
  C      -3.571258      1.952295     -2.380041
  C      -3.739913      1.883934     -3.783297
  C      -2.883727      1.114284     -4.539949
  C      -1.828591      0.393934     -3.927981
  C      -1.634278      0.438687     -2.564104
  C      -2.506313      1.213423     -1.755632
  C      -4.875747      0.078818      5.923353
  C      -6.053378      0.157541      6.886157
  O      -6.184442      1.514682      7.367675
  C      -7.426586      2.033702      7.395335
  O      -8.440310      1.450250      7.055017
  C      -7.409011      3.441185      7.938649
  N      -6.541130      3.679263      8.912910
  C      -6.522374      4.938778      9.421854
  N      -7.228452      5.975360      9.016367
  C      -8.119044      5.747573      8.005642
  C      -8.892219      6.830021      7.519687
  C      -9.805430      6.623147      6.508229
  C      -9.983803      5.333626      5.951022
  C      -9.244693      4.260189      6.400976
  C      -8.287206      4.442867      7.431610
  H      -3.074341      4.882811      8.147774
  H      -4.199837      3.599593      7.707003
  H      -3.707851      5.982131      5.849274
  H      -4.884415      6.010825      7.212260
  H      -8.173119      1.302860      4.415976
  H      -8.791135      2.656313      0.083754
  H      -7.989673      4.587620     -1.292056
  H      -6.455430      6.274576     -0.293648
  H      -5.646651      6.026601      2.026424
  H      -2.007058     -0.036054      3.492748
  H      -0.566301     -0.769819      4.201840
  H       0.148434     -0.445624      2.012068
  H       0.689337      1.122384      2.702295
  H      -4.912317      3.380597      0.242712
  H      -4.555970      2.452872     -4.229478
  H      -3.013537      1.057101     -5.621685
  H      -1.160577     -0.204867     -4.548393
  H      -0.826524     -0.124230     -2.101191
  H      -5.111050      0.655885      5.018770
  H      -4.767967     -0.983483      5.629070
  H      -6.976706     -0.149039      6.376807
  H      -5.918436     -0.483113      7.769861
  H      -5.825218      5.104032     10.249178
  H      -8.743685      7.810955      7.972484
  H     -10.403513      7.456577      6.136106
  H     -10.718891      5.188403      5.157987
  H      -9.393715      3.267880      5.982158
  N      -3.445431      2.356451      4.000521
  N      -2.904740      3.136634      2.912983
  H      -3.364767      4.074824      2.917481
  H      -1.884745      3.277931      2.999984
  H      -3.069777      2.648214      1.971733
100
Coordinates from ORCA-job orca E -6707.595892545482
  N      -2.416459      3.721632      6.530483
  Mo     -2.580020      1.971866      5.589365
  N      -3.608889      0.580841      6.468621
  C      -3.061977     -0.181962      7.594880
  C      -2.156068      0.707706      8.428979
  N      -1.236716      1.468693      7.552804
  C      -0.806886      2.769948      8.128740
  C      -1.087021      3.887023      7.111307
  C      -0.112641      0.660455      7.036775
  C       0.275154      1.180688      5.654569
  N      -0.922290      1.228405      4.802630
  H      -0.331431      3.864605      6.310994
  H      -0.990353      4.874374      7.596374
  H       0.256949      2.740309      8.416613
  H      -1.388882      2.956117      9.041865
  H       1.040312      0.522889      5.211234
  H       0.735165      2.177778      5.738034
  H      -0.454450     -0.380102      6.938932
  H       0.742498      0.673738      7.735864
  H      -3.867915     -0.553988      8.248004
  H      -2.526976     -1.075273      7.220263
  H      -2.783311      1.442377      8.951002
  H      -1.610117      0.117657      9.187122
  C      -3.511426      4.343116      7.284914
  C      -4.328864      5.373603      6.519432
  O      -5.360511      4.705433      5.729161
  C      -5.245599      4.721312      4.404481
  O      -4.372725      5.326049      3.783111
  C      -6.328452      3.914672      3.728688
  N      -6.831462      2.903951      4.421377
  C      -7.720445      2.099958      3.787321
  N      -8.130777      2.195663      2.536713
  C      -7.658147      3.256232      1.821379
  C      -8.097940      3.425353      0.484692
  C      -7.670352      4.508878     -0.250828
  C      -6.798059      5.465822      0.322290
  C      -6.335175      5.320963      1.614036
  C      -6.738660      4.202787      2.391728
  C      -0.953202      0.180746      3.777167
  C      -0.172898      0.496164      2.500329
  O      -1.017114      1.233600      1.563471
  C      -1.473365      0.534352      0.500236
  O      -1.168577     -0.610523      0.226412
  C      -2.454677      1.338599     -0.318470
  N      -3.279734      2.132153      0.356363
  C      -4.240844      2.792374     -0.345314
  N      -4.436155      2.741856     -1.643934
  C      -3.585487      1.954103     -2.364614
  C      -3.746799      1.882255     -3.768541
  C      -2.901316      1.091018     -4.515733
  C      -1.866031      0.350874     -3.894473
  C      -1.679006      0.398487     -2.529472
  C      -2.539058      1.197657     -1.731622
  C      -4.861332      0.065130      5.916304
  C      -6.042836      0.143689      6.874179
  O      -6.176930      1.502003      7.351677
  C      -7.419407      2.021099      7.370171
  O      -8.429509      1.438293      7.017845
  C      -7.407277      3.426669      7.918106
  N      -6.547885      3.662009      8.900658
  C      -6.533631      4.919837      9.413488
  N      -7.235731      5.957750      9.004478
  C      -8.117856      5.732854      7.985904
  C      -8.886772      6.816845      7.496599
  C      -9.792014      6.612853      6.477448
  C      -9.966375      5.324782      5.915676
  C      -9.231093      4.249892      6.368470
  C      -8.281715      4.429589      7.407200
  H      -3.086409      4.868219      8.158637
  H      -4.209048      3.591692      7.694884
  H      -3.704296      5.988503      5.860655
  H      -4.887432      6.009861      7.218597
  H      -8.126800      1.280399      4.387529
  H      -8.785236      2.683603      0.076630
  H      -8.010447      4.639557     -1.278990
  H      -6.484961      6.327667     -0.268704
  H      -5.659831      6.057543      2.043768
  H      -1.993906     -0.034662      3.495584
  H      -0.543099     -0.755932      4.197632
  H       0.156237     -0.427512      2.009026
  H       0.690000      1.145995      2.693542
  H      -4.910608      3.423165      0.244882
  H      -4.548034      2.465316     -4.223240
  H      -3.025302      1.031449     -5.598033
  H      -1.208174     -0.265684     -4.508346
  H      -0.887866     -0.180665     -2.057697
  H      -5.094266      0.640445      5.010041
  H      -4.750512     -0.997156      5.623172
  H      -6.963579     -0.164843      6.361505
  H      -5.910094     -0.494504      7.760000
  H      -5.843423      5.082724     10.247067
  H      -8.741567      7.796508      7.953205
  H     -10.386829      7.447423      6.102659
  H     -10.695203      5.181821      5.116483
  H      -9.377545      3.258849      5.945880
  N      -3.444040      2.361062      4.005163
  N      -2.895897      3.147543      2.925082
  H      -3.353767      4.086832      2.933502
  H      -1.876336      3.284396      3.019663
  H      -3.061960      2.663018      1.981075
100
Coordinates from ORCA-job orca E -6707.595983614212
  N      -2.419193      3.726592      6.533558
  Mo     -2.574984      1.979049      5.585532
  N      -3.601677      0.578194      6.451818
  C      -3.057303     -0.187682      7.577397
  C      -2.160123      0.702174      8.420732
  N      -1.239568      1.471657      7.553065
  C      -0.818091      2.771414      8.138245
  C      -1.093962      3.892183      7.123950
  C      -0.109086      0.671118      7.038056
  C       0.282062      1.198928      5.659013
  N      -0.911941      1.244068      4.801813
  H      -0.333315      3.875026      6.328463
  H      -1.002905      4.877506      7.614208
  H       0.243524      2.743636      8.434522
  H      -1.407868      2.951647      9.047604
  H       1.052056      0.546501      5.216100
  H       0.736989      2.197786      5.748321
  H      -0.445000     -0.370785      6.934760
  H       0.743115      0.686155      7.740688
  H      -3.865025     -0.566985      8.224029
  H      -2.515907     -1.076304      7.200926
  H      -2.793803      1.431586      8.942347
  H      -1.615565      0.111309      9.179243
  C      -3.520741      4.339242      7.286156
  C      -4.337533      5.372215      6.523231
  O      -5.366299      4.706742      5.726581
  C      -5.247440      4.729497      4.402300
  O      -4.374321      5.339892      3.786704
  C      -6.325153      3.922458      3.718513
  N      -6.823839      2.903017      4.401505
  C      -7.707335      2.099751      3.758903
  N      -8.115412      2.203506      2.508212
  C      -7.647800      3.273039      1.803161
  C      -8.086351      3.451468      0.467272
  C      -7.665055      4.544769     -0.257327
  C      -6.799957      5.502118      0.326092
  C      -6.337631      5.347992      1.616962
  C      -6.735029      4.219976      2.383509
  C      -0.933418      0.201070      3.771274
  C      -0.155093      0.530574      2.495089
  O      -1.003770      1.257440      1.552230
  C      -1.500306      0.529145      0.526461
  O      -1.238295     -0.634423      0.286890
  C      -2.471583      1.333752     -0.302919
  N      -3.280695      2.151448      0.361866
  C      -4.232225      2.817169     -0.348078
  N      -4.428865      2.752169     -1.645647
  C      -3.593229      1.938936     -2.356004
  C      -3.755124      1.851110     -3.758865
  C      -2.923965      1.033803     -4.494198
  C      -1.903941      0.281712     -3.862330
  C      -1.716836      0.344127     -2.497906
  C      -2.561358      1.171655     -1.712801
  C      -4.851005      0.062399      5.892487
  C      -6.035921      0.134265      6.846472
  O      -6.171395      1.489598      7.332120
  C      -7.413951      2.008663      7.350103
  O      -8.422746      1.428046      6.990395
  C      -7.404455      3.408710      7.911725
  N      -6.549424      3.634563      8.900304
  C      -6.537131      4.887459      9.424983
  N      -7.237287      5.929316      9.022724
  C      -8.115019      5.714244      7.998299
  C      -8.881614      6.803046      7.516034
  C      -9.782514      6.608930      6.491164
  C      -9.954589      5.326279      5.916433
  C      -9.221380      4.246938      6.361969
  C      -8.276589      4.416518      7.406581
  H      -3.102721      4.858726      8.166523
  H      -4.218433      3.582662      7.686439
  H      -3.712004      5.991439      5.869399
  H      -4.899260      6.004013      7.223857
  H      -8.111592      1.273870      4.351792
  H      -8.768449      2.709358      0.051223
  H      -8.004461      4.682790     -1.284752
  H      -6.492021      6.371629     -0.256331
  H      -5.667667      6.084772      2.054710
  H      -1.971763     -0.023330      3.487965
  H      -0.514620     -0.733415      4.187896
  H       0.189431     -0.388298      2.005300
  H       0.696026      1.194442      2.691569
  H      -4.890079      3.467944      0.233886
  H      -4.544826      2.442752     -4.222566
  H      -3.048130      0.962386     -5.575777
  H      -1.258426     -0.356328     -4.467284
  H      -0.938426     -0.244887     -2.017092
  H      -5.082023      0.641674      4.988239
  H      -4.736958     -0.998146      5.594375
  H      -6.954833     -0.171056      6.328654
  H      -5.906133     -0.509553      7.728654
  H      -5.851318      5.042005     10.263752
  H      -8.738059      7.778231      7.982633
  H     -10.375601      7.447061      6.121631
  H     -10.679983      5.191112      5.112777
  H      -9.366299      3.260103      5.929107
  N      -3.436368      2.376323      4.002291
  N      -2.886005      3.170003      2.927186
  H      -3.345923      4.108284      2.936929
  H      -1.867280      3.308141      3.026272
  H      -3.050379      2.685382      1.982538
100
Coordinates from ORCA-job orca E -6707.596051018098
  N      -2.429677      3.727820      6.527143
  Mo     -2.583719      1.974660      5.588272
  N      -3.595506      0.565954      6.460010
  C      -3.042759     -0.191985      7.587494
  C      -2.146287      0.706240      8.423438
  N      -1.235696      1.480754      7.549072
  C      -0.819877      2.784591      8.130600
  C      -1.103996      3.901943      7.114612
  C      -0.102457      0.685902      7.031058
  C       0.278489      1.212546      5.648480
  N      -0.919798      1.247367      4.796165
  H      -0.345195      3.888237      6.317621
  H      -1.018139      4.888311      7.603673
  H       0.242158      2.762852      8.425892
  H      -1.410468      2.962945      9.039739
  H       1.050986      0.564384      5.203774
  H       0.725620      2.215139      5.731726
  H      -0.433457     -0.357798      6.930937
  H       0.752854      0.707805      7.729540
  H      -3.846429     -0.571726      8.238643
  H      -2.498771     -1.079150      7.211346
  H      -2.783048      1.431282      8.947476
  H      -1.592348      0.122178      9.180354
  C      -3.534249      4.337422      7.279215
  C      -4.346261      5.375465      6.518443
  O      -5.376827      4.713762      5.719120
  C      -5.252166      4.730503      4.395143
  O      -4.375108      5.336902      3.780648
  C      -6.323533      3.917294      3.708738
  N      -6.809805      2.885504      4.381931
  C      -7.684791      2.078797      3.732198
  N      -8.093496      2.188859      2.482228
  C      -7.642449      3.272734      1.788864
  C      -8.086770      3.461815      0.456299
  C      -7.685502      4.572204     -0.253674
  C      -6.833005      5.534741      0.340036
  C      -6.362816      5.369156      1.626649
  C      -6.741372      4.224979      2.378507
  C      -0.942621      0.194346      3.776238
  C      -0.167337      0.521810      2.497809
  O      -1.014193      1.252656      1.556026
  C      -1.549415      0.516926      0.554332
  O      -1.320514     -0.658125      0.347317
  C      -2.505355      1.328148     -0.285012
  N      -3.306091      2.160168      0.372133
  C      -4.242561      2.836873     -0.347619
  N      -4.424228      2.776114     -1.647433
  C      -3.593320      1.950743     -2.349632
  C      -3.733227      1.873104     -3.755460
  C      -2.901136      1.048327     -4.481646
  C      -1.905607      0.273963     -3.837809
  C      -1.744456      0.322068     -2.469754
  C      -2.585368      1.161965     -1.694485
  C      -4.844587      0.042254      5.906784
  C      -6.026084      0.112699      6.864641
  O      -6.164885      1.469360      7.346099
  C      -7.404525      1.997475      7.335923
  O      -8.408840      1.421595      6.956539
  C      -7.398459      3.394847      7.904070
  N      -6.551926      3.615102      8.901146
  C      -6.537368      4.866848      9.427481
  N      -7.225997      5.913805      9.018199
  C      -8.095667      5.704623      7.985969
  C      -8.849333      6.799556      7.496714
  C      -9.743445      6.612325      6.464955
  C      -9.921402      5.330422      5.890349
  C      -9.200213      4.245408      6.341729
  C      -8.261820      4.407637      7.393347
  H      -3.120463      4.846514      8.167364
  H      -4.236311      3.578684      7.667633
  H      -3.718643      5.994291      5.866259
  H      -4.908440      6.006890      7.218795
  H      -8.082366      1.245280      4.318768
  H      -8.759442      2.715979      0.031691
  H      -8.029872      4.719021     -1.278218
  H      -6.541244      6.416859     -0.231628
  H      -5.700881      6.108867      2.071621
  H      -1.980607     -0.037592      3.497893
  H      -0.517601     -0.734998      4.197921
  H       0.177515     -0.397462      2.008553
  H       0.683502      1.185246      2.696466
  H      -4.896520      3.498290      0.226790
  H      -4.505280      2.479403     -4.229852
  H      -3.006680      0.988645     -5.565974
  H      -1.260167     -0.371199     -4.435225
  H      -0.988115     -0.286603     -1.978216
  H      -5.082081      0.618679      5.002337
  H      -4.726283     -1.018184      5.610249
  H      -6.945945     -0.198196      6.351906
  H      -5.889625     -0.526281      7.749249
  H      -5.862150      5.015206     10.275866
  H      -8.700980      7.773337      7.964747
  H     -10.326739      7.454626      6.089397
  H     -10.641771      5.200266      5.081366
  H      -9.350804      3.259972      5.907704
  N      -3.448473      2.366107      4.004726
  N      -2.886070      3.166730      2.938216
  H      -3.335631      4.110043      2.953479
  H      -1.866002      3.288752      3.043030
  H      -3.055949      2.688610      1.991541
100
Coordinates from ORCA-job orca E -6707.596142626121
  N      -2.413801      3.732978      6.538093
  Mo     -2.567148      1.988443      5.582427
  N      -3.589539      0.575587      6.435326
  C      -3.045182     -0.193613      7.559237
  C      -2.153273      0.695027      8.409716
  N      -1.233958      1.474295      7.549164
  C      -0.818848      2.771396      8.145316
  C      -1.092387      3.898052      7.136976
  C      -0.099207      0.681111      7.031340
  C       0.290410      1.217429      5.654580
  N      -0.903262      1.260367      4.795845
  H      -0.328136      3.888417      6.345072
  H      -1.007079      4.880093      7.634789
  H       0.240895      2.744394      8.448212
  H      -1.415635      2.943678      9.051599
  H       1.064379      0.571160      5.209620
  H       0.738691      2.218636      5.747683
  H      -0.431368     -0.361266      6.921148
  H       0.752170      0.695998      7.734728
  H      -3.853780     -0.578670      8.201091
  H      -2.499353     -1.077658      7.178357
  H      -2.792148      1.417703      8.934471
  H      -1.607062      0.103021      9.166052
  C      -3.522335      4.336794      7.289167
  C      -4.335366      5.374511      6.529463
  O      -5.363233      4.712803      5.726822
  C      -5.242869      4.744322      4.402586
  O      -4.371074      5.361974      3.791953
  C      -6.312657      3.933713      3.711358
  N      -6.799655      2.899548      4.380224
  C      -7.671370      2.093121      3.726150
  N      -8.074962      2.204515      2.474605
  C      -7.623917      3.291060      1.785404
  C      -8.063843      3.481751      0.451645
  C      -7.663443      4.594956     -0.254267
  C      -6.816767      5.559071      0.345009
  C      -6.350965      5.392197      1.633107
  C      -6.727728      4.244583      2.380709
  C      -0.921610      0.216022      3.766399
  C      -0.142548      0.557110      2.492467
  O      -0.989383      1.282973      1.545795
  C      -1.559352      0.527432      0.577419
  O      -1.368681     -0.659491      0.399260
  C      -2.510363      1.338635     -0.268803
  N      -3.290358      2.197298      0.378635
  C      -4.221482      2.875923     -0.346119
  N      -4.417009      2.791292     -1.642709
  C      -3.608063      1.936396     -2.335016
  C      -3.764014      1.830613     -3.737426
  C      -2.955202      0.974791     -4.454136
  C      -1.967084      0.195903     -3.803891
  C      -1.791317      0.271120     -2.439071
  C      -2.607450      1.143559     -1.673314
  C      -4.835201      0.057616      5.869462
  C      -6.021758      0.114892      6.822334
  O      -6.167096      1.465066      7.319615
  C      -7.410116      1.985098      7.319764
  O      -8.412558      1.407206      6.938690
  C      -7.408760      3.381096      7.891399
  N      -6.561128      3.602445      8.887259
  C      -6.552981      4.852176      9.418710
  N      -7.247887      5.896908      9.014334
  C      -8.118534      5.686640      7.983019
  C      -8.879589      6.779001      7.499511
  C      -9.774741      6.590485      6.468862
  C      -9.946310      5.309777      5.889587
  C      -9.217990      4.227268      6.335494
  C      -8.278515      4.391015      7.385828
  H      -3.111340      4.845856      8.178613
  H      -4.222507      3.574953      7.675232
  H      -3.708149      5.996150      5.879669
  H      -4.899397      6.003481      7.230683
  H      -8.067399      1.256159      4.308875
  H      -8.732125      2.734447      0.022730
  H      -8.004896      4.743385     -1.279580
  H      -6.526775      6.444114     -0.223058
  H      -5.693596      6.133369      2.082207
  H      -1.958402     -0.014574      3.482601
  H      -0.497762     -0.716417      4.181969
  H       0.217345     -0.355225      2.001381
  H       0.696384      1.232610      2.699756
  H      -4.861596      3.556868      0.221088
  H      -4.530056      2.440288     -4.217205
  H      -3.073925      0.893641     -5.535686
  H      -1.339919     -0.474063     -4.393348
  H      -1.041060     -0.340979     -1.941937
  H      -5.068755      0.644003      4.970383
  H      -4.714129     -0.999342      5.561825
  H      -6.938488     -0.192277      6.301698
  H      -5.888715     -0.534545      7.699832
  H      -5.874865      5.001943     10.264559
  H      -8.735860      7.751786      7.971067
  H     -10.363848      7.430726      6.097781
  H     -10.667582      5.178524      5.081567
  H      -9.363252      3.242631      5.897815
  N      -3.424160      2.397466      3.999553
  N      -2.859841      3.204479      2.937789
  H      -3.312351      4.145915      2.956151
  H      -1.840120      3.331703      3.042419
  H      -3.026747      2.724370      1.990249
100
Coordinates from ORCA-job orca E -6707.596195757259
  N      -2.408816      3.733242      6.532511
  Mo     -2.566602      1.991243      5.574352
  N      -3.596064      0.584467      6.429213
  C      -3.052126     -0.187595      7.551288
  C      -2.156228      0.696987      8.401016
  N      -1.233591      1.471503      7.540270
  C      -0.812291      2.766782      8.135914
  C      -1.086309      3.895504      7.129425
  C      -0.103597      0.672844      7.021465
  C       0.286095      1.206372      5.644428
  N      -0.909195      1.253760      4.788028
  H      -0.323587      3.885218      6.335749
  H      -0.998279      4.876967      7.627871
  H       0.248647      2.736475      8.434007
  H      -1.404435      2.940244      9.045003
  H       1.056591      0.556203      5.199094
  H       0.738805      2.205838      5.735972
  H      -0.440703     -0.368101      6.911955
  H       0.748901      0.683847      7.723556
  H      -3.860994     -0.570411      8.194182
  H      -2.509750     -1.073236      7.169074
  H      -2.791190      1.423221      8.925591
  H      -1.612959      0.102257      9.157358
  C      -3.515024      4.338463      7.285862
  C      -4.330724      5.375210      6.527982
  O      -5.362209      4.711847      5.731703
  C      -5.250914      4.745146      4.406773
  O      -4.383085      5.362933      3.791001
  C      -6.326440      3.936613      3.722863
  N      -6.818620      2.910909      4.400822
  C      -7.693326      2.102046      3.753983
  N      -8.095550      2.203778      2.501106
  C      -7.638773      3.281667      1.801910
  C      -8.075983      3.460828      0.465681
  C      -7.668682      4.564455     -0.251174
  C      -6.818620      5.530744      0.339543
  C      -6.356188      5.375360      1.630269
  C      -6.739089      4.237096      2.388939
  C      -0.930090      0.211801      3.755960
  C      -0.141446      0.550836      2.487520
  O      -0.977436      1.282380      1.536873
  C      -1.564793      0.524942      0.580293
  O      -1.399231     -0.667805      0.418654
  C      -2.501376      1.341821     -0.274715
  N      -3.284753      2.202854      0.365179
  C      -4.205817      2.886214     -0.368507
  N      -4.389187      2.804011     -1.667367
  C      -3.577299      1.946112     -2.351917
  C      -3.718876      1.841255     -3.755687
  C      -2.907317      0.981167     -4.463694
  C      -1.929752      0.197679     -3.802645
  C      -1.767450      0.272336     -2.435931
  C      -2.587394      1.148845     -1.679990
  C      -4.843732      0.069620      5.865588
  C      -6.026918      0.124664      6.823321
  O      -6.171256      1.472660      7.326264
  C      -7.414619      1.991409      7.335595
  O      -8.419346      1.414062      6.960066
  C      -7.408787      3.389304      7.903147
  N      -6.553452      3.613581      8.891769
  C      -6.543123      4.864072      9.421598
  N      -7.242928      5.907083      9.021297
  C      -8.121389      5.693884      7.997161
  C      -8.888136      6.784320      7.518370
  C      -9.791386      6.592924      6.495294
  C      -9.965584      5.311073      5.919255
  C      -9.232015      4.230394      6.360964
  C      -8.284041      4.397215      7.403016
  H      -3.099788      4.849800      8.172113
  H      -4.213442      3.577227      7.676365
  H      -3.706474      5.995114      5.873715
  H      -4.890922      6.006503      7.230367
  H      -8.091657      1.270903      4.343457
  H      -8.746693      2.712017      0.043242
  H      -8.008184      4.704377     -1.278359
  H      -6.524018      6.408776     -0.236988
  H      -5.696697      6.118768      2.072576
  H      -1.967572     -0.009497      3.467661
  H      -0.516567     -0.725074      4.171780
  H       0.219687     -0.360538      1.995962
  H       0.696977      1.224568      2.702321
  H      -4.849503      3.568585      0.192881
  H      -4.477138      2.454345     -4.243409
  H      -3.015570      0.900078     -5.546309
  H      -1.299430     -0.475377     -4.385100
  H      -1.024620     -0.343049     -1.931112
  H      -5.079619      0.658460      4.968688
  H      -4.724741     -0.986779      5.555190
  H      -6.945969     -0.181612      6.306120
  H      -5.890262     -0.527336      7.698392
  H      -5.857714      5.016417     10.261124
  H      -8.742090      7.757855      7.987674
  H     -10.385150      7.431531      6.127946
  H     -10.693345      5.177422      5.117454
  H      -9.378826      3.244804      5.925863
  N      -3.430103      2.401972      3.993594
  N      -2.873434      3.205081      2.927531
  H      -3.321710      4.148061      2.947701
  H      -1.851836      3.324383      3.022513
  H      -3.049524      2.729984      1.982544
100
Coordinates from ORCA-job orca E -6707.596253572646
  N      -2.401369      3.735647      6.545970
  Mo     -2.554564      2.001123      5.573865
  N      -3.588823      0.590660      6.417165
  C      -3.046841     -0.189869      7.534328
  C      -2.153572      0.688182      8.393253
  N      -1.227922      1.468549      7.541221
  C      -0.809078      2.759386      8.147633
  C      -1.081470      3.895079      7.148821
  C      -0.096102      0.673535      7.020592
  C       0.296494      1.215408      5.647713
  N      -0.897362      1.266755      4.789462
  H      -0.316016      3.891425      6.357546
  H      -0.996124      4.873003      7.654606
  H       0.251244      2.727995      8.447636
  H      -1.403502      2.925657      9.056531
  H       1.068931      0.568735      5.200615
  H       0.747674      2.215021      5.745920
  H      -0.432574     -0.366827      6.903507
  H       0.754466      0.680276      7.725032
  H      -3.856857     -0.578009      8.172519
  H      -2.502908     -1.072216      7.146684
  H      -2.789955      1.410858      8.921014
  H      -1.613067      0.087677      9.147028
  C      -3.511464      4.335113      7.298266
  C      -4.329512      5.369212      6.539726
  O      -5.354203      4.702781      5.737489
  C      -5.243324      4.751831      4.412873
  O      -4.377422      5.379462      3.804419
  C      -6.315246      3.946888      3.719608
  N      -6.812456      2.919171      4.390871
  C      -7.684842      2.113964      3.736490
  N      -8.080916      2.221572      2.482118
  C      -7.619639      3.302040      1.789743
  C      -8.051122      3.487902      0.452586
  C      -7.640419      4.594938     -0.256990
  C      -6.792805      5.558051      0.342166
  C      -6.335534      5.395888      1.634004
  C      -6.721790      4.254014      2.385262
  C      -0.918198      0.229299      3.752674
  C      -0.127543      0.575058      2.487616
  O      -0.965490      1.302613      1.536110
  C      -1.574306      0.537490      0.599309
  O      -1.423135     -0.659407      0.461683
  C      -2.511204      1.349245     -0.260883
  N      -3.280327      2.227681      0.372084
  C      -4.201152      2.909197     -0.363191
  N      -4.396927      2.809404     -1.659094
  C      -3.600923      1.931708     -2.336975
  C      -3.757156      1.805610     -3.737591
  C      -2.962228      0.925759     -4.440266
  C      -1.986743      0.141758     -3.776355
  C      -1.811841      0.236051     -2.412623
  C      -2.613290      1.134193     -1.661764
  C      -4.833285      0.077163      5.845623
  C      -6.019624      0.120717      6.800204
  O      -6.170922      1.464133      7.312728
  C      -7.415749      1.978955      7.319238
  O      -8.417733      1.399869      6.939420
  C      -7.415193      3.375784      7.889955
  N      -6.562129      3.601029      8.880252
  C      -6.557174      4.850393      9.412932
  N      -7.261103      5.891459      9.014699
  C      -8.137055      5.677226      7.988537
  C      -8.907566      6.765663      7.511297
  C      -9.808466      6.573196      6.486307
  C      -9.976429      5.292117      5.906629
  C      -9.239034      4.213433      6.346830
  C      -8.293363      4.381540      7.390689
  H      -3.098899      4.848967      8.184334
  H      -4.206657      3.570719      7.688371
  H      -3.705824      5.993159      5.888847
  H      -4.894698      5.997143      7.241242
  H      -8.088255      1.281773      4.321033
  H      -8.720383      2.741430      0.023768
  H      -7.975754      4.740394     -1.284786
  H      -6.495983      6.439227     -0.228417
  H      -5.677851      6.137155      2.082572
  H      -1.955941      0.011800      3.462654
  H      -0.508343     -0.710730      4.164889
  H       0.244210     -0.331310      1.994738
  H       0.703426      1.256480      2.707245
  H      -4.832158      3.607573      0.193005
  H      -4.513414      2.419336     -4.227675
  H      -3.082376      0.829157     -5.520321
  H      -1.368839     -0.546896     -4.353808
  H      -1.070484     -0.379397     -1.905384
  H      -5.067975      0.673122      4.953125
  H      -4.710568     -0.976357      5.526909
  H      -6.936066     -0.185334      6.278214
  H      -5.883538     -0.537516      7.670680
  H      -5.874242      5.003241     10.254390
  H      -8.766280      7.738502      7.983508
  H     -10.405277      7.410243      6.120339
  H     -10.702454      5.157423      5.103431
  H      -9.380570      3.228263      5.908943
  N      -3.412231      2.422328      3.992829
  N      -2.856592      3.232820      2.931385
  H      -3.307881      4.174211      2.957003
  H      -1.835052      3.356293      3.023252
  H      -3.033539      2.756783      1.985135
100
Coordinates from ORCA-job orca E -6707.596308683808
  N      -2.405465      3.736763      6.551802
  Mo     -2.552415      2.005731      5.572708
  N      -3.581188      0.588864      6.411952
  C      -3.034691     -0.194289      7.525126
  C      -2.143883      0.684053      8.386565
  N      -1.221916      1.471316      7.536667
  C      -0.807848      2.761192      8.148069
  C      -1.086329      3.900236      7.154968
  C      -0.087484      0.682590      7.012056
  C       0.301367      1.230836      5.640695
  N      -0.893823      1.279819      4.784064
  H      -0.320695      3.905050      6.363771
  H      -1.006087      4.875969      7.665750
  H       0.253052      2.733126      8.446391
  H      -1.401823      2.920536      9.058432
  H       1.076313      0.589515      5.190250
  H       0.747731      2.232296      5.742155
  H      -0.419858     -0.358720      6.891973
  H       0.763794      0.690349      7.715669
  H      -3.842165     -0.587912      8.163200
  H      -2.488064     -1.073176      7.133509
  H      -2.782415      1.402429      8.917531
  H      -1.600516      0.082673      9.137632
  C      -3.518542      4.328135      7.306221
  C      -4.339136      5.362753      6.551103
  O      -5.358049      4.696176      5.741756
  C      -5.242589      4.754373      4.417783
  O      -4.375907      5.388134      3.816709
  C      -6.309456      3.950905      3.714685
  N      -6.803793      2.914803      4.375215
  C      -7.672836      2.113268      3.711731
  N      -8.069017      2.232963      2.458495
  C      -7.610740      3.321983      1.777634
  C      -8.043158      3.521140      0.442677
  C      -7.636265      4.637304     -0.254750
  C      -6.791019      5.596142      0.354640
  C      -6.332219      5.420678      1.644237
  C      -6.715420      4.269900      2.383121
  C      -0.912883      0.244330      3.744966
  C      -0.123636      0.593387      2.479822
  O      -0.962185      1.314683      1.524272
  C      -1.611173      0.535862      0.627408
  O      -1.500939     -0.670548      0.531954
  C      -2.534247      1.347513     -0.246765
  N      -3.292464      2.244278      0.372799
  C      -4.201182      2.929846     -0.374352
  N      -4.391290      2.818981     -1.670180
  C      -3.605018      1.921635     -2.334294
  C      -3.752654      1.782665     -3.734560
  C      -2.966244      0.882758     -4.421732
  C      -2.009041      0.089607     -3.742265
  C      -1.843675      0.195759     -2.378170
  C      -2.635153      1.116256     -1.644341
  C      -4.824283      0.073052      5.839544
  C      -6.010830      0.110907      6.793937
  O      -6.166307      1.453047      7.308337
  C      -7.410849      1.968450      7.304675
  O      -8.409651      1.389551      6.916292
  C      -7.415657      3.362305      7.882907
  N      -6.568763      3.583794      8.879328
  C      -6.567815      4.830709      9.417552
  N      -7.270594      5.872928      9.020283
  C      -8.139843      5.662792      7.987673
  C      -8.908229      6.752896      7.510815
  C      -9.802289      6.564740      6.479065
  C      -9.965169      5.286437      5.891865
  C      -9.229610      4.206241      6.331442
  C      -8.291199      4.369837      7.382628
  H      -3.109114      4.839252      8.195352
  H      -4.211024      3.559011      7.691583
  H      -3.715971      5.992533      5.905311
  H      -4.908895      5.984986      7.253923
  H      -8.075153      1.274670      4.287723
  H      -8.710792      2.777715      0.006086
  H      -7.972477      4.793187     -1.280725
  H      -6.496810      6.484346     -0.206326
  H      -5.676588      6.158960      2.100781
  H      -1.950814      0.025981      3.456439
  H      -0.501903     -0.695956      4.155599
  H       0.255198     -0.311726      1.989695
  H       0.702807      1.280537      2.698402
  H      -4.823885      3.644217      0.170866
  H      -4.495183      2.402991     -4.237239
  H      -3.079559      0.776885     -5.501652
  H      -1.398224     -0.615225     -4.307595
  H      -1.116794     -0.426496     -1.858133
  H      -5.060549      0.670921      4.948748
  H      -4.698635     -0.979184      5.517684
  H      -6.926149     -0.197313      6.271335
  H      -5.872491     -0.548059      7.663521
  H      -5.890325      4.980113     10.263988
  H      -8.770729      7.723487      7.988727
  H     -10.397389      7.403085      6.113292
  H     -10.685700      5.155110      5.083195
  H      -9.367183      3.223153      5.887736
  N      -3.412837      2.430338      3.993324
  N      -2.858099      3.245059      2.934551
  H      -3.306275      4.188004      2.966207
  H      -1.835470      3.362278      3.022466
  H      -3.043335      2.773749      1.986851
100
Coordinates from ORCA-job orca E -6707.596356739757
  N      -2.411313      3.733098      6.559400
  Mo     -2.554196      2.006048      5.574791
  N      -3.579050      0.588848      6.417843
  C      -3.027208     -0.196205      7.526865
  C      -2.132578      0.681284      8.385648
  N      -1.214615      1.470571      7.533019
  C      -0.800216      2.760550      8.144023
  C      -1.089615      3.901370      7.155832
  C      -0.081474      0.684184      7.003201
  C       0.302470      1.236956      5.632675
  N      -0.895745      1.285888      4.780835
  H      -0.327247      3.913208      6.361388
  H      -1.011674      4.875882      7.669282
  H       0.263195      2.735202      8.433627
  H      -1.387285      2.915586      9.059524
  H       1.077410      0.599034      5.177475
  H       0.746593      2.239238      5.736156
  H      -0.413263     -0.357184      6.882160
  H       0.772095      0.690790      7.704181
  H      -3.831275     -0.590660      8.168922
  H      -2.482819     -1.075029      7.132131
  H      -2.768645      1.398578      8.920914
  H      -1.585842      0.078450      9.133170
  C      -3.523069      4.322081      7.317302
  C      -4.346323      5.355839      6.563998
  O      -5.357426      4.686740      5.747603
  C      -5.236371      4.747746      4.424223
  O      -4.369479      5.385532      3.827544
  C      -6.299446      3.942902      3.716006
  N      -6.788881      2.901174      4.371661
  C      -7.656906      2.100831      3.705130
  N      -8.057762      2.227864      2.454132
  C      -7.603758      3.322030      1.778638
  C      -8.041297      3.528684      0.446464
  C      -7.638493      4.649502     -0.245946
  C      -6.791560      5.605331      0.365952
  C      -6.327856      5.422611      1.652834
  C      -6.707811      4.267604      2.386751
  C      -0.919781      0.251306      3.742013
  C      -0.131457      0.597895      2.477102
  O      -0.969151      1.320762      1.522842
  C      -1.631910      0.543981      0.637190
  O      -1.530168     -0.664882      0.563055
  C      -2.548579      1.353059     -0.245002
  N      -3.310641      2.250857      0.368468
  C      -4.216622      2.933253     -0.385215
  N      -4.399591      2.819085     -1.681730
  C      -3.608897      1.920506     -2.339504
  C      -3.747723      1.777569     -3.740259
  C      -2.957355      0.875282     -4.420076
  C      -2.005489      0.082855     -3.732533
  C      -1.848805      0.192885     -2.367645
  C      -2.643686      1.117098     -1.642100
  C      -4.822705      0.071806      5.847411
  C      -6.008316      0.109384      6.802663
  O      -6.166479      1.452829      7.312931
  C      -7.410177      1.969999      7.297973
  O      -8.406289      1.391592      6.901811
  C      -7.419071      3.362917      7.878761
  N      -6.579739      3.582365      8.882002
  C      -6.582381      4.828303      9.422315
  N      -7.282416      5.871333      9.022375
  C      -8.143372      5.663653      7.982437
  C      -8.908019      6.754812      7.502070
  C      -9.793069      6.569335      6.462084
  C      -9.950361      5.292802      5.869651
  C      -9.218348      4.211562      6.312561
  C      -8.289569      4.372157      7.372920
  H      -3.112543      4.834028      8.205515
  H      -4.213111      3.551480      7.703830
  H      -3.723001      5.991368      5.923919
  H      -4.921697      5.972467      7.267081
  H      -8.054017      1.256537      4.276324
  H      -8.709827      2.786978      0.008285
  H      -7.978675      4.810929     -1.269743
  H      -6.499324      6.496773     -0.190884
  H      -5.671690      6.158974      2.111637
  H      -1.959652      0.039253      3.456213
  H      -0.513710     -0.691919      4.151154
  H       0.243823     -0.309450      1.987885
  H       0.700256      1.280257      2.691050
  H      -4.844029      3.647107      0.155028
  H      -4.486611      2.397175     -4.249212
  H      -3.063714      0.766326     -5.500392
  H      -1.392170     -0.624221     -4.292361
  H      -1.125401     -0.428150     -1.841254
  H      -5.060102      0.669317      4.956704
  H      -4.696908     -0.980417      5.525424
  H      -6.923001     -0.202513      6.281237
  H      -5.867295     -0.546511      7.674157
  H      -5.910415      4.976257     10.273360
  H      -8.774883      7.724306      7.983414
  H     -10.384890      7.408829      6.093638
  H     -10.663499      5.163668      5.054120
  H      -9.351544      3.229611      5.865235
  N      -3.418470      2.428612      3.995807
  N      -2.866410      3.240444      2.934625
  H      -3.304752      4.188022      2.975772
  H      -1.841303      3.344720      3.011251
  H      -3.068305      2.780435      1.984068
100
Coordinates from ORCA-job orca E -6707.596402470818
  N      -2.414526      3.733887      6.565589
  Mo     -2.550407      2.012200      5.570788
  N      -3.575642      0.590494      6.405633
  C      -3.025819     -0.198514      7.512749
  C      -2.134099      0.676249      8.377428
  N      -1.214649      1.470041      7.530520
  C      -0.803493      2.757982      8.147925
  C      -1.094180      3.902699      7.164765
  C      -0.078869      0.687937      6.999997
  C       0.307883      1.248754      5.633164
  N      -0.887947      1.298854      4.778247
  H      -0.330413      3.920735      6.371791
  H      -1.019711      4.874949      7.683078
  H       0.259707      2.733426      8.438404
  H      -1.391561      2.907547      9.063714
  H       1.085655      0.615283      5.176589
  H       0.749063      2.251552      5.743573
  H      -0.408357     -0.353515      6.873392
  H       0.772832      0.692709      7.703294
  H      -3.830996     -0.596570      8.151260
  H      -2.479563     -1.075253      7.115962
  H      -2.772136      1.390926      8.913813
  H      -1.588827      0.070773      9.123852
  C      -3.528706      4.317786      7.323819
  C      -4.351261      5.354422      6.573784
  O      -5.357991      4.688759      5.749786
  C      -5.231667      4.754745      4.427275
  O      -4.364043      5.396639      3.836093
  C      -6.291823      3.951257      3.712870
  N      -6.782741      2.907453      4.364136
  C      -7.649865      2.109780      3.693284
  N      -8.049148      2.241517      2.442301
  C      -7.593478      3.337747      1.771356
  C      -8.029425      3.549482      0.439465
  C      -7.624556      4.672068     -0.248869
  C      -6.776785      5.624640      0.367008
  C      -6.315203      5.437424      1.654014
  C      -6.697613      4.280566      2.383967
  C      -0.907027      0.268727      3.734650
  C      -0.119614      0.623429      2.470699
  O      -0.959578      1.339884      1.512244
  C      -1.643942      0.552084      0.653102
  O      -1.566010     -0.660183      0.604832
  C      -2.557512      1.355708     -0.237446
  N      -3.313807      2.264932      0.366550
  C      -4.217075      2.942650     -0.394720
  N      -4.400977      2.814273     -1.689627
  C      -3.616294      1.902957     -2.337262
  C      -3.757592      1.743426     -3.735931
  C      -2.974660      0.826525     -4.404672
  C      -2.028138      0.035497     -3.708191
  C      -1.868403      0.161998     -2.345090
  C      -2.655560      1.101936     -1.631165
  C      -4.817333      0.074549      5.829654
  C      -6.004901      0.106466      6.782469
  O      -6.165463      1.447499      7.298550
  C      -7.409831      1.963121      7.285498
  O      -8.404701      1.386678      6.883206
  C      -7.421209      3.352389      7.874626
  N      -6.584509      3.566062      8.881314
  C      -6.590077      4.808330      9.430003
  N      -7.291376      5.852867      9.036246
  C      -8.149874      5.651075      7.993095
  C      -8.915717      6.744098      7.518936
  C      -9.797938      6.564370      6.475542
  C      -9.951412      5.291895      5.873514
  C      -9.218427      4.208897      6.310429
  C      -8.292262      4.363731      7.373965
  H      -3.120717      4.826383      8.215109
  H      -4.218643      3.544583      7.705456
  H      -3.726188      5.995348      5.940727
  H      -4.930479      5.965350      7.278672
  H      -8.047235      1.262970      4.260599
  H      -8.698128      2.809772     -0.001807
  H      -7.963455      4.837110     -1.272511
  H      -6.482314      6.517372     -0.186574
  H      -5.658375      6.171072      2.116106
  H      -1.945778      0.053810      3.447029
  H      -0.497770     -0.674636      4.140058
  H       0.263781     -0.281440      1.982983
  H       0.706392      1.312431      2.684634
  H      -4.841112      3.665398      0.137426
  H      -4.492634      2.361660     -4.252049
  H      -3.082927      0.704363     -5.483394
  H      -1.421780     -0.683803     -4.259981
  H      -1.148914     -0.457573     -1.811514
  H      -5.053467      0.675865      4.941169
  H      -4.689635     -0.976033      5.503084
  H      -6.917995     -0.204112      6.257491
  H      -5.864835     -0.553083      7.651324
  H      -5.920287      4.951420     10.283612
  H      -8.785800      7.710499      8.007324
  H     -10.390521      7.405476      6.112023
  H     -10.662331      5.167289      5.055342
  H      -9.348845      3.229782      5.856082
  N      -3.411617      2.439376      3.991850
  N      -2.861108      3.253736      2.931590
  H      -3.295925      4.202648      2.978806
  H      -1.835447      3.354534      3.003193
  H      -3.070099      2.798342      1.980119
100
Coordinates from ORCA-job orca E -6707.596459292428
  N      -2.418961      3.733162      6.572854
  Mo     -2.546575      2.017131      5.567673
  N      -3.571252      0.591158      6.395583
  C      -3.024265     -0.200150      7.502270
  C      -2.134274      0.672167      8.371309
  N      -1.213446      1.468786      7.528687
  C      -0.804395      2.755515      8.150469
  C      -1.098665      3.903197      7.171892
  C      -0.075545      0.690224      6.997959
  C       0.314733      1.260213      5.635497
  N      -0.878096      1.312125      4.777084
  H      -0.335308      3.927122      6.378725
  H      -1.026731      4.873640      7.694093
  H       0.259116      2.732030      8.439811
  H      -1.391575      2.900405      9.067618
  H       1.095530      0.631593      5.177398
  H       0.752840      2.263319      5.754108
  H      -0.403554     -0.350922      6.864842
  H       0.773969      0.692116      7.703928
  H      -3.831021     -0.600171      8.137574
  H      -2.476777     -1.075832      7.104698
  H      -2.773560      1.385163      8.908453
  H      -1.590191      0.064694      9.116872
  C      -3.533922      4.313678      7.331873
  C      -4.355738      5.354163      6.586284
  O      -5.359461      4.695110      5.754220
  C      -5.225304      4.764807      4.432923
  O      -4.353818      5.407804      3.848847
  C      -6.283321      3.965318      3.710623
  N      -6.778075      2.919220      4.355167
  C      -7.644423      2.126530      3.677633
  N      -8.040668      2.265358      2.426495
  C      -7.580645      3.363679      1.762202
  C      -8.012476      3.582713      0.430158
  C      -7.601795      4.706568     -0.252552
  C      -6.751860      5.653316      0.369334
  C      -6.295035      5.459683      1.657034
  C      -6.683908      4.301332      2.381749
  C      -0.892327      0.285328      3.730077
  C      -0.108260      0.648653      2.465791
  O      -0.953204      1.359057      1.505490
  C      -1.648507      0.562596      0.662706
  O      -1.580587     -0.650269      0.630325
  C      -2.565169      1.357625     -0.232902
  N      -3.317672      2.275978      0.362875
  C      -4.221549      2.945762     -0.404932
  N      -4.410938      2.799347     -1.697022
  C      -3.630900      1.877629     -2.335533
  C      -3.780269      1.698142     -3.730977
  C      -3.002442      0.769906     -4.389835
  C      -2.052175     -0.011375     -3.687157
  C      -1.883043      0.136098     -2.327433
  C      -2.666662      1.086074     -1.623163
  C      -4.811029      0.075732      5.814416
  C      -6.000638      0.103171      6.764704
  O      -6.164043      1.442449      7.284943
  C      -7.410186      1.953800      7.277239
  O      -8.403794      1.377264      6.871729
  C      -7.425448      3.340237      7.872263
  N      -6.591617      3.550492      8.882098
  C      -6.602120      4.789751      9.437688
  N      -7.305300      5.834510      9.047957
  C      -8.161088      5.636076      8.001840
  C      -8.929266      6.729265      7.531909
  C      -9.808266      6.552500      6.485287
  C      -9.956607      5.282925      5.875960
  C      -9.221724      4.199703      6.309017
  C      -8.298411      4.351740      7.375425
  H      -3.127140      4.818762      8.225683
  H      -4.224169      3.538653      7.709372
  H      -3.728867      6.001665      5.961542
  H      -4.938644      5.957768      7.294463
  H      -8.043877      1.276994      4.239473
  H      -8.682041      2.846737     -0.016006
  H      -7.937403      4.876736     -1.276430
  H      -6.452223      6.547128     -0.179724
  H      -5.636431      6.188533      2.124112
  H      -1.929396      0.064390      3.441156
  H      -0.476748     -0.656897      4.131204
  H       0.281175     -0.253928      1.978405
  H       0.712849      1.343741      2.677815
  H      -4.841394      3.677728      0.119578
  H      -4.517569      2.309487     -4.251977
  H      -3.116778      0.631148     -5.465941
  H      -1.450719     -0.739943     -4.232138
  H      -1.160188     -0.475234     -1.788958
  H      -5.045952      0.679666      4.927399
  H      -4.681275     -0.973565      5.484669
  H      -6.912003     -0.206659      6.236271
  H      -5.861622     -0.558746      7.631836
  H      -5.933714      4.930317     10.292836
  H      -8.803931      7.693667      8.025413
  H     -10.402378      7.394006      6.125189
  H     -10.664986      5.160772      5.055206
  H      -9.348568      3.222474      5.849495
  N      -3.403468      2.446320      3.988199
  N      -2.858731      3.262822      2.926821
  H      -3.289897      4.212830      2.981644
  H      -1.832393      3.361972      2.991739
  H      -3.075597      2.813735      1.974290
100
Coordinates from ORCA-job orca E -6707.596515847538
  N      -2.424978      3.732257      6.581118
  Mo     -2.543241      2.021838      5.565785
  N      -3.566475      0.591290      6.387205
  C      -3.022698     -0.201144      7.494548
  C      -2.133741      0.669229      8.366690
  N      -1.212030      1.467983      7.527299
  C      -0.804802      2.754080      8.152409
  C      -1.104130      3.904377      7.178436
  C      -0.072078      0.692740      6.996765
  C       0.322209      1.272907      5.639352
  N      -0.867183      1.326845      4.776977
  H      -0.342280      3.934497      6.384042
  H      -1.034567      4.873071      7.704334
  H       0.259271      2.731964      8.439566
  H      -1.390265      2.894391      9.071389
  H       1.106659      0.649859      5.179920
  H       0.756492      2.276479      5.767077
  H      -0.399217     -0.347657      6.855650
  H       0.774873      0.690792      7.705830
  H      -3.831322     -0.601764      8.127013
  H      -2.474486     -1.076428      7.096890
  H      -2.773940      1.380768      8.904741
  H      -1.590184      0.060350      9.111403
  C      -3.539706      4.309714      7.341774
  C      -4.359401      5.357073      6.603497
  O      -5.361010      4.707188      5.762224
  C      -5.216126      4.776884      4.442374
  O      -4.337736      5.416679      3.865391
  C      -6.271608      3.981203      3.712349
  N      -6.770527      2.933121      4.350338
  C      -7.634687      2.144359      3.665622
  N      -8.026652      2.289583      2.413853
  C      -7.562334      3.390020      1.756120
  C      -7.988998      3.615924      0.423540
  C      -7.572273      4.741074     -0.253270
  C      -6.720863      5.682275      0.375003
  C      -6.269540      5.482450      1.663596
  C      -6.665425      4.322842      2.382904
  C      -0.877536      0.300982      3.729077
  C      -0.099997      0.671615      2.462297
  O      -0.952963      1.376249      1.503649
  C      -1.649034      0.572962      0.666957
  O      -1.576091     -0.639014      0.640517
  C      -2.572643      1.357943     -0.230556
  N      -3.324091      2.281117      0.359789
  C      -4.233046      2.940603     -0.411103
  N      -4.430630      2.777645     -1.699767
  C      -3.652989      1.850125     -2.332151
  C      -3.814905      1.651397     -3.723641
  C      -3.040233      0.716404     -4.376211
  C      -2.080110     -0.051133     -3.671605
  C      -1.897169      0.116526     -2.316116
  C      -2.679325      1.071535     -1.617317
  C      -4.803656      0.075202      5.800512
  C      -5.996501      0.098808      6.746870
  O      -6.163920      1.436826      7.269676
  C      -7.411886      1.943671      7.264680
  O      -8.403588      1.366057      6.855901
  C      -7.432481      3.327120      7.866007
  N      -6.602221      3.534143      8.879538
  C      -6.617496      4.770654      9.441340
  N      -7.321827      5.815666      9.054499
  C      -8.173774      5.620549      8.004559
  C      -8.942542      6.714317      7.537017
  C      -9.817520      6.540548      6.486515
  C      -9.961464      5.273498      5.870964
  C      -9.226047      4.189727      6.301716
  C      -8.306416      4.338937      7.371635
  H      -3.133615      4.807851      8.239793
  H      -4.231838      3.533058      7.712422
  H      -3.730697      6.012249      5.988603
  H      -4.945688      5.951685      7.316504
  H      -8.036457      1.292329      4.222068
  H      -8.658899      2.883573     -0.028037
  H      -7.903847      4.916149     -1.277631
  H      -6.416027      6.577129     -0.169491
  H      -5.609802      6.206776      2.136157
  H      -1.912779      0.070644      3.441156
  H      -0.452340     -0.638362      4.126587
  H       0.293293     -0.228704      1.973701
  H       0.716861      1.372541      2.670871
  H      -4.850400      3.678108      0.108401
  H      -4.559214      2.252958     -4.245980
  H      -3.163976      0.561321     -5.449059
  H      -1.481996     -0.785510     -4.212476
  H      -1.166439     -0.484037     -1.776280
  H      -5.036664      0.680668      4.914078
  H      -4.670942     -0.973089      5.468928
  H      -6.905502     -0.210970      6.214319
  H      -5.859476     -0.564422      7.613249
  H      -5.953305      4.907952     10.300309
  H      -8.821417      7.676928      8.035036
  H     -10.412014      7.382676      6.128490
  H     -10.666829      5.153741      5.047260
  H      -9.350107      3.214244      5.837655
  N      -3.393464      2.451158      3.984523
  N      -2.855220      3.270982      2.922500
  H      -3.280596      4.223102      2.986871
  H      -1.828097      3.366421      2.980544
  H      -3.081177      2.830264      1.968741
100
Coordinates from ORCA-job orca E -6707.596570617183
  N      -2.429548      3.731643      6.590707
  Mo     -2.539191      2.027098      5.565183
  N      -3.558299      0.590367      6.380605
  C      -3.015330     -0.203061      7.487711
  C      -2.126978      0.666161      8.361628
  N      -1.206357      1.468048      7.524322
  C      -0.801059      2.753441      8.152900
  C      -1.107884      3.907107      7.185259
  C      -0.064965      0.696851      6.992075
  C       0.330835      1.288109      5.639882
  N      -0.856538      1.343339      4.775322
  H      -0.348401      3.945551      6.388854
  H      -1.041379      4.873342      7.716096
  H       0.264032      2.733380      8.436168
  H      -1.383687      2.887799      9.074542
  H       1.119333      0.672061      5.178017
  H       0.759689      2.292794      5.776472
  H      -0.391473     -0.342493      6.841792
  H       0.780328      0.690357      7.703098
  H      -3.824685     -0.604519      8.118601
  H      -2.466489     -1.077490      7.088928
  H      -2.767885      1.375451      8.901838
  H      -1.582323      0.056197      9.104644
  C      -3.544312      4.304686      7.353599
  C      -4.362184      5.359270      6.623523
  O      -5.361347      4.718306      5.772439
  C      -5.205271      4.790923      4.454095
  O      -4.319937      5.428980      3.886090
  C      -6.256858      4.000155      3.713673
  N      -6.758389      2.947296      4.341449
  C      -7.618783      2.163195      3.646827
  N      -8.006073      2.318359      2.394772
  C      -7.539665      3.424199      1.747616
  C      -7.961975      3.661329      0.415571
  C      -7.542145      4.791616     -0.250618
  C      -6.691409      5.726688      0.387668
  C      -6.244365      5.516070      1.675961
  C      -6.644263      4.351395      2.384860
  C      -0.865157      0.315078      3.729736
  C      -0.096135      0.689239      2.458787
  O      -0.957264      1.389315      1.504400
  C      -1.660613      0.580304      0.678680
  O      -1.588136     -0.631877      0.662198
  C      -2.587151      1.358523     -0.221812
  N      -3.331665      2.292450      0.360330
  C      -4.241215      2.945950     -0.415123
  N      -4.448423      2.764097     -1.699801
  C      -3.678618      1.824529     -2.323583
  C      -3.852978      1.603963     -3.710373
  C      -3.085233      0.657433     -4.354423
  C      -2.119058     -0.099119     -3.646047
  C      -1.923700      0.090636     -2.295311
  C      -2.700303      1.055468     -1.604193
  C      -4.792514      0.071749      5.789689
  C      -5.988463      0.089581      6.732372
  O      -6.162192      1.426009      7.257553
  C      -7.412042      1.928108      7.249475
  O      -8.400006      1.348030      6.835218
  C      -7.440492      3.309603      7.854928
  N      -6.615216      3.516687      8.872565
  C      -6.637661      4.751458      9.438074
  N      -7.342292      5.795623      9.049549
  C      -8.188765      5.600508      7.995191
  C      -8.957750      6.693372      7.525943
  C      -9.827992      6.519256      6.471530
  C      -9.966933      5.252691      5.853806
  C      -9.230986      4.169849      6.286061
  C      -8.315819      4.319675      7.359622
  H      -3.139608      4.794494      8.256850
  H      -4.237998      3.525411      7.715569
  H      -3.732750      6.022357      6.017935
  H      -4.951944      5.944435      7.341451
  H      -8.021757      1.306354      4.194916
  H      -8.630757      2.933213     -0.044407
  H      -7.870409      4.975301     -1.274543
  H      -6.384120      6.625639     -0.148649
  H      -5.585614      6.235970      2.156744
  H      -1.899174      0.074419      3.446125
  H      -0.429601     -0.620129      4.125844
  H       0.299421     -0.208862      1.967982
  H       0.716927      1.395569      2.663888
  H      -4.850253      3.695351      0.097115
  H      -4.600847      2.198313     -4.235815
  H      -3.218559      0.484754     -5.423434
  H      -1.525950     -0.842265     -4.180402
  H      -1.188472     -0.501479     -1.752250
  H      -5.024844      0.678396      4.903896
  H      -4.655213     -0.975338      5.456325
  H      -6.894818     -0.221707      6.196204
  H      -5.852255     -0.574658      7.598093
  H      -5.977228      4.888722     10.299922
  H      -8.841060      7.655553      8.025844
  H     -10.422706      7.360655      6.112158
  H     -10.668826      5.132567      5.027191
  H      -9.351628      3.194845      5.820086
  N      -3.383311      2.455957      3.981995
  N      -2.851701      3.282265      2.922274
  H      -3.271082      4.236254      2.999088
  H      -1.823544      3.372313      2.973940
  H      -3.086083      2.852352      1.965667
100
Coordinates from ORCA-job orca E -6707.596634892097
  N      -2.435348      3.733544      6.601714
  Mo     -2.533242      2.035517      5.564578
  N      -3.548413      0.589997      6.369064
  C      -3.007468     -0.205564      7.476022
  C      -2.123058      0.662644      8.354869
  N      -1.202866      1.470454      7.522963
  C      -0.802894      2.754454      8.158417
  C      -1.115178      3.913002      7.198408
  C      -0.057663      0.705709      6.990506
  C       0.341532      1.310329      5.645208
  N      -0.842221      1.365104      4.775970
  H      -0.355510      3.962382      6.402650
  H      -1.054709      4.875578      7.736543
  H       0.262299      2.737089      8.441291
  H      -1.386014      2.880607      9.080869
  H       1.136799      0.703908      5.182314
  H       0.761821      2.317097      5.792336
  H      -0.381994     -0.332525      6.828039
  H       0.784223      0.694387      7.705489
  H      -3.818478     -0.609374      8.103163
  H      -2.456257     -1.077874      7.075939
  H      -2.766948      1.367779      8.896973
  H      -1.578127      0.051281      9.096600
  C      -3.553376      4.298867      7.364864
  C      -4.367787      5.362095      6.643466
  O      -5.362929      4.729397      5.780592
  C      -5.193901      4.805335      4.464065
  O      -4.301560      5.442517      3.906209
  C      -6.239263      4.018137      3.711779
  N      -6.742761      2.960207      4.329212
  C      -7.597342      2.179155      3.623991
  N      -7.978509      2.343502      2.371216
  C      -7.511043      3.455281      1.734894
  C      -7.928207      3.702981      0.403142
  C      -7.506310      4.839032     -0.251862
  C      -6.658138      5.769092      0.397056
  C      -6.216191      5.548210      1.685378
  C      -6.619161      4.378100      2.383183
  C      -0.847910      0.331347      3.735578
  C      -0.090477      0.707863      2.458494
  O      -0.963183      1.401724      1.511001
  C      -1.668518      0.586963      0.692172
  O      -1.587956     -0.624918      0.679989
  C      -2.601426      1.357889     -0.208077
  N      -3.333659      2.305081      0.367726
  C      -4.246279      2.954377     -0.407277
  N      -4.470647      2.753534     -1.686311
  C      -3.714510      1.799513     -2.304292
  C      -3.909757      1.556623     -3.684572
  C      -3.155278      0.596526     -4.324045
  C      -2.181393     -0.151400     -3.617166
  C      -1.966063      0.059738     -2.272651
  C      -2.729940      1.037474     -1.585146
  C      -4.777757      0.068264      5.770968
  C      -5.978701      0.077119      6.707569
  O      -6.160052      1.410308      7.238713
  C      -7.411110      1.909377      7.223395
  O      -8.394275      1.328773      6.798761
  C      -7.447806      3.287105      7.837377
  N      -6.629162      3.490677      8.861056
  C      -6.657294      4.722507      9.432653
  N      -7.360622      5.767576      9.044188
  C      -8.199964      5.576230      7.983520
  C      -8.966185      6.670774      7.513686
  C      -9.830365      6.500419      6.453660
  C      -9.965574      5.235948      5.830771
  C      -9.231528      4.151737      6.263022
  C      -8.322264      4.297908      7.341977
  H      -3.153910      4.776837      8.276801
  H      -4.249601      3.515412      7.712353
  H      -3.737566      6.033244      6.047771
  H      -4.962053      5.937485      7.365496
  H      -8.001526      1.317553      4.163537
  H      -8.594434      2.978414     -0.066011
  H      -7.830480      5.030965     -1.275585
  H      -6.349185      6.672303     -0.131080
  H      -5.559812      6.264683      2.174614
  H      -1.880460      0.076609      3.459202
  H      -0.398856     -0.597170      4.132681
  H       0.308334     -0.186884      1.964432
  H       0.717276      1.421384      2.660382
  H      -4.842689      3.716957      0.100106
  H      -4.662427      2.145718     -4.209081
  H      -3.305150      0.406400     -5.387880
  H      -1.597612     -0.904740     -4.147488
  H      -1.225423     -0.526243     -1.730374
  H      -5.008341      0.677319      4.886348
  H      -4.633866     -0.976902      5.434412
  H      -6.881382     -0.234480      6.165440
  H      -5.844916     -0.590845      7.570828
  H      -6.004867      4.855570     10.301201
  H      -8.852658      7.630925      8.018202
  H     -10.423278      7.342826      6.093689
  H     -10.663132      5.118486      5.000119
  H      -9.349627      3.178707      5.792351
  N      -3.365534      2.464377      3.976910
  N      -2.837788      3.302694      2.925365
  H      -3.253348      4.257407      3.015899
  H      -1.809105      3.388353      2.974389
  H      -3.076507      2.881356      1.965938
100
Coordinates from ORCA-job orca E -6707.596701407196
  N      -2.438886      3.735769      6.610639
  Mo     -2.527689      2.043061      5.564853
  N      -3.537416      0.589507      6.361401
  C      -2.994819     -0.207897      7.466766
  C      -2.113836      0.660613      8.348657
  N      -1.195880      1.474653      7.520363
  C      -0.801091      2.757415      8.161795
  C      -1.120500      3.920748      7.209716
  C      -0.047858      0.716336      6.985810
  C       0.350520      1.331373      5.645297
  N      -0.832259      1.382738      4.774543
  H      -0.360431      3.982360      6.415013
  H      -1.067464      4.879449      7.755412
  H       0.264649      2.743482      8.442717
  H      -1.383381      2.875244      9.085813
  H       1.151775      0.734408      5.180535
  H       0.761569      2.340873      5.799152
  H      -0.369579     -0.321316      6.814387
  H       0.792612      0.701972      7.702404
  H      -3.805433     -0.614771      8.092425
  H      -2.441468     -1.077707      7.064469
  H      -2.760259      1.361569      8.893105
  H      -1.567432      0.048423      9.088747
  C      -3.561238      4.291929      7.374025
  C      -4.372649      5.362449      6.660020
  O      -5.363572      4.735373      5.786995
  C      -5.184386      4.816935      4.472076
  O      -4.286873      5.455105      3.923670
  C      -6.224176      4.033393      3.708605
  N      -6.726719      2.968954      4.315440
  C      -7.576532      2.191129      3.600694
  N      -7.954953      2.366217      2.348563
  C      -7.488720      3.484908      1.723386
  C      -7.904070      3.744188      0.393289
  C      -7.482623      4.886927     -0.250362
  C      -6.636492      5.812009      0.408278
  C      -6.196574      5.579879      1.695379
  C      -6.599800      4.403326      2.381589
  C      -0.837351      0.341029      3.741698
  C      -0.090598      0.714132      2.458051
  O      -0.971250      1.404737      1.516956
  C      -1.686224      0.586794      0.710666
  O      -1.609945     -0.626189      0.707564
  C      -2.618405      1.356388     -0.191179
  N      -3.335016      2.319871      0.376409
  C      -4.243984      2.971460     -0.400502
  N      -4.480413      2.756642     -1.675285
  C      -3.740696      1.785027     -2.285791
  C      -3.949164      1.525731     -3.661010
  C      -3.210105      0.549462     -4.293993
  C      -2.238529     -0.199025     -3.584864
  C      -2.011320      0.026894     -2.244548
  C      -2.759786      1.021220     -1.563601
  C      -4.762669      0.063476      5.759143
  C      -5.966916      0.063672      6.691683
  O      -6.156522      1.393995      7.227148
  C      -7.408292      1.891241      7.200279
  O      -8.385758      1.310129      6.763582
  C      -7.453437      3.266394      7.820019
  N      -6.642131      3.468658      8.849716
  C      -6.676666      4.698439      9.425134
  N      -7.378307      5.743716      9.034074
  C      -8.210076      5.553895      7.967297
  C      -8.973996      6.649023      7.495012
  C      -9.831620      6.480416      6.429414
  C      -9.962075      5.217002      5.803292
  C      -9.229612      4.132420      6.237457
  C      -8.326925      4.276853      7.322091
  H      -3.168141      4.758113      8.294820
  H      -4.259191      3.503651      7.706391
  H      -3.742051      6.039524      6.071564
  H      -4.970659      5.930651      7.384542
  H      -7.979800      1.323611      4.131245
  H      -8.568291      3.023249     -0.084192
  H      -7.805289      5.088057     -1.272798
  H      -6.327818      6.720097     -0.111580
  H      -5.542328      6.293322      2.191975
  H      -1.869717      0.075847      3.474746
  H      -0.378475     -0.581021      4.142958
  H       0.307612     -0.179525      1.961780
  H       0.715631      1.430742      2.655990
  H      -4.825401      3.749694      0.100446
  H      -4.699119      2.116410     -4.187696
  H      -3.370833      0.347292     -5.353991
  H      -1.665118     -0.964329     -4.109324
  H      -1.272979     -0.559945     -1.700074
  H      -4.993332      0.673451      4.875110
  H      -4.612353     -0.980166      5.420578
  H      -6.866495     -0.250230      6.145787
  H      -5.833171     -0.606761      7.553085
  H      -6.030329      4.830068     10.298411
  H      -8.863744      7.607810      8.002845
  H     -10.423000      7.322876      6.067076
  H     -10.654773      5.100586      4.968439
  H      -9.344001      3.160635      5.763393
  N      -3.353231      2.470063      3.973106
  N      -2.828084      3.319506      2.930603
  H      -3.238732      4.274983      3.035414
  H      -1.798323      3.396117      2.975568
  H      -3.072510      2.910308      1.967018
100
Coordinates from ORCA-job orca E -6707.596771566044
  N      -2.440473      3.740609      6.620833
  Mo     -2.518487      2.053736      5.565412
  N      -3.524134      0.590430      6.348706
  C      -2.981244     -0.211020      7.451502
  C      -2.107771      0.657043      8.341369
  N      -1.190637      1.480732      7.521534
  C      -0.805015      2.760982      8.173251
  C      -1.127244      3.930526      7.229573
  C      -0.037046      0.731485      6.986421
  C       0.361630      1.357127      5.650927
  N      -0.818765      1.402648      4.776486
  H      -0.362596      4.006328      6.440397
  H      -1.085155      4.884211      7.784849
  H       0.259826      2.750827      8.457790
  H      -1.391256      2.868543      9.095967
  H       1.170549      0.771047      5.185582
  H       0.761480      2.369957      5.811481
  H      -0.353295     -0.306442      6.806401
  H       0.800781      0.715989      7.706073
  H      -3.792114     -0.624243      8.072759
  H      -2.423257     -1.076367      7.046324
  H      -2.759517      1.351686      8.887470
  H      -1.561626      0.042985      9.080211
  C      -3.571427      4.283304      7.381836
  C      -4.379393      5.360035      6.673246
  O      -5.363814      4.736431      5.789166
  C      -5.175361      4.826397      4.476120
  O      -4.274937      5.469194      3.937784
  C      -6.207778      4.044755      3.700655
  N      -6.707115      2.972594      4.296481
  C      -7.550869      2.196993      3.571824
  N      -7.926601      2.382344      2.320424
  C      -7.462918      3.508405      1.706598
  C      -7.875033      3.777702      0.377551
  C      -7.454644      4.926978     -0.255180
  C      -6.612999      5.848794      0.413713
  C      -6.176887      5.607233      1.700492
  C      -6.579382      4.424174      2.375330
  C      -0.822247      0.351752      3.752205
  C      -0.087021      0.719551      2.461256
  O      -0.976579      1.405930      1.526200
  C      -1.697256      0.586072      0.728445
  O      -1.621499     -0.627527      0.728327
  C      -2.632848      1.355218     -0.170875
  N      -3.326750      2.338231      0.390991
  C      -4.234799      2.994319     -0.382476
  N      -4.491507      2.766357     -1.651188
  C      -3.775406      1.774456     -2.257411
  C      -4.005206      1.500580     -3.626291
  C      -3.289717      0.505109     -4.256659
  C      -2.321046     -0.249384     -3.550283
  C      -2.074407     -0.010914     -2.215463
  C      -2.798043      1.004196     -1.537574
  C      -4.744296      0.061621      5.739167
  C      -5.952984      0.051718      6.665919
  O      -6.151356      1.378056      7.207866
  C      -7.403628      1.873966      7.169044
  O      -8.374766      1.293770      6.717466
  C      -7.457540      3.245042      7.797485
  N      -6.654923      3.443292      8.834635
  C      -6.696108      4.669656      9.416549
  N      -7.396713      5.715787      9.025762
  C      -8.219934      5.530193      7.951731
  C      -8.982101      6.626794      7.479895
  C      -9.831513      6.462870      6.407084
  C      -9.954983      5.202656      5.773077
  C      -9.223793      4.116856      6.206401
  C      -8.329472      4.256460      7.298578
  H      -3.189191      4.736695      8.313505
  H      -4.270481      3.488444      7.695352
  H      -3.747407      6.041990      6.092038
  H      -4.982461      5.922401      7.397990
  H      -7.951415      1.322469      4.092750
  H      -8.535354      3.058970     -0.108553
  H      -7.774427      5.135849     -1.276959
  H      -6.304722      6.761453     -0.098285
  H      -5.525964      6.318634      2.204385
  H      -1.854593      0.076503      3.495475
  H      -0.354118     -0.562979      4.159614
  H       0.309318     -0.174304      1.963974
  H       0.719265      1.438004      2.653031
  H      -4.796928      3.788732      0.115067
  H      -4.752258      2.096619     -4.151157
  H      -3.467715      0.292805     -5.311887
  H      -1.764799     -1.029461     -4.071472
  H      -1.338858     -0.602713     -1.672809
  H      -4.973537      0.673911      4.856281
  H      -4.587520     -0.979983      5.397089
  H      -6.848609     -0.263489      6.114319
  H      -5.820347     -0.623031      7.524158
  H      -6.057062      4.797610     10.295708
  H      -8.876454      7.582486      7.994512
  H     -10.421745      7.306054      6.044583
  H     -10.641362      5.089613      4.932561
  H      -9.332681      3.147788      5.725602
  N      -3.333127      2.481601      3.967927
  N      -2.803598      3.344515      2.939222
  H      -3.213622      4.298861      3.055267
  H      -1.773370      3.415996      2.985595
  H      -3.047664      2.940333      1.972709
100
Coordinates from ORCA-job orca E -6707.596835684552
  N      -2.442099      3.743349      6.628285
  Mo     -2.512504      2.061167      5.566441
  N      -3.512878      0.591134      6.343251
  C      -2.965915     -0.212891      7.442312
  C      -2.096969      0.655555      8.336356
  N      -1.182484      1.487016      7.521120
  C      -0.803626      2.765805      8.179385
  C      -1.132515      3.939692      7.242868
  C      -0.025474      0.745279      6.983118
  C       0.368346      1.376779      5.648998
  N      -0.812923      1.414767      4.775328
  H      -0.365356      4.028568      6.457408
  H      -1.100655      4.889436      7.805494
  H       0.261489      2.760090      8.463053
  H      -1.389584      2.864846      9.103203
  H       1.182046      0.799167      5.181324
  H       0.759068      2.392765      5.811449
  H      -0.336288     -0.293945      6.800963
  H       0.812875      0.731760      7.702234
  H      -3.774579     -0.632378      8.062432
  H      -2.404427     -1.074257      7.033701
  H      -2.752134      1.345213      8.884615
  H      -1.549392      0.040412      9.073287
  C      -3.580282      4.274035      7.387915
  C      -4.384647      5.356651      6.684144
  O      -5.363436      4.737061      5.790625
  C      -5.167535      4.833524      4.479269
  O      -4.264475      5.479218      3.948784
  C      -6.195661      4.054542      3.694897
  N      -6.692870      2.976765      4.282450
  C      -7.534066      2.204595      3.550861
  N      -7.909967      2.399308      2.300989
  C      -7.446942      3.530240      1.695636
  C      -7.857773      3.808211      0.368031
  C      -7.436595      4.961448     -0.257015
  C      -6.595720      5.878954      0.418810
  C      -6.161774      5.629499      1.704884
  C      -6.565208      4.442268      2.371606
  C      -0.817173      0.355916      3.758576
  C      -0.090060      0.715589      2.461753
  O      -0.982663      1.401868      1.529387
  C      -1.715368      0.582445      0.744097
  O      -1.652572     -0.632287      0.752645
  C      -2.647194      1.354514     -0.156828
  N      -3.324060      2.353615      0.397381
  C      -4.226497      3.014441     -0.378225
  N      -4.491237      2.778723     -1.643822
  C      -3.792376      1.770077     -2.242917
  C      -4.029610      1.488314     -3.608778
  C      -3.331713      0.476371     -4.232561
  C      -2.374482     -0.288077     -3.521809
  C      -2.121564     -0.043397     -2.189059
  C      -2.825966      0.990395     -1.519049
  C      -4.730163      0.059255      5.730888
  C      -5.940194      0.042919      6.655700
  O      -6.146351      1.367396      7.198921
  C      -7.399242      1.861680      7.149680
  O      -8.364827      1.281447      6.686484
  C      -7.460967      3.230271      7.782795
  N      -6.665171      3.427120      8.825416
  C      -6.712366      4.651388      9.410956
  N      -7.414441      5.696732      9.020559
  C      -8.231146      5.512656      7.941380
  C      -8.994162      6.608882      7.469866
  C      -9.836438      6.447032      6.391241
  C      -9.951699      5.189228      5.750928
  C      -9.219765      4.103827      6.183874
  C      -8.332675      4.241199      7.282301
  H      -3.207075      4.715556      8.328833
  H      -4.280299      3.473792      7.684835
  H      -3.749749      6.041838      6.109902
  H      -4.991720      5.915012      7.408541
  H      -7.932834      1.324872      4.064339
  H      -8.517156      3.092393     -0.123607
  H      -7.754997      5.176760     -1.277875
  H      -6.286199      6.794380     -0.087459
  H      -5.511437      6.337993      2.213608
  H      -1.850501      0.076477      3.510327
  H      -0.345004     -0.553951      4.172075
  H       0.299191     -0.182138      1.965707
  H       0.721794      1.430083      2.644833
  H      -4.775909      3.821074      0.113897
  H      -4.768077      2.092029     -4.137064
  H      -3.515520      0.259047     -5.285762
  H      -1.831847     -1.081552     -4.037136
  H      -1.394851     -0.643112     -1.643403
  H      -4.960156      0.671603      4.848172
  H      -4.569146     -0.981322      5.387483
  H      -6.833246     -0.276598      6.102404
  H      -5.805066     -0.632047      7.513390
  H      -6.078864      4.778020     10.294315
  H      -8.894014      7.562360      7.989667
  H     -10.427348      7.289705      6.028668
  H     -10.632374      5.077662      4.905582
  H      -9.322362      3.136497      5.698263
  N      -3.325598      2.486910      3.965206
  N      -2.791994      3.356415      2.944693
  H      -3.194465      4.312254      3.072595
  H      -1.760517      3.413668      2.986531
  H      -3.043356      2.968345      1.972963
100
Coordinates from ORCA-job orca E -6707.596895475419
  N      -2.438875      3.746567      6.639416
  Mo     -2.500457      2.070732      5.568012
  N      -3.497590      0.592409      6.332319
  C      -2.949606     -0.216699      7.426857
  C      -2.088173      0.649634      8.330539
  N      -1.174167      1.491344      7.525085
  C      -0.804653      2.767069      8.194064
  C      -1.135201      3.946428      7.264856
  C      -0.011437      0.758868      6.985924
  C       0.379826      1.397162      5.653899
  N      -0.800109      1.428935      4.778357
  H      -0.362866      4.047827      6.486005
  H      -1.114069      4.891620      7.835645
  H       0.259227      2.765041      8.482374
  H      -1.394967      2.856211      9.116095
  H       1.198709      0.827950      5.184784
  H       0.761944      2.415720      5.819977
  H      -0.314746     -0.282205      6.801562
  H       0.825976      0.748635      7.706154
  H      -3.757430     -0.645662      8.041723
  H      -2.382077     -1.072102      7.013998
  H      -2.749015      1.332443      8.880570
  H      -1.541045      0.031731      9.065428
  C      -3.586548      4.263577      7.395139
  C      -4.388004      5.350148      6.693762
  O      -5.360376      4.734983      5.790518
  C      -5.158136      4.841592      4.481033
  O      -4.254430      5.493743      3.959735
  C      -6.180551      4.065182      3.686146
  N      -6.673680      2.979162      4.261907
  C      -7.510139      2.211064      3.520601
  N      -7.885327      2.417034      2.272374
  C      -7.424939      3.555256      1.678936
  C      -7.832609      3.843768      0.352679
  C      -7.412148      5.003032     -0.261516
  C      -6.575733      5.916829      0.424818
  C      -6.145767      5.657964      1.710374
  C      -6.548133      4.463958      2.365800
  C      -0.804255      0.363826      3.767405
  C      -0.085969      0.717629      2.464819
  O      -0.982926      1.402706      1.534679
  C      -1.725990      0.583527      0.759488
  O      -1.672224     -0.631433      0.772529
  C      -2.659989      1.357093     -0.139279
  N      -3.311927      2.376919      0.407760
  C      -4.213348      3.041060     -0.366215
  N      -4.497681      2.791977     -1.624958
  C      -3.823750      1.762611     -2.217456
  C      -4.080649      1.467628     -3.577149
  C      -3.407640      0.435247     -4.195185
  C      -2.457074     -0.337624     -3.484445
  C      -2.186407     -0.080686     -2.157624
  C      -2.863625      0.975202     -1.494028
  C      -4.711492      0.060559      5.713208
  C      -5.924339      0.036759      6.634062
  O      -6.139226      1.358675      7.179660
  C      -7.394047      1.847953      7.124356
  O      -8.353969      1.265808      6.651892
  C      -7.465487      3.213966      7.761594
  N      -6.677278      3.410404      8.810057
  C      -6.734022      4.632069      9.400079
  N      -7.439008      5.675529      9.009834
  C      -8.248295      5.491809      7.924996
  C      -9.014717      6.585895      7.453905
  C      -9.848649      6.424527      6.368833
  C      -9.952287      5.169298      5.721509
  C      -9.217530      4.085857      6.154322
  C      -8.338744      4.222775      7.259581
  H      -3.224564      4.695184      8.344896
  H      -4.286219      3.457269      7.675856
  H      -3.749167      6.038394      6.127515
  H      -5.000210      5.904637      7.416759
  H      -7.905306      1.323897      4.024002
  H      -8.488180      3.130071     -0.147080
  H      -7.727572      5.225888     -1.281659
  H      -6.266486      6.837135     -0.072703
  H      -5.498594      6.363716      2.226862
  H      -1.837874      0.079580      3.525719
  H      -0.327198     -0.541378      4.185110
  H       0.295866     -0.184451      1.970513
  H       0.731198      1.428694      2.636672
  H      -4.743011      3.863920      0.120902
  H      -4.813827      2.077855     -4.105299
  H      -3.606131      0.208617     -5.243765
  H      -1.934677     -1.147894     -3.994563
  H      -1.464847     -0.686685     -1.612420
  H      -4.940162      0.675728      4.832074
  H      -4.546875     -0.978171      5.365875
  H      -6.813716     -0.286147      6.076774
  H      -5.788092     -0.639334      7.490642
  H      -6.104364      4.759220     10.286132
  H      -8.923205      7.537368      7.978943
  H     -10.441970      7.265604      6.006482
  H     -10.626150      5.058189      4.870651
  H      -9.311450      3.120029      5.663969
  N      -3.307236      2.500350      3.963110
  N      -2.763938      3.378070      2.953402
  H      -3.164660      4.333211      3.088291
  H      -1.732146      3.430848      2.998108
  H      -3.015138      2.995286      1.978864
100
Coordinates from ORCA-job orca E -6707.596942646930
  N      -2.438063      3.746400      6.648749
  Mo     -2.491574      2.076335      5.569096
  N      -3.485545      0.592119      6.325403
  C      -2.936088     -0.220738      7.415823
  C      -2.079633      0.643464      8.326473
  N      -1.166575      1.492933      7.528020
  C      -0.804163      2.766847      8.204265
  C      -1.138001      3.949456      7.280190
  C       0.000553      0.767739      6.987757
  C       0.388595      1.410356      5.656539
  N      -0.790714      1.438067      4.780503
  H      -0.363247      4.059255      6.504885
  H      -1.124127      4.891859      7.855873
  H       0.259144      2.768322      8.494546
  H      -1.396384      2.848477      9.125778
  H       1.210383      0.846536      5.185829
  H       0.765388      2.430487      5.824980
  H      -0.296228     -0.275279      6.803776
  H       0.838048      0.761960      7.707907
  H      -3.742583     -0.658006      8.026624
  H      -2.363392     -1.070948      6.999053
  H      -2.744557      1.320721      8.878519
  H      -1.531947      0.023447      9.059056
  C      -3.592080      4.254425      7.401221
  C      -4.390910      5.344798      6.702341
  O      -5.358806      4.735439      5.791399
  C      -5.150736      4.847594      4.483411
  O      -4.245342      5.502454      3.968815
  C      -6.170094      4.074141      3.681427
  N      -6.662676      2.983481      4.248942
  C      -7.496450      2.219475      3.500541
  N      -7.869994      2.433355      2.253134
  C      -7.409538      3.575871      1.668086
  C      -7.813998      3.872396      0.342628
  C      -7.392218      5.035233     -0.263694
  C      -6.557920      5.945139      0.430352
  C      -6.131575      5.679114      1.715551
  C      -6.535159      4.480926      2.363028
  C      -0.794687      0.370390      3.772022
  C      -0.082581      0.722168      2.465792
  O      -0.981878      1.407665      1.537053
  C      -1.735565      0.588785      0.771129
  O      -1.691204     -0.625959      0.791094
  C      -2.670031      1.362149     -0.127756
  N      -3.306135      2.395861      0.412762
  C      -4.207855      3.059316     -0.361801
  N      -4.505037      2.798677     -1.615065
  C      -3.846848      1.755616     -2.200893
  C      -4.117231      1.449376     -3.555671
  C      -3.460289      0.402862     -4.167018
  C      -2.513884     -0.373600     -3.454393
  C      -2.230979     -0.105883     -2.132377
  C      -2.890201      0.965419     -1.475745
  C      -4.697609      0.060903      5.701839
  C      -5.911880      0.032998      6.620614
  O      -6.133412      1.354252      7.165025
  C      -7.390072      1.838556      7.106656
  O      -8.346168      1.253924      6.629472
  C      -7.469292      3.203033      7.745826
  N      -6.686643      3.399795      8.798508
  C      -6.750622      4.619993      9.390923
  N      -7.458505      5.661450      9.000622
  C      -8.262151      5.477274      7.911618
  C      -9.031082      6.569245      7.439695
  C      -9.858504      6.407244      6.349762
  C      -9.953489      5.153468      5.698325
  C      -9.216664      4.071963      6.132223
  C      -8.344027      4.209728      7.242314
  H      -3.237469      4.678794      8.356946
  H      -4.291873      3.444443      7.670643
  H      -3.747928      6.035907      6.144219
  H      -5.006972      5.895425      7.425033
  H      -7.890874      1.328032      3.997044
  H      -8.467692      3.160991     -0.162840
  H      -7.704811      5.263647     -1.283471
  H      -6.247428      6.868630     -0.060480
  H      -5.485889      6.381727      2.238151
  H      -1.827948      0.082358      3.533301
  H      -0.313342     -0.532198      4.190148
  H       0.292363     -0.183693      1.972647
  H       0.739170      1.430029      2.627759
  H      -4.726395      3.891890      0.120739
  H      -4.847422      2.062251     -4.084808
  H      -3.668011      0.167537     -5.211916
  H      -2.005663     -1.195978     -3.959435
  H      -1.512374     -0.714611     -1.586549
  H      -4.925528      0.678480      4.822190
  H      -4.531255     -0.976490      5.351437
  H      -6.798692     -0.293980      6.061578
  H      -5.773676     -0.641493      7.478087
  H      -6.125677      4.747378     10.280299
  H      -8.946826      7.519872      7.967456
  H     -10.453554      7.246977      5.987105
  H     -10.622133      5.042006      4.843396
  H      -9.304394      3.106642      5.639691
  N      -3.296496      2.508823      3.962668
  N      -2.746690      3.390867      2.958879
  H      -3.141605      4.347148      3.100961
  H      -1.714638      3.436737      3.004057
  H      -3.001319      3.020743      1.980497
100
Coordinates from ORCA-job orca E -6707.596984215660
  N      -2.434647      3.745359      6.657088
  Mo     -2.481536      2.079787      5.570613
  N      -3.474414      0.591122      6.319260
  C      -2.924813     -0.225762      7.406043
  C      -2.073138      0.635705      8.323850
  N      -1.160063      1.491534      7.532248
  C      -0.803784      2.763773      8.215000
  C      -1.137412      3.948675      7.293866
  C       0.011120      0.771652      6.992692
  C       0.398038      1.416317      5.661990
  N      -0.780040      1.442967      4.784884
  H      -0.360410      4.062030      6.521306
  H      -1.127238      4.889517      7.872231
  H       0.258408      2.767201      8.509178
  H      -1.399650      2.839956      9.134633
  H       1.221273      0.854705      5.191046
  H       0.772796      2.436935      5.832195
  H      -0.280396     -0.272992      6.809657
  H       0.848074      0.770490      7.713399
  H      -3.730751     -0.670869      8.011838
  H      -2.346889     -1.070800      6.985585
  H      -2.741827      1.307995      8.877516
  H      -1.525378      0.013584      9.054485
  C      -3.593228      4.248837      7.405328
  C      -4.390879      5.340242      6.706209
  O      -5.356352      4.734602      5.791208
  C      -5.146008      4.852566      4.483920
  O      -4.240935      5.511218      3.974030
  C      -6.162940      4.081335      3.676911
  N      -6.653311      2.985706      4.236665
  C      -7.483941      2.224489      3.482198
  N      -7.856376      2.445063      2.235591
  C      -7.398478      3.592650      1.658509
  C      -7.801382      3.896419      0.334222
  C      -7.381632      5.064054     -0.264014
  C      -6.551328      5.971950      0.437333
  C      -6.126581      5.699254      1.721547
  C      -6.527682      4.495610      2.360831
  C      -0.784214      0.375097      3.776919
  C      -0.077841      0.727841      2.467929
  O      -0.979581      1.414625      1.542042
  C      -1.740785      0.596123      0.781710
  O      -1.700826     -0.618119      0.805798
  C      -2.675936      1.368879     -0.116501
  N      -3.295780      2.415550      0.418662
  C      -4.198377      3.079284     -0.355055
  N      -4.510649      2.807467     -1.602188
  C      -3.868804      1.751669     -2.182751
  C      -4.155279      1.434212     -3.531822
  C      -3.513839      0.375326     -4.138064
  C      -2.567760     -0.402581     -3.426082
  C      -2.270197     -0.123982     -2.109721
  C      -2.912947      0.960043     -1.457752
  C      -4.685240      0.061792      5.691470
  C      -5.900871      0.029959      6.608305
  O      -6.128137      1.350662      7.151783
  C      -7.386662      1.829495      7.092167
  O      -8.339926      1.241284      6.613649
  C      -7.472756      3.193715      7.730821
  N      -6.694451      3.392742      8.786416
  C      -6.764585      4.612908      9.378475
  N      -7.473641      5.652370      8.985135
  C      -8.272554      5.465730      7.892997
  C      -9.042396      6.555289      7.417112
  C      -9.864835      6.390272      6.323802
  C      -9.954321      5.135821      5.672889
  C      -9.216674      4.056552      6.110849
  C      -8.348613      4.197699      7.224107
  H      -3.243705      4.671227      8.363793
  H      -4.292707      3.436880      7.669462
  H      -3.745345      6.032769      6.152798
  H      -5.009183      5.888811      7.428626
  H      -7.876678      1.328902      3.972627
  H      -8.451946      3.186016     -0.176667
  H      -7.692829      5.297726     -1.283029
  H      -6.242821      6.899812     -0.046498
  H      -5.483958      6.400234      2.250099
  H      -1.816625      0.082713      3.539951
  H      -0.297828     -0.525752      4.192775
  H       0.291960     -0.179875      1.973942
  H       0.746195      1.434399      2.623072
  H      -4.703144      3.922614      0.123455
  H      -4.884688      2.048688     -4.060092
  H      -3.732757      0.130969     -5.178616
  H      -2.072586     -1.234961     -3.927646
  H      -1.551731     -0.733637     -1.564877
  H      -4.912335      0.683080      4.814211
  H      -4.517800     -0.973971      5.336960
  H      -6.785530     -0.300221      6.047738
  H      -5.761315     -0.643211      7.466558
  H      -6.143501      4.742108     10.270301
  H      -8.963531      7.506883      7.943946
  H     -10.460346      7.228540      5.958493
  H     -10.619143      5.022172      4.815270
  H      -9.300426      3.090281      5.619470
  N      -3.284550      2.518304      3.964180
  N      -2.729747      3.404837      2.966165
  H      -3.124762      4.360508      3.110721
  H      -1.698182      3.452380      3.017244
  H      -2.982019      3.039388      1.986190
100
Coordinates from ORCA-job orca E -6707.597026512977
  N      -2.434796      3.743415      6.666711
  Mo     -2.471666      2.084175      5.570304
  N      -3.462845      0.589792      6.309709
  C      -2.913060     -0.232249      7.392169
  C      -2.066858      0.626002      8.318043
  N      -1.154277      1.489567      7.534341
  C      -0.805713      2.759839      8.224742
  C      -1.139929      3.947425      7.307679
  C       0.021999      0.776782      6.995790
  C       0.409113      1.426552      5.667473
  N      -0.766875      1.452931      4.788145
  H      -0.361366      4.065091      6.537227
  H      -1.133280      4.886231      7.889393
  H       0.255260      2.765896      8.523156
  H      -1.405761      2.829028      9.142188
  H       1.234888      0.868630      5.196566
  H       0.780681      2.447653      5.842160
  H      -0.263509     -0.269105      6.810544
  H       0.857512      0.779497      7.718097
  H      -3.718572     -0.685880      7.992060
  H      -2.329513     -1.071272      6.967175
  H      -2.739555      1.292176      8.874290
  H      -1.518620      0.001276      9.046061
  C      -3.596603      4.242114      7.412229
  C      -4.394031      5.335427      6.715714
  O      -5.355238      4.733581      5.794496
  C      -5.139711      4.857920      4.488415
  O      -4.233418      5.520097      3.985600
  C      -6.152180      4.089353      3.673799
  N      -6.641304      2.988470      4.224232
  C      -7.466282      2.229546      3.461446
  N      -7.834186      2.457060      2.214674
  C      -7.378430      3.610399      1.647272
  C      -7.777399      3.922185      0.323630
  C      -7.359999      5.095842     -0.264256
  C      -6.535942      6.001796      0.446815
  C      -6.114644      5.721230      1.730383
  C      -6.513529      4.511378      2.359320
  C      -0.768920      0.386592      3.778825
  C      -0.070026      0.743974      2.466668
  O      -0.977139      1.429444      1.545218
  C      -1.750147      0.608605      0.797900
  O      -1.717306     -0.605701      0.835075
  C      -2.685629      1.378115     -0.102074
  N      -3.289288      2.438301      0.425184
  C      -4.193893      3.099967     -0.348072
  N      -4.523122      2.813113     -1.587416
  C      -3.898367      1.743123     -2.160004
  C      -4.204603      1.408818     -3.500713
  C      -3.580094      0.335607     -4.098968
  C      -2.631996     -0.440244     -3.387131
  C      -2.316175     -0.145573     -2.078658
  C      -2.941244      0.953276     -1.434207
  C      -4.671703      0.062224      5.676535
  C      -5.889595      0.024676      6.590111
  O      -6.123728      1.344264      7.133972
  C      -7.383580      1.818408      7.069986
  O      -8.332965      1.227607      6.586905
  C      -7.477963      3.180755      7.711708
  N      -6.706602      3.379094      8.772623
  C      -6.783890      4.597689      9.367275
  N      -7.491545      5.636857      8.970800
  C      -8.282983      5.450877      7.873091
  C      -9.050889      6.539957      7.393217
  C      -9.866544      6.374848      6.294727
  C      -9.951393      5.120763      5.642515
  C      -9.215151      4.042022      6.084224
  C      -8.353414      4.183638      7.202260
  H      -3.250814      4.661893      8.373267
  H      -4.295468      3.428034      7.671244
  H      -3.747504      6.032322      6.169006
  H      -5.015543      5.878544      7.439546
  H      -7.858265      1.329606      3.944489
  H      -8.423160      3.212824     -0.194733
  H      -7.668305      5.335688     -1.282728
  H      -6.229429      6.934678     -0.028588
  H      -5.476679      6.420482      2.266860
  H      -1.799521      0.086188      3.544330
  H      -0.273847     -0.511630      4.190168
  H       0.299115     -0.162763      1.970224
  H       0.752283      1.453458      2.617395
  H      -4.684861      3.954676      0.124453
  H      -4.934881      2.022495     -4.028671
  H      -3.813379      0.077557     -5.133081
  H      -2.150406     -1.283751     -3.883257
  H      -1.596231     -0.753656     -1.533974
  H      -4.897668      0.688501      4.802496
  H      -4.502055     -0.971237      5.316564
  H      -6.771529     -0.308409      6.027016
  H      -5.749546     -0.647991      7.448671
  H      -6.169586      4.725825     10.263937
  H      -8.977173      7.491611      7.920676
  H     -10.460355      7.213155      5.926732
  H     -10.611255      5.007060      4.781090
  H      -9.295307      3.075855      5.592046
  N      -3.271523      2.530132      3.964477
  N      -2.712590      3.422616      2.973200
  H      -3.106376      4.378262      3.122312
  H      -1.681475      3.470775      3.030121
  H      -2.962904      3.065463      1.990159
100
Coordinates from ORCA-job orca E -6707.597065288726
  N      -2.433585      3.741431      6.672666
  Mo     -2.461896      2.084968      5.571855
  N      -3.452881      0.586939      6.304485
  C      -2.902464     -0.240240      7.382699
  C      -2.062409      0.615495      8.316211
  N      -1.150203      1.485725      7.539493
  C      -0.809454      2.755229      8.235566
  C      -1.140374      3.943799      7.318523
  C       0.030713      0.777937      7.004261
  C       0.418787      1.427107      5.676263
  N      -0.755625      1.452906      4.795521
  H      -0.359253      4.060052      6.550405
  H      -1.134653      4.882525      7.900313
  H       0.249526      2.763006      8.541025
  H      -1.416184      2.820826      9.148867
  H       1.245423      0.868733      5.207411
  H       0.790180      2.448346      5.850950
  H      -0.249575     -0.269501      6.820202
  H       0.864824      0.786650      7.728037
  H      -3.707501     -0.702501      7.976480
  H      -2.313036     -1.072882      6.953178
  H      -2.739149      1.275868      8.874484
  H      -1.513892     -0.011189      9.042348
  C      -3.597984      4.241127      7.412636
  C      -4.395343      5.332606      6.712925
  O      -5.354509      4.729536      5.790482
  C      -5.139879      4.859787      4.484289
  O      -4.236387      5.527597      3.984041
  C      -6.149529      4.091319      3.666732
  N      -6.634179      2.985787      4.211585
  C      -7.455427      2.226696      3.445021
  N      -7.822455      2.457902      2.198633
  C      -7.372441      3.616479      1.637202
  C      -7.772107      3.932810      0.314837
  C      -7.361474      5.112305     -0.266027
  C      -6.543782      6.019513      0.450652
  C      -6.121378      5.734301      1.732816
  C      -6.513075      4.518437      2.354442
  C      -0.756828      0.387561      3.786316
  C      -0.065614      0.748715      2.471215
  O      -0.976236      1.438892      1.557781
  C      -1.750815      0.621077      0.808299
  O      -1.716188     -0.592903      0.845194
  C      -2.684812      1.390927     -0.090605
  N      -3.270594      2.463548      0.431731
  C      -4.175103      3.128125     -0.338715
  N      -4.522333      2.831046     -1.570837
  C      -3.916749      1.747910     -2.138925
  C      -4.242859      1.402826     -3.472085
  C      -3.635985      0.317891     -4.066764
  C      -2.685711     -0.458887     -3.358739
  C      -2.351363     -0.154568     -2.057077
  C      -2.959531      0.955650     -1.415344
  C      -4.660940      0.061705      5.668013
  C      -5.879672      0.019780      6.580055
  O      -6.118552      1.338845      7.123834
  C      -7.378966      1.810207      7.055353
  O      -8.325577      1.217693      6.568883
  C      -7.478603      3.172379      7.697003
  N      -6.712140      3.371695      8.761287
  C      -6.792572      4.590881      9.354522
  N      -7.496448      5.630298      8.952159
  C      -8.282908      5.443117      7.851089
  C      -9.046567      6.532141      7.364588
  C      -9.858417      6.365041      6.263444
  C      -9.943849      5.108968      5.615189
  C      -9.210934      4.030391      6.063020
  C      -8.352490      4.174363      7.183167
  H      -3.255012      4.664224      8.373308
  H      -4.296875      3.427222      7.672176
  H      -3.749156      6.030034      6.166616
  H      -5.017931      5.875204      7.436292
  H      -7.844770      1.323394      3.923891
  H      -8.413040      3.222304     -0.207892
  H      -7.670519      5.355925     -1.283394
  H      -6.243165      6.957172     -0.019105
  H      -5.488139      6.434494      2.273685
  H      -1.785841      0.078893      3.555855
  H      -0.252757     -0.507627      4.193541
  H       0.299254     -0.156687      1.969351
  H       0.757570      1.457517      2.621064
  H      -4.649418      3.994348      0.129903
  H      -4.973351      2.018723     -3.997163
  H      -3.884049      0.050941     -5.095163
  H      -2.216897     -1.310560     -3.853113
  H      -1.630013     -0.763290     -1.515025
  H      -4.886823      0.692713      4.797285
  H      -4.490204     -0.969714      5.302871
  H      -6.760199     -0.315868      6.016344
  H      -5.738630     -0.652106      7.439089
  H      -6.183948      4.719170     10.255008
  H      -8.973936      7.485627      7.888871
  H     -10.448859      7.203592      5.890601
  H     -10.601377      4.993640      4.752206
  H      -9.291224      3.062784      5.573703
  N      -3.262597      2.539913      3.968031
  N      -2.700101      3.437490      2.984579
  H      -3.100747      4.390502      3.132403
  H      -1.670374      3.493380      3.054852
  H      -2.940654      3.083109      1.999578
100
Coordinates from ORCA-job orca E -6707.597098582569
  N      -2.434466      3.741166      6.681002
  Mo     -2.453586      2.091048      5.570055
  N      -3.444185      0.587767      6.292417
  C      -2.894200     -0.244667      7.367210
  C      -2.059132      0.607961      8.308104
  N      -1.146948      1.485106      7.539006
  C      -0.812847      2.751884      8.242824
  C      -1.143335      3.943834      7.330787
  C       0.038437      0.784081      7.004643
  C       0.429090      1.441434      5.681014
  N      -0.742658      1.466659      4.796591
  H      -0.360387      4.065838      6.565348
  H      -1.141218      4.879641      7.917241
  H       0.244819      2.761290      8.552837
  H      -1.423925      2.810906      9.153631
  H       1.259640      0.888683      5.212484
  H       0.795504      2.463337      5.862112
  H      -0.237612     -0.263214      6.813546
  H       0.869822      0.792161      7.731579
  H      -3.699732     -0.712548      7.955870
  H      -2.301433     -1.072920      6.934000
  H      -2.738926      1.263161      8.868697
  H      -1.511097     -0.021693      9.032105
  C      -3.600591      4.235854      7.420978
  C      -4.398501      5.328885      6.724735
  O      -5.351740      4.726673      5.795098
  C      -5.131490      4.864657      4.490598
  O      -4.227202      5.537336      3.998163
  C      -6.135036      4.098136      3.663965
  N      -6.616909      2.986766      4.199293
  C      -7.431718      2.229172      3.424249
  N      -7.794844      2.467692      2.178088
  C      -7.347998      3.632313      1.626627
  C      -7.744476      3.956531      0.305221
  C      -7.337239      5.142278     -0.265318
  C      -6.525908      6.047753      0.460726
  C      -6.106426      5.754671      1.742160
  C      -6.495177      4.532759      2.353220
  C      -0.739569      0.402565      3.785566
  C      -0.056515      0.769342      2.467141
  O      -0.974677      1.454588      1.557711
  C      -1.761199      0.631479      0.826912
  O      -1.735317     -0.583035      0.881397
  C      -2.695933      1.397651     -0.074814
  N      -3.265134      2.483754      0.437511
  C      -4.169532      3.147809     -0.333039
  N      -4.532863      2.836556     -1.557054
  C      -3.945775      1.737995     -2.114830
  C      -4.291283      1.375433     -3.438354
  C      -3.703315      0.274806     -4.023192
  C      -2.752804     -0.500789     -3.314380
  C      -2.399923     -0.179869     -2.021605
  C      -2.989019      0.946333     -1.389960
  C      -4.648965      0.062811      5.649631
  C      -5.870736      0.012768      6.557084
  O      -6.116791      1.328730      7.105573
  C      -7.377592      1.797853      7.029222
  O      -8.319111      1.205317      6.533022
  C      -7.485107      3.156607      7.677204
  N      -6.726351      3.352578      8.747546
  C      -6.812752      4.568926      9.345666
  N      -7.514635      5.609298      8.942297
  C      -8.293128      5.425756      7.835018
  C      -9.053990      6.516190      7.347369
  C      -9.858610      6.352722      6.240361
  C      -9.939171      5.098924      5.587143
  C      -9.208294      4.019159      6.035634
  C      -8.357195      4.159456      7.161773
  H      -3.260169      4.655559      8.384096
  H      -4.298721      3.419758      7.675535
  H      -3.753678      6.031928      6.184083
  H      -5.025343      5.865063      7.449173
  H      -7.818899      1.320788      3.895078
  H      -8.380319      3.247186     -0.225217
  H      -7.644102      5.392272     -1.281802
  H      -6.227905      6.990050     -0.001340
  H      -5.478006      6.453633      2.290227
  H      -1.766833      0.084681      3.559986
  H      -0.226162     -0.488703      4.189868
  H       0.313624     -0.132185      1.962323
  H       0.761449      1.484223      2.617293
  H      -4.628933      4.026410      0.127316
  H      -5.021163      1.991182     -3.964523
  H      -3.966839     -0.005691     -5.044094
  H      -2.297922     -1.364386     -3.801060
  H      -1.678689     -0.787570     -1.478236
  H      -4.873674      0.697894      4.781527
  H      -4.474134     -0.966172      5.279553
  H      -6.748190     -0.323872      5.989211
  H      -5.730593     -0.661940      7.414076
  H      -6.211538      4.693737     10.251589
  H      -8.985323      7.467756      7.875667
  H     -10.446953      7.192292      5.866504
  H     -10.591349      4.986213      4.719770
  H      -9.284631      3.053517      5.541851
  N      -3.248858      2.553378      3.966371
  N      -2.683421      3.457314      2.989656
  H      -3.084246      4.409802      3.141809
  H      -1.653776      3.512841      3.062732
  H      -2.921554      3.108146      2.001336
100
Coordinates from ORCA-job orca E -6707.597127681348
  N      -2.435984      3.741495      6.686267
  Mo     -2.446075      2.095759      5.568655
  N      -3.436414      0.588081      6.282054
  C      -2.886871     -0.248804      7.354121
  C      -2.057369      0.601506      8.302004
  N      -1.145184      1.485026      7.540154
  C      -0.818026      2.749992      8.250180
  C      -1.146932      3.944364      7.340955
  C       0.044346      0.789954      7.007690
  C       0.437968      1.452991      5.687616
  N      -0.731029      1.476103      4.799349
  H      -0.361305      4.070660      6.579022
  H      -1.148653      4.878095      7.930677
  H       0.237932      2.761039      8.566102
  H      -1.434390      2.804537      9.157703
  H       1.272169      0.904716      5.220358
  H       0.799886      2.475712      5.872689
  H      -0.227829     -0.257302      6.810963
  H       0.872889      0.797518      7.737910
  H      -3.692968     -0.721701      7.938039
  H      -2.291032     -1.073181      6.918047
  H      -2.740454      1.251812      8.864210
  H      -1.510231     -0.030674      9.024553
  C      -3.604362      4.232485      7.425167
  C      -4.402442      5.325721      6.729856
  O      -5.350018      4.722187      5.794417
  C      -5.126225      4.866891      4.491422
  O      -4.222468      5.544671      4.004677
  C      -6.124753      4.101170      3.657747
  N      -6.603693      2.985182      4.186100
  C      -7.413996      2.228699      3.404985
  N      -7.775231      2.472962      2.159406
  C      -7.331058      3.642045      1.615271
  C      -7.725577      3.972016      0.294742
  C      -7.320834      5.162119     -0.268579
  C      -6.513892      6.066287      0.464009
  C      -6.096539      5.767628      1.744970
  C      -6.483087      4.541505      2.348445
  C      -0.723245      0.411557      3.788422
  C      -0.048103      0.782147      2.467046
  O      -0.972489      1.465427      1.562793
  C      -1.763588      0.641007      0.839841
  O      -1.740543     -0.573664      0.901196
  C      -2.700144      1.405851     -0.061408
  N      -3.252602      2.504085      0.443179
  C      -4.156855      3.169455     -0.325613
  N      -4.536391      2.847531     -1.542113
  C      -3.968272      1.734898     -2.091690
  C      -4.333086      1.359242     -3.406248
  C      -3.764861      0.244432     -3.983746
  C      -2.814963     -0.532584     -3.276113
  C      -2.442895     -0.199331     -1.991709
  C      -3.012650      0.941011     -1.367780
  C      -4.638019      0.062998      5.633603
  C      -5.862386      0.006771      6.536939
  O      -6.113657      1.320011      7.089718
  C      -7.374228      1.788966      7.005518
  O      -8.311332      1.198058      6.499175
  C      -7.487223      3.144391      7.659550
  N      -6.734998      3.336451      8.735058
  C      -6.826175      4.549728      9.338439
  N      -7.526681      5.591267      8.935567
  C      -8.299103      5.411750      7.823460
  C      -9.058750      6.503621      7.337072
  C      -9.857935      6.344379      6.225563
  C      -9.933957      5.093355      5.566551
  C      -9.203930      4.012332      6.013478
  C      -8.358245      4.148314      7.144174
  H      -3.266939      4.649921      8.390304
  H      -4.302182      3.414818      7.675545
  H      -3.759000      6.032696      6.192755
  H      -5.033553      5.857687      7.453662
  H      -7.799068      1.316319      3.869714
  H      -8.357738      3.263588     -0.241275
  H      -7.626286      5.416629     -1.284363
  H      -6.217659      7.011593      0.007001
  H      -5.471323      6.465793      2.297690
  H      -1.749021      0.084704      3.568875
  H      -0.200972     -0.474901      4.191951
  H       0.324306     -0.116420      1.958829
  H       0.767735      1.499451      2.617831
  H      -4.601541      4.059146      0.127973
  H      -5.061743      1.976769     -3.932096
  H      -4.044106     -0.045932     -4.997669
  H      -2.374713     -1.407130     -3.756733
  H      -1.722422     -0.808011     -1.448590
  H      -4.861364      0.700466      4.766890
  H      -4.459690     -0.964308      5.260403
  H      -6.737335     -0.330151      5.965372
  H      -5.723453     -0.670751      7.391917
  H      -6.229703      4.671360     10.247910
  H      -8.993167      7.452617      7.870373
  H     -10.445475      7.184788      5.852350
  H     -10.582097      4.983627      4.695770
  H      -9.276749      3.049008      5.514643
  N      -3.237925      2.564449      3.965045
  N      -2.669476      3.473798      2.995280
  H      -3.073614      4.424515      3.149918
  H      -1.640150      3.529730      3.072706
  H      -2.902313      3.130615      2.002958
100
Coordinates from ORCA-job orca E -6707.597145411693
  N      -2.433856      3.742609      6.692073
  Mo     -2.436230      2.101014      5.568052
  N      -3.427555      0.589196      6.270932
  C      -2.879883     -0.252389      7.340537
  C      -2.056316      0.594558      8.296594
  N      -1.143113      1.484218      7.543205
  C      -0.822432      2.746770      8.260084
  C      -1.147549      3.943920      7.353281
  C       0.050419      0.794277      7.013059
  C       0.447912      1.462290      5.696462
  N      -0.717761      1.484672      4.803648
  H      -0.358401      4.073562      6.595680
  H      -1.152699      4.875665      7.946145
  H       0.231308      2.758309      8.583444
  H      -1.445172      2.797514      9.163498
  H       1.285143      0.917405      5.230636
  H       0.806783      2.485322      5.885316
  H      -0.218428     -0.252853      6.811158
  H       0.875749      0.800647      7.746930
  H      -3.687126     -0.730365      7.918779
  H      -2.280776     -1.072991      6.901976
  H      -2.743059      1.240009      8.859916
  H      -1.510925     -0.040689      9.017776
  C      -3.605358      4.229870      7.428828
  C      -4.404042      5.321639      6.732215
  O      -5.346377      4.716309      5.791976
  C      -5.121352      4.869487      4.490397
  O      -4.219981      5.554269      4.008764
  C      -6.115233      4.104649      3.650004
  N      -6.589465      2.982730      4.170004
  C      -7.395425      2.228153      3.382429
  N      -7.756490      2.479629      2.138261
  C      -7.316692      3.654319      1.602813
  C      -7.710395      3.991419      0.283914
  C      -7.309360      5.186666     -0.271080
  C      -6.507371      6.089335      0.468792
  C      -6.091281      5.784109      1.748677
  C      -6.473771      4.552485      2.343320
  C      -0.705812      0.420608      3.791837
  C      -0.038186      0.796015      2.468339
  O      -0.968038      1.476831      1.567855
  C      -1.762662      0.650167      0.852258
  O      -1.740265     -0.564220      0.918151
  C      -2.702635      1.413214     -0.047095
  N      -3.234660      2.525491      0.448733
  C      -4.138059      3.193453     -0.318254
  N      -4.536425      2.860423     -1.525858
  C      -3.990811      1.732091     -2.066025
  C      -4.377177      1.343649     -3.370744
  C      -3.832216      0.212977     -3.939888
  C      -2.884380     -0.567508     -3.233555
  C      -2.490726     -0.221872     -1.958820
  C      -3.037381      0.934403     -1.343313
  C      -4.625588      0.064541      5.615589
  C      -5.852848      0.001322      6.514399
  O      -6.109685      1.311125      7.072458
  C      -7.370648      1.778541      6.982578
  O      -8.303529      1.188303      6.467791
  C      -7.489352      3.131192      7.641085
  N      -6.742876      3.320913      8.720899
  C      -6.838642      4.531977      9.327818
  N      -7.539799      5.573421      8.925704
  C      -8.306615      5.396363      7.809355
  C      -9.066353      6.488600      7.323784
  C      -9.859555      6.332314      6.207662
  C      -9.929162      5.083875      5.543069
  C      -9.199042      4.002551      5.989056
  C      -8.359518      4.135437      7.124725
  H      -3.271448      4.646914      8.395281
  H      -4.302248      3.410517      7.676452
  H      -3.761466      6.031417      6.197853
  H      -5.039673      5.850784      7.454157
  H      -7.776699      1.310582      3.840001
  H      -8.338521      3.283988     -0.258125
  H      -7.614053      5.446509     -1.285734
  H      -6.214307      7.038654      0.018106
  H      -5.469890      6.481488      2.306634
  H      -1.730188      0.086067      3.577201
  H      -0.175823     -0.461739      4.194084
  H       0.336524     -0.100077      1.957379
  H       0.775797      1.515558      2.618537
  H      -4.565413      4.095494      0.127812
  H      -5.103517      1.964256     -3.896190
  H      -4.128734     -0.086857     -4.946115
  H      -2.462308     -1.454844     -3.707052
  H      -1.772098     -0.832950     -1.416252
  H      -4.847114      0.704924      4.750588
  H      -4.443665     -0.960834      5.238721
  H      -6.724920     -0.335383      5.938298
  H      -5.715082     -0.679850      7.366650
  H      -6.247072      4.651488     10.240764
  H      -9.005001      7.435237      7.861768
  H     -10.447330      7.172716      5.834817
  H     -10.572567      4.976256      4.668508
  H      -9.267236      3.041221      5.485745
  N      -3.224284      2.578191      3.964839
  N      -2.652499      3.492892      3.002055
  H      -3.063677      4.440555      3.155792
  H      -1.624000      3.553405      3.086421
  H      -2.878054      3.148694      2.007727
100
Coordinates from ORCA-job orca E -6707.597155511635
  N      -2.433446      3.743089      6.695353
  Mo     -2.431106      2.104133      5.567568
  N      -3.422433      0.589780      6.264479
  C      -2.876523     -0.253762      7.333397
  C      -2.055837      0.591235      8.293688
  N      -1.142039      1.483999      7.544904
  C      -0.824461      2.745378      8.265048
  C      -1.148475      3.943972      7.359630
  C       0.053375      0.796655      7.015862
  C       0.453406      1.468015      5.701817
  N      -0.709933      1.490638      4.805927
  H      -0.357875      4.075885      6.604026
  H      -1.155717      4.874671      7.954162
  H       0.228252      2.757199      8.591736
  H      -1.449875      2.794363      9.166764
  H       1.292348      0.925197      5.236623
  H       0.810723      2.491055      5.893348
  H      -0.214157     -0.250152      6.810491
  H       0.876782      0.801137      7.751923
  H      -3.684702     -0.733739      7.908739
  H      -2.276071     -1.073014      6.894124
  H      -2.744492      1.234090      8.857659
  H      -1.511366     -0.045740      9.014015
  C      -3.606738      4.228268      7.430937
  C      -4.405141      5.319617      6.733653
  O      -5.344000      4.714119      5.789799
  C      -5.117117      4.870764      4.489261
  O      -4.216504      5.558626      4.010474
  C      -6.108469      4.106379      3.645110
  N      -6.580989      2.981695      4.160751
  C      -7.385109      2.228745      3.369707
  N      -7.746331      2.484405      2.126435
  C      -7.308097      3.661740      1.595582
  C      -7.701615      4.003191      0.277793
  C      -7.301578      5.200714     -0.272919
  C      -6.500826      6.101594      0.470518
  C      -6.085324      5.792496      1.749633
  C      -6.466781      4.558391      2.339859
  C      -0.695138      0.426675      3.793631
  C      -0.031017      0.804699      2.469593
  O      -0.963110      1.484114      1.570568
  C      -1.761550      0.656800      0.860191
  O      -1.740492     -0.557178      0.929923
  C      -2.703653      1.419060     -0.038387
  N      -3.222729      2.540310      0.451348
  C      -4.125431      3.209614     -0.315289
  N      -4.534744      2.870036     -1.517590
  C      -4.003614      1.731832     -2.051088
  C      -4.403010      1.335505     -3.349614
  C      -3.873459      0.194143     -3.911885
  C      -2.928542     -0.589173     -3.204872
  C      -2.521580     -0.235387     -1.936507
  C      -3.052622      0.931488     -1.328053
  C      -4.617755      0.064661      5.604412
  C      -5.847112     -0.002621      6.500069
  O      -6.107246      1.305036      7.061209
  C      -7.368342      1.771945      6.967708
  O      -8.298669      1.182617      6.447337
  C      -7.490244      3.122753      7.629072
  N      -6.746902      3.310807      8.711323
  C      -6.845945      4.520084      9.321106
  N      -7.548134      5.561401      8.920332
  C      -8.311863      5.386083      7.801620
  C      -9.072728      6.478359      7.317708
  C      -9.862411      6.324220      6.198884
  C      -9.927332      5.077840      5.529935
  C      -9.196445      3.996466      5.974401
  C      -8.360444      4.127126      7.112977
  H      -3.274656      4.644569      8.398281
  H      -4.303412      3.408129      7.676713
  H      -3.762143      6.031160      6.202174
  H      -5.044206      5.846814      7.454022
  H      -7.764677      1.308557      3.823461
  H      -8.328562      3.296956     -0.267171
  H      -7.606014      5.463635     -1.286855
  H      -6.208605      7.052762      0.023179
  H      -5.465153      6.488802      2.310244
  H      -1.718624      0.088083      3.581085
  H      -0.161187     -0.453387      4.195388
  H       0.344566     -0.090710      1.957856
  H       0.782735      1.524797      2.618098
  H      -4.542078      4.119346      0.125363
  H      -5.126940      1.958271     -3.875796
  H      -4.180197     -0.111662     -4.913250
  H      -2.519170     -1.485562     -3.672467
  H      -1.805248     -0.848459     -1.393381
  H      -4.837789      0.706269      4.739986
  H      -4.433195     -0.959686      5.225984
  H      -6.717155     -0.339063      5.920736
  H      -5.710097     -0.685975      7.350668
  H      -6.255876      4.638651     10.235147
  H      -9.014379      7.423092      7.859365
  H     -10.451090      7.164463      5.827117
  H     -10.567764      4.971786      4.652990
  H      -9.261517      3.036631      5.467836
  N      -3.216459      2.585545      3.964345
  N      -2.642668      3.503043      3.005316
  H      -3.055185      4.449755      3.160775
  H      -1.614409      3.562610      3.091786
  H      -2.864115      3.165845      2.007884
100
Coordinates from ORCA-job orca E -6707.597162534315
  N      -2.432223      3.744008      6.697547
  Mo     -2.427251      2.106568      5.567304
  N      -3.418196      0.590010      6.259617
  C      -2.874184     -0.254631      7.328420
  C      -2.055637      0.588998      8.291795
  N      -1.141379      1.483948      7.546397
  C      -0.826020      2.744338      8.269043
  C      -1.148568      3.944013      7.364494
  C       0.055502      0.798432      7.018136
  C       0.457398      1.472079      5.705946
  N      -0.704054      1.495849      4.807685
  H      -0.356796      4.076963      6.610323
  H      -1.156953      4.874032      7.960112
  H       0.225816      2.756071      8.598526
  H      -1.453703      2.792024      9.169285
  H       1.297333      0.930334      5.241253
  H       0.814191      2.494903      5.899658
  H      -0.210980     -0.248246      6.810656
  H       0.877540      0.801912      7.755726
  H      -3.683184     -0.736001      7.901442
  H      -2.272425     -1.072977      6.889110
  H      -2.745871      1.229973      8.856016
  H      -1.511713     -0.049021      9.011579
  C      -3.607104      4.226896      7.432241
  C      -4.406228      5.317565      6.734890
  O      -5.342884      4.712362      5.788773
  C      -5.114845      4.872276      4.488956
  O      -4.214646      5.562486      4.012773
  C      -6.104088      4.108737      3.641537
  N      -6.575829      2.981856      4.153122
  C      -7.377340      2.230074      3.358392
  N      -7.736842      2.488751      2.115227
  C      -7.299469      3.668269      1.588515
  C      -7.690992      4.012927      0.270992
  C      -7.291694      5.212527     -0.275604
  C      -6.493765      6.112475      0.471968
  C      -6.080232      5.800431      1.750931
  C      -6.460885      4.564039      2.337060
  C      -0.687636      0.432637      3.794485
  C      -0.025575      0.812967      2.470353
  O      -0.959467      1.490218      1.571847
  C      -1.759680      0.661388      0.864671
  O      -1.736749     -0.552350      0.935832
  C      -2.704943      1.421924     -0.031838
  N      -3.215276      2.548767      0.454483
  C      -4.119066      3.218243     -0.310692
  N      -4.536928      2.873980     -1.508757
  C      -4.015334      1.729722     -2.038368
  C      -4.425047      1.327980     -3.332115
  C      -3.906184      0.179750     -3.890202
  C      -2.962086     -0.605208     -3.183844
  C      -2.544611     -0.245793     -1.920496
  C      -3.064514      0.928284     -1.316067
  C      -4.611433      0.064775      5.595719
  C      -5.842868     -0.005276      6.488470
  O      -6.105166      1.300877      7.051784
  C      -7.366515      1.766903      6.956792
  O      -8.295456      1.177660      6.433890
  C      -7.490795      3.116427      7.620157
  N      -6.749673      3.303300      8.704189
  C      -6.851612      4.511212      9.316195
  N      -7.554804      5.552281      8.916478
  C      -8.316189      5.378126      7.795973
  C      -9.078041      6.470203      7.313067
  C      -9.865103      6.317293      6.192259
  C      -9.926516      5.072308      5.520327
  C      -9.194899      3.991124      5.963945
  C      -8.361383      4.120635      7.104511
  H      -3.276301      4.643327      8.399953
  H      -4.302748      3.405649      7.677352
  H      -3.762984      6.030525      6.205618
  H      -5.047445      5.843084      7.454612
  H      -7.756337      1.308030      3.808892
  H      -8.315836      3.307250     -0.277112
  H      -7.594523      5.477725     -1.289426
  H      -6.202161      7.065434      0.028033
  H      -5.462225      6.496068      2.314728
  H      -1.710400      0.091763      3.582176
  H      -0.151403     -0.446470      4.195121
  H       0.351255     -0.082073      1.958633
  H       0.787232      1.534533      2.616658
  H      -4.528762      4.132499      0.127167
  H      -5.148365      1.951833     -3.857804
  H      -4.220908     -0.130288     -4.887790
  H      -2.561951     -1.507565     -3.647930
  H      -1.828883     -0.860028     -1.377977
  H      -4.829908      0.707729      4.731928
  H      -4.424962     -0.958722      5.215954
  H      -6.711205     -0.341010      5.906175
  H      -5.707034     -0.690426      7.337784
  H      -6.262873      4.629052     10.231198
  H      -9.022312      7.413713      7.857125
  H     -10.454528      7.157348      5.821248
  H     -10.564763      4.967208      4.641670
  H      -9.257557      3.032236      5.455271
  N      -3.210334      2.591719      3.964248
  N      -2.634960      3.511078      3.007824
  H      -3.050557      4.456621      3.162007
  H      -1.607328      3.573387      3.098362
  H      -2.852955      3.172376      2.010219
100
Coordinates from ORCA-job orca E -6707.597167457122
  N      -2.431233      3.745302      6.697773
  Mo     -2.427598      2.107863      5.567246
  N      -3.418330      0.590553      6.258051
  C      -2.876379     -0.253719      7.327960
  C      -2.057349      0.589388      8.291404
  N      -1.142495      1.483809      7.546287
  C      -0.825919      2.743671      8.269281
  C      -1.147773      3.943976      7.365187
  C       0.053775      0.797459      7.017664
  C       0.456982      1.472161      5.706714
  N      -0.703711      1.498717      4.807572
  H      -0.356038      4.076611      6.610899
  H      -1.155526      4.873776      7.961169
  H       0.225977      2.754274      8.598545
  H      -1.453277      2.791632      9.169749
  H       1.296571      0.929968      5.241902
  H       0.814993      2.494313      5.901833
  H      -0.214025     -0.248654      6.808920
  H       0.875463      0.798833      7.755654
  H      -3.686387     -0.733632      7.900766
  H      -2.275264     -1.073225      6.889785
  H      -2.747398      1.230671      8.855544
  H      -1.513700     -0.048877      9.011154
  C      -3.606384      4.227801      7.432389
  C      -4.406353      5.317507      6.734657
  O      -5.342692      4.712145      5.788525
  C      -5.115069      4.872756      4.488661
  O      -4.215497      5.563821      4.012579
  C      -6.103981      4.109149      3.641094
  N      -6.575606      2.981947      4.152070
  C      -7.376626      2.230244      3.356887
  N      -7.735814      2.489216      2.113674
  C      -7.299065      3.669280      1.587641
  C      -7.690800      4.014497      0.270336
  C      -7.292371      5.214702     -0.275475
  C      -6.495098      6.114680      0.472744
  C      -6.081221      5.802105      1.751391
  C      -6.460883      4.564996      2.336830
  C      -0.687563      0.436526      3.793343
  C      -0.023470      0.817429      2.470629
  O      -0.955819      1.493594      1.570073
  C      -1.757804      0.663489      0.865670
  O      -1.734851     -0.550075      0.939197
  C      -2.703117      1.423241     -0.031206
  N      -3.209735      2.552930      0.452462
  C      -4.111987      3.222861     -0.314279
  N      -4.531232      2.876598     -1.511313
  C      -4.013609      1.729310     -2.038007
  C      -4.425362      1.325225     -3.330408
  C      -3.911210      0.173178     -3.884801
  C      -2.969985     -0.613258     -3.176142
  C      -2.550184     -0.251057     -1.914369
  C      -3.065030      0.927047     -1.313509
  C      -4.610392      0.064972      5.592159
  C      -5.842997     -0.006777      6.483422
  O      -6.105441      1.298194      7.049056
  C      -7.366709      1.764454      6.954591
  O      -8.295792      1.175768      6.431340
  C      -7.490775      3.113497      7.618973
  N      -6.749114      3.299513      8.702875
  C      -6.850701      4.507047      9.315693
  N      -7.554235      5.548383      8.917261
  C      -8.315795      5.375192      7.796718
  C      -9.077562      6.467781      7.314754
  C      -9.864457      6.315962      6.193706
  C      -9.925827      5.071602      5.520548
  C      -9.194416      3.989951      5.963311
  C      -8.361096      4.118343      7.104196
  H      -3.275183      4.645614      8.399393
  H      -4.301115      3.406199      7.679018
  H      -3.762902      6.030582      6.205782
  H      -5.048094      5.842834      7.454070
  H      -7.755446      1.307962      3.807055
  H      -8.315255      3.308720     -0.278085
  H      -7.595435      5.480335     -1.289115
  H      -6.204348      7.068348      0.029744
  H      -5.463877      6.497829      2.315810
  H      -1.710385      0.097292      3.578819
  H      -0.153157     -0.443860      4.193532
  H       0.354779     -0.077856      1.960154
  H       0.788756      1.539709      2.616456
  H      -4.519499      4.138977      0.121706
  H      -5.146670      1.949973     -3.857758
  H      -4.227454     -0.138835     -4.881303
  H      -2.574121     -1.518996     -3.637264
  H      -1.836468     -0.866287     -1.370357
  H      -4.828166      0.708794      4.728849
  H      -4.422641     -0.957990      5.211653
  H      -6.710645     -0.341011      5.899259
  H      -5.707990     -0.693841      7.331313
  H      -6.261973      4.624027     10.230820
  H      -9.021786      7.410731      7.859775
  H     -10.453800      7.156398      5.823424
  H     -10.563837      4.967430      4.641611
  H      -9.257201      3.031518      5.453825
  N      -3.209328      2.595005      3.964183
  N      -2.633773      3.514725      3.008302
  H      -3.050891      4.459832      3.161290
  H      -1.606578      3.578653      3.101394
  H      -2.848915      3.175761      2.010459
100
Coordinates from ORCA-job orca E -6707.597170882224
  N      -2.431054      3.746642      6.698091
  Mo     -2.428872      2.108858      5.567817
  N      -3.418501      0.590595      6.258104
  C      -2.877806     -0.252810      7.329243
  C      -2.058156      0.590693      8.291861
  N      -1.143318      1.484631      7.546163
  C      -0.825804      2.744226      8.269208
  C      -1.147867      3.945007      7.365783
  C       0.052482      0.797969      7.016845
  C       0.456185      1.474141      5.706937
  N      -0.704179      1.502249      4.807405
  H      -0.356238      4.078081      6.611440
  H      -1.155684      4.874414      7.962365
  H       0.226385      2.754314      8.597522
  H      -1.452314      2.791978      9.170265
  H       1.295890      0.932407      5.241805
  H       0.814228      2.496018      5.903449
  H      -0.216125     -0.247706      6.806881
  H       0.874125      0.797890      7.754904
  H      -3.688476     -0.731011      7.902522
  H      -2.277415     -1.073553      6.892351
  H      -2.747899      1.232398      8.855902
  H      -1.514320     -0.047255      9.011760
  C      -3.606560      4.228065      7.432930
  C      -4.407109      5.317639      6.735736
  O      -5.342730      4.712363      5.788963
  C      -5.114067      4.873114      4.489186
  O      -4.214282      5.564509      4.014013
  C      -6.101985      4.109377      3.640763
  N      -6.574275      2.982298      4.151389
  C      -7.373815      2.230056      3.355284
  N      -7.730659      2.488282      2.111221
  C      -7.293628      3.668407      1.585532
  C      -7.683616      4.013098      0.267553
  C      -7.285584      5.213697     -0.277680
  C      -6.490281      6.114427      0.471708
  C      -6.077820      5.802208      1.750880
  C      -6.457218      4.564796      2.335884
  C      -0.688385      0.440225      3.793077
  C      -0.022744      0.821159      2.471025
  O      -0.954882      1.496169      1.569551
  C      -1.755982      0.665156      0.864844
  O      -1.730204     -0.548398      0.938037
  C      -2.703242      1.423925     -0.030729
  N      -3.208678      2.554068      0.453137
  C      -4.112086      3.223730     -0.312402
  N      -4.532946      2.877250     -1.508797
  C      -4.016968      1.729363     -2.035707
  C      -4.431349      1.324715     -3.327054
  C      -3.919789      0.171380     -3.881088
  C      -2.978639     -0.615737     -3.173073
  C      -2.556152     -0.252815     -1.912409
  C      -3.067962      0.926835     -1.311843
  C      -4.609444      0.064124      5.590828
  C      -5.843281     -0.008625      6.480485
  O      -6.105998      1.295725      7.047290
  C      -7.367064      1.762325      6.952303
  O      -8.295946      1.174117      6.428165
  C      -7.491318      3.110922      7.617633
  N      -6.750009      3.296024      8.701989
  C      -6.851748      4.503109      9.315672
  N      -7.554751      5.544937      8.917572
  C      -8.315776      5.372712      7.796520
  C      -9.076840      6.465891      7.314765
  C      -9.863265      6.314987      6.193265
  C      -9.924861      5.070997      5.519406
  C      -9.194050      3.988832      5.961913
  C      -8.361197      4.116314      7.103252
  H      -3.275469      4.645952      8.399983
  H      -4.300543      3.405840      7.679597
  H      -3.763593      6.031250      6.207641
  H      -5.049249      5.842235      7.455309
  H      -7.753293      1.307979      3.805303
  H      -8.306710      3.306706     -0.281618
  H      -7.587450      5.479025     -1.291755
  H      -6.199747      7.068421      0.029266
  H      -5.461891      6.498421      2.316256
  H      -1.711314      0.102324      3.577032
  H      -0.155488     -0.441128      4.193211
  H       0.356867     -0.074069      1.961420
  H       0.788685      1.544370      2.616787
  H      -4.518380      4.140268      0.123804
  H      -5.152746      1.949901     -3.853755
  H      -4.238093     -0.141243     -4.876745
  H      -2.585002     -1.522569     -3.633945
  H      -1.842351     -0.868587     -1.369153
  H      -4.826637      0.708103      4.727484
  H      -4.420341     -0.958589      5.210379
  H      -6.710211     -0.341862      5.894714
  H      -5.709416     -0.696911      7.327563
  H      -6.263496      4.619262     10.231212
  H      -9.020955      7.408507      7.860356
  H     -10.452048      7.155886      5.823138
  H     -10.562544      4.967583      4.640146
  H      -9.256953      3.030733      5.451818
  N      -3.209038      2.596221      3.964254
  N      -2.632749      3.515730      3.009006
  H      -3.049343      4.461173      3.161826
  H      -1.605674      3.579330      3.103622
  H      -2.846679      3.177023      2.011044
100
Coordinates from ORCA-job orca E -6707.597112964797
  N      -2.427547      3.747199      6.694798
  Mo     -2.427609      2.106905      5.567525
  N      -3.415382      0.587583      6.258338
  C      -2.877996     -0.252153      7.334104
  C      -2.058163      0.594477      8.294024
  N      -1.142662      1.486135      7.546114
  C      -0.823743      2.746309      8.267542
  C      -1.145529      3.946708      7.363626
  C       0.052851      0.798287      7.017751
  C       0.458829      1.476387      5.709542
  N      -0.700017      1.505226      4.808035
  H      -0.353287      4.080374      6.610037
  H      -1.154694      4.875825      7.960578
  H       0.228951      2.756044      8.594261
  H      -1.448948      2.794646      9.169414
  H       1.299897      0.935967      5.245383
  H       0.815423      2.498303      5.908269
  H      -0.216808     -0.246804      6.806220
  H       0.873616      0.796721      7.756833
  H      -3.690597     -0.725454      7.908688
  H      -2.278831     -1.076298      6.902065
  H      -2.747735      1.238254      8.855859
  H      -1.514736     -0.041291      9.016209
  C      -3.603655      4.224449      7.431760
  C      -4.406351      5.315924      6.739917
  O      -5.344020      4.713114      5.793725
  C      -5.120040      4.880318      4.493700
  O      -4.224509      5.577552      4.019033
  C      -6.111511      4.121460      3.645326
  N      -6.579040      2.989827      4.150245
  C      -7.381275      2.241614      3.353031
  N      -7.744476      2.507963      2.112491
  C      -7.313277      3.693190      1.593463
  C      -7.712096      4.047226      0.280554
  C      -7.322068      5.254085     -0.256724
  C      -6.525703      6.151450      0.495515
  C      -6.104057      5.829734      1.769388
  C      -6.475559      4.586163      2.346165
  C      -0.683591      0.440750      3.796340
  C      -0.012433      0.818125      2.475172
  O      -0.943700      1.489254      1.569957
  C      -1.738033      0.655945      0.860344
  O      -1.703861     -0.557646      0.931767
  C      -2.689464      1.411112     -0.033900
  N      -3.195373      2.540924      0.450248
  C      -4.102403      3.208240     -0.312538
  N      -4.525308      2.860946     -1.507890
  C      -4.010219      1.712855     -2.035246
  C      -4.428997      1.306489     -3.324467
  C      -3.920402      0.151737     -3.878298
  C      -2.977845     -0.634947     -3.171830
  C      -2.551009     -0.270470     -1.913077
  C      -3.059076      0.911192     -1.312787
  C      -4.603314      0.058173      5.587997
  C      -5.840860     -0.014249      6.472696
  O      -6.104511      1.290258      7.038791
  C      -7.364700      1.758130      6.939422
  O      -8.292219      1.170931      6.411721
  C      -7.490308      3.105980      7.606237
  N      -6.752278      3.289069      8.693198
  C      -6.855759      4.495061      9.308722
  N      -7.555979      5.538238      8.909218
  C      -8.313809      5.367994      7.785725
  C      -9.072358      6.462377      7.302814
  C      -9.856431      6.313044      6.179429
  C      -9.918134      5.069479      5.504774
  C      -9.189318      3.986277      5.948145
  C      -8.358697      4.112270      7.091232
  H      -3.272572      4.639496      8.400133
  H      -4.295936      3.400221      7.676408
  H      -3.764346      6.031525      6.212614
  H      -5.046405      5.837931      7.463137
  H      -7.756997      1.315783      3.798418
  H      -8.335951      3.343092     -0.270625
  H      -7.631069      5.526892     -1.266645
  H      -6.241063      7.110169      0.059529
  H      -5.486920      6.523106      2.336985
  H      -1.706615      0.105325      3.576905
  H      -0.154677     -0.441739      4.199517
  H       0.370746     -0.077615      1.969393
  H       0.797014      1.543414      2.622147
  H      -4.507443      4.125221      0.123828
  H      -5.151647      1.931537     -3.849641
  H      -4.242350     -0.162627     -4.872226
  H      -2.586333     -1.542706     -3.632716
  H      -1.835827     -0.886099     -1.371555
  H      -4.818156      0.700480      4.722796
  H      -4.411225     -0.964952      5.210217
  H      -6.705694     -0.346413      5.883276
  H      -5.711179     -0.703304      7.319802
  H      -6.269799      4.609684     10.225922
  H      -9.016789      7.404607      7.849107
  H     -10.443238      7.154922      5.808389
  H     -10.554306      4.967310      4.624285
  H      -9.251897      3.028675      5.437034
  N      -3.201467      2.590792      3.960416
  N      -2.620836      3.508459      3.007262
  H      -3.034989      4.455393      3.158760
  H      -1.593840      3.569832      3.106430
  H      -2.831218      3.169842      2.008784
100
Coordinates from ORCA-job orca E -6707.597168937294
  N      -2.429716      3.749001      6.695191
  Mo     -2.431807      2.109413      5.567129
  N      -3.421097      0.591222      6.258279
  C      -2.882204     -0.250485      7.331740
  C      -2.061314      0.594362      8.292228
  N      -1.145889      1.486289      7.544587
  C      -0.825979      2.745811      8.266843
  C      -1.146986      3.946784      7.363448
  C       0.048851      0.797877      7.015188
  C       0.453795      1.475006      5.706132
  N      -0.706151      1.504758      4.806072
  H      -0.354941      4.079498      6.609513
  H      -1.154624      4.875959      7.960351
  H       0.226716      2.754640      8.593594
  H      -1.451159      2.794289      9.168742
  H       1.293545      0.933343      5.241026
  H       0.812061      2.496511      5.903986
  H      -0.221402     -0.247191      6.804385
  H       0.870360      0.796233      7.753413
  H      -3.694035     -0.725092      7.906362
  H      -2.283478     -1.073715      6.897347
  H      -2.750120      1.237887      8.855297
  H      -1.517754     -0.042614      9.013221
  C      -3.605283      4.230844      7.429783
  C      -4.404652      5.321142      6.732289
  O      -5.340789      4.716280      5.785856
  C      -5.110700      4.874293      4.485771
  O      -4.208361      5.562057      4.010217
  C      -6.100756      4.112598      3.638158
  N      -6.575196      2.986719      4.149442
  C      -7.376826      2.235810      3.354127
  N      -7.733634      2.494376      2.110118
  C      -7.294872      3.673686      1.584031
  C      -7.685628      4.019110      0.266443
  C      -7.286645      5.219433     -0.278794
  C      -6.489382      6.118893      0.470000
  C      -6.075871      5.805641      1.748640
  C      -6.456367      4.568621      2.333598
  C      -0.690808      0.441931      3.792561
  C      -0.020092      0.820392      2.471722
  O      -0.950147      1.494070      1.567171
  C      -1.747312      0.662171      0.859279
  O      -1.718248     -0.551503      0.931724
  C      -2.695442      1.419653     -0.036394
  N      -3.201832      2.549362      0.447484
  C      -4.106131      3.218118     -0.317551
  N      -4.526810      2.871450     -1.513882
  C      -4.010555      1.723663     -2.040796
  C      -4.425552      1.318539     -3.331677
  C      -3.914662      0.164766     -3.885453
  C      -2.973454     -0.622153     -3.177393
  C      -2.550242     -0.258810     -1.917083
  C      -3.061156      0.921495     -1.316898
  C      -4.611264      0.063978      5.590242
  C      -5.845957     -0.009157      6.478759
  O      -6.108144      1.294745      7.046953
  C      -7.369233      1.761483      6.953744
  O      -8.298735      1.173625      6.430270
  C      -7.492967      3.108877      7.621757
  N      -6.749143      3.292577      8.704619
  C      -6.850345      4.498418      9.320827
  N      -7.554477      5.540668      8.925844
  C      -8.318395      5.369799      7.806571
  C      -9.081221      6.463298      7.328420
  C      -9.871149      6.313423      6.209221
  C      -9.934637      5.070167      5.534199
  C      -9.201901      3.987780      5.973046
  C      -8.365297      4.114328      7.111706
  H      -3.274569      4.648518      8.397109
  H      -4.299776      3.408948      7.676088
  H      -3.760323      6.033745      6.203794
  H      -5.045757      5.846834      7.451944
  H      -7.758434      1.314937      3.804771
  H      -8.310224      3.313629     -0.282175
  H      -7.589277      5.485532     -1.292436
  H      -6.197934      7.072620      0.027598
  H      -5.458300      6.500732      2.313636
  H      -1.714194      0.107299      3.573546
  H      -0.162074     -0.441203      4.194419
  H       0.361635     -0.075176      1.964517
  H       0.790374      1.544265      2.619703
  H      -4.513213      4.134086      0.119074
  H      -5.147083      1.943781     -3.858159
  H      -4.233625     -0.148570     -4.880665
  H      -2.580112     -1.529158     -3.638203
  H      -1.836042     -0.874435     -1.374199
  H      -4.828182      0.707711      4.726625
  H      -4.421183     -0.958726      5.210274
  H      -6.712672     -0.341070      5.891933
  H      -5.713442     -0.698778      7.324968
  H      -6.259725      4.613394     10.234983
  H      -9.024084      7.405342      7.874869
  H     -10.461265      7.154620      5.841903
  H     -10.575371      4.967538      4.657074
  H      -9.265970      3.030297      5.461925
  N      -3.208875      2.595417      3.961875
  N      -2.630640      3.514853      3.008513
  H      -3.046826      4.460626      3.160734
  H      -1.603651      3.578325      3.106335
  H      -2.841359      3.176839      2.009696
100
Coordinates from ORCA-job orca E -6707.596834106912
  N      -2.440096      3.735976      6.715888
  Mo     -2.434001      2.104597      5.576386
  N      -3.419580      0.580847      6.260141
  C      -2.874907     -0.266542      7.326159
  C      -2.055995      0.573952      8.292011
  N      -1.144038      1.473483      7.549343
  C      -0.828166      2.730482      8.277989
  C      -1.155439      3.934754      7.380916
  C       0.052478      0.791683      7.015346
  C       0.452478      1.474070      5.707533
  N      -0.709747      1.504608      4.810561
  H      -0.366058      4.073331      6.625246
  H      -1.164150      4.861426      7.981742
  H       0.224588      2.741779      8.604456
  H      -1.453133      2.772419      9.180421
  H       1.291772      0.935331      5.238197
  H       0.809978      2.495384      5.907940
  H      -0.213964     -0.253760      6.801652
  H       0.875311      0.790674      7.752023
  H      -3.683343     -0.750355      7.897906
  H      -2.272723     -1.083116      6.883957
  H      -2.746424      1.211554      8.859868
  H      -1.509936     -0.066269      9.008152
  C      -3.614831      4.209284      7.457460
  C      -4.426385      5.294386      6.765700
  O      -5.364520      4.683651      5.825029
  C      -5.143962      4.843686      4.523864
  O      -4.249311      5.537383      4.042445
  C      -6.125866      4.064567      3.682462
  N      -6.591808      2.940261      4.204901
  C      -7.385539      2.174425      3.415944
  N      -7.742006      2.416442      2.168552
  C      -7.310370      3.592717      1.629960
  C      -7.697624      3.918864      0.306518
  C      -7.302246      5.113708     -0.253041
  C      -6.513012      6.027343      0.487120
  C      -6.104026      5.733722      1.771785
  C      -6.480315      4.502390      2.371403
  C      -0.691648      0.451398      3.787442
  C      -0.030286      0.846231      2.467957
  O      -0.966113      1.526827      1.574877
  C      -1.769452      0.698367      0.870198
  O      -1.745071     -0.515688      0.937094
  C      -2.718469      1.461891     -0.018870
  N      -3.227656      2.586444      0.474131
  C      -4.133737      3.258634     -0.286471
  N      -4.555211      2.918361     -1.484473
  C      -4.034391      1.776699     -2.020236
  C      -4.447256      1.379833     -3.314551
  C      -3.929488      0.233790     -3.877879
  C      -2.983477     -0.553637     -3.176591
  C      -2.562283     -0.198200     -1.913352
  C      -3.080853      0.973518     -1.303556
  C      -4.611571      0.056549      5.593269
  C      -5.845688     -0.008667      6.482553
  O      -6.101659      1.299615      7.043284
  C      -7.358043      1.776374      6.938968
  O      -8.288060      1.195755      6.408396
  C      -7.471096      3.134799      7.585933
  N      -6.740114      3.323240      8.676648
  C      -6.830114      4.540155      9.272542
  N      -7.512687      5.586866      8.852404
  C      -8.262004      5.411427      7.723969
  C      -8.999647      6.509673      7.217969
  C      -9.773091      6.356231      6.087805
  C      -9.844404      5.104865      5.428787
  C      -9.136449      4.017492      5.895043
  C      -8.317818      4.146830      7.046443
  H      -3.281576      4.627698      8.423474
  H      -4.302729      3.382545      7.706258
  H      -3.790849      6.012094      6.233565
  H      -5.067325      5.814756      7.489484
  H      -7.760028      1.255053      3.875602
  H      -8.315705      3.202756     -0.235704
  H      -7.601710      5.364642     -1.271503
  H      -6.225067      6.976736      0.033213
  H      -5.492974      6.439906      2.330051
  H      -1.713849      0.111763      3.570591
  H      -0.154770     -0.431154      4.179339
  H       0.350641     -0.043081      1.949066
  H       0.778970      1.570634      2.619228
  H      -4.545937      4.168622      0.157962
  H      -5.172379      2.005151     -3.835960
  H      -4.246465     -0.072790     -4.875832
  H      -2.585106     -1.454664     -3.644713
  H      -1.844595     -0.813962     -1.375114
  H      -4.826522      0.699812      4.728822
  H      -4.426084     -0.967440      5.214432
  H      -6.713888     -0.339977      5.897511
  H      -5.715547     -0.694019      7.332600
  H      -6.253287      4.658866     10.195007
  H      -8.936685      7.458452      7.751973
  H     -10.343841      7.201162      5.699082
  H     -10.471371      4.999912      4.542036
  H      -9.206976      3.053931      5.396355
  N      -3.220398      2.598608      3.977258
  N      -2.651238      3.525515      3.024046
  H      -3.072205      4.467937      3.183036
  H      -1.624147      3.593980      3.114920
  H      -2.867369      3.190952      2.025062
100
Coordinates from ORCA-job orca E -6707.597122267331
  N      -2.428523      3.743878      6.697759
  Mo     -2.430590      2.104590      5.569429
  N      -3.419207      0.587698      6.264475
  C      -2.874989     -0.254627      7.334765
  C      -2.052791      0.589892      8.294130
  N      -1.139596      1.482211      7.544476
  C      -0.818879      2.742414      8.265241
  C      -1.143055      3.942231      7.361304
  C       0.054149      0.793651      7.013118
  C       0.454733      1.467570      5.701177
  N      -0.708393      1.495790      4.805224
  H      -0.353523      4.073935      6.604567
  H      -1.148568      4.872377      7.956755
  H       0.234393      2.752224      8.590068
  H      -1.442406      2.791652      9.168285
  H       1.292275      0.924096      5.234200
  H       0.814807      2.489167      5.895360
  H      -0.215894     -0.252078      6.805423
  H       0.877781      0.794104      7.748926
  H      -3.683941     -0.732394      7.910859
  H      -2.275814     -1.075669      6.896831
  H      -2.740751      1.232887      8.858875
  H      -1.507356     -0.047162      9.013584
  C      -3.601448      4.226847      7.435966
  C      -4.401441      5.319634      6.742779
  O      -5.338051      4.718942      5.794146
  C      -5.111492      4.888307      4.495126
  O      -4.215605      5.586879      4.023124
  C      -6.094948      4.122512      3.643398
  N      -6.568655      2.995902      4.153709
  C      -7.365686      2.242759      3.355871
  N      -7.718083      2.499279      2.110204
  C      -7.278215      3.678189      1.584126
  C      -7.661545      4.020143      0.263511
  C      -7.258828      5.218620     -0.282970
  C      -6.465580      6.120077      0.467766
  C      -6.060051      5.810736      1.749864
  C      -6.444347      4.575516      2.336163
  C      -0.694421      0.435165      3.789747
  C      -0.029744      0.817741      2.468129
  O      -0.962138      1.495793      1.569501
  C      -1.767812      0.666001      0.869265
  O      -1.747734     -0.547665      0.944247
  C      -2.713060      1.427564     -0.025882
  N      -3.217932      2.557572      0.459036
  C      -4.118867      3.229574     -0.307785
  N      -4.538817      2.884523     -1.504964
  C      -4.022886      1.736842     -2.032534
  C      -4.434577      1.334358     -3.325423
  C      -3.921418      0.182232     -3.880540
  C      -2.981147     -0.605665     -3.172177
  C      -2.561229     -0.244761     -1.910044
  C      -3.075287      0.933118     -1.308600
  C      -4.612312      0.059876      5.602226
  C      -5.842334     -0.011951      6.497111
  O      -6.105979      1.294313      7.059055
  C      -7.369794      1.754764      6.971426
  O      -8.300819      1.157985      6.460915
  C      -7.492810      3.111057      7.621112
  N      -6.740594      3.313240      8.694782
  C      -6.838746      4.528696      9.292323
  N      -7.549290      5.562797      8.887600
  C      -8.321613      5.373012      7.777174
  C      -9.090532      6.457444      7.288229
  C      -9.887608      6.289173      6.176757
  C      -9.952144      5.036084      5.520329
  C      -9.213859      3.962021      5.970136
  C      -8.370418      4.107110      7.101562
  H      -3.267627      4.642193      8.403130
  H      -4.296816      3.405723      7.682514
  H      -3.757853      6.034644      6.216697
  H      -5.042649      5.842175      7.464749
  H      -7.747215      1.321597      3.805960
  H      -8.282906      3.313227     -0.286957
  H      -7.555405      5.481836     -1.299170
  H      -6.171456      7.072401      0.024085
  H      -5.445482      6.507385      2.316223
  H      -1.718112      0.099118      3.574392
  H      -0.162337     -0.447326      4.188369
  H       0.348594     -0.076490      1.955920
  H       0.782109      1.540065      2.615602
  H      -4.525320      4.145877      0.128816
  H      -5.155062      1.960344     -3.852442
  H      -4.237520     -0.128742     -4.877409
  H      -2.586037     -1.511414     -3.633923
  H      -1.847927     -0.860867     -1.366451
  H      -4.833251      0.701824      4.738318
  H      -4.424213     -0.963553      5.223189
  H      -6.710974     -0.349804      5.916500
  H      -5.703557     -0.696198      7.346686
  H      -6.241435      4.659072     10.200000
  H      -9.031939      7.407639      7.820213
  H     -10.482432      7.123377      5.801182
  H     -10.598136      4.919045      4.648878
  H      -9.278976      2.996923      5.473759
  N      -3.215532      2.589944      3.966997
  N      -2.643648      3.508912      3.008087
  H      -3.060719      4.454028      3.162165
  H      -1.616212      3.573285      3.098358
  H      -2.859695      3.172180      2.010041
100
Coordinates from ORCA-job orca E -6707.596775184741
  N      -2.397375      3.751723      6.685025
  Mo     -2.414544      2.107939      5.563198
  N      -3.414923      0.598777      6.258772
  C      -2.883709     -0.242274      7.336928
  C      -2.056919      0.601429      8.293662
  N      -1.134003      1.483248      7.542536
  C      -0.804581      2.742398      8.261124
  C      -1.114857      3.943231      7.354307
  C       0.056369      0.784840      7.016193
  C       0.467357      1.457195      5.706134
  N      -0.691422      1.491588      4.804711
  H      -0.320523      4.068498      6.601451
  H      -1.117172      4.873589      7.949324
  H       0.248232      2.744044      8.587650
  H      -1.429507      2.797391      9.162721
  H       1.304916      0.910079      5.243520
  H       0.830406      2.477218      5.902937
  H      -0.220718     -0.258878      6.807619
  H       0.877239      0.780192      7.755173
  H      -3.699839     -0.707073      7.913374
  H      -2.291155     -1.072408      6.907469
  H      -2.741030      1.252992      8.853108
  H      -1.518735     -0.036054      9.018343
  C      -3.569657      4.240565      7.419428
  C      -4.364840      5.331051      6.718415
  O      -5.312254      4.723184      5.785031
  C      -5.081587      4.849776      4.481240
  O      -4.162847      5.504609      3.990874
  C      -6.106145      4.115782      3.650119
  N      -6.599400      3.000572      4.167067
  C      -7.432939      2.271624      3.384131
  N      -7.806581      2.543617      2.147949
  C      -7.350780      3.714798      1.618305
  C      -7.763224      4.077649      0.311931
  C      -7.351429      5.273501     -0.233837
  C      -6.518028      6.150047      0.502523
  C      -6.081812      5.818142      1.769055
  C      -6.476548      4.585939      2.354535
  C      -0.683363      0.422893      3.797351
  C      -0.002579      0.787463      2.475890
  O      -0.925552      1.463817      1.565151
  C      -1.717740      0.637170      0.845901
  O      -1.688681     -0.576759      0.914694
  C      -2.661706      1.397004     -0.052386
  N      -3.170983      2.524212      0.433377
  C      -4.075917      3.193618     -0.329175
  N      -4.491448      2.852719     -1.528578
  C      -3.973169      1.707156     -2.058494
  C      -4.386630      1.305918     -3.350812
  C      -3.876440      0.153091     -3.907328
  C      -2.937665     -0.637048     -3.199889
  C      -2.516803     -0.278682     -1.937396
  C      -3.026157      0.901665     -1.334474
  C      -4.605687      0.075524      5.588537
  C      -5.846325      0.012349      6.469917
  O      -6.112114      1.321373      7.025707
  C      -7.375500      1.781327      6.929198
  O      -8.303684      1.180431      6.418233
  C      -7.510510      3.125729      7.601618
  N      -6.754924      3.319205      8.674543
  C      -6.867521      4.521860      9.295003
  N      -7.591959      5.554078      8.910617
  C      -8.370769      5.372099      7.803511
  C      -9.158750      6.453388      7.338874
  C      -9.965453      6.291060      6.233360
  C     -10.021400      5.046865      5.559467
  C      -9.263731      3.976372      5.985159
  C      -8.408754      4.116601      7.108298
  H      -3.236183      4.660684      8.384893
  H      -4.267177      3.422580      7.669562
  H      -3.718878      6.033675      6.178577
  H      -4.995645      5.868135      7.438679
  H      -7.827408      1.357724      3.838019
  H      -8.415483      3.389795     -0.226741
  H      -7.670963      5.553357     -1.238506
  H      -6.215052      7.099952      0.059731
  H      -5.435649      6.494765      2.324325
  H      -1.709170      0.097675      3.575669
  H      -0.165482     -0.464074      4.205459
  H       0.374359     -0.113284      1.974853
  H       0.812527      1.506145      2.624986
  H      -4.481516      4.109229      0.109225
  H      -5.106456      1.933922     -3.876396
  H      -4.194371     -0.157590     -4.903681
  H      -2.544195     -1.542653     -3.663378
  H      -1.804696     -0.897437     -1.395362
  H      -4.814949      0.716084      4.720637
  H      -4.418846     -0.949963      5.214543
  H      -6.709856     -0.323349      5.880600
  H      -5.720905     -0.670999      7.322260
  H      -6.259021      4.647883     10.195733
  H      -9.107647      7.396329      7.884377
  H     -10.574767      7.123021      5.876494
  H     -10.676044      4.934006      4.693964
  H      -9.320981      3.018083      5.474550
  N      -3.182770      2.593328      3.954297
  N      -2.592664      3.506684      3.003837
  H      -3.000225      4.456941      3.152032
  H      -1.565598      3.562925      3.107441
  H      -2.803579      3.162594      2.006213
100
Coordinates from ORCA-job orca E -6707.597147359582
  N      -2.433351      3.748070      6.695904
  Mo     -2.437733      2.106940      5.569924
  N      -3.423547      0.588094      6.264909
  C      -2.880767     -0.252116      7.337640
  C      -2.058564      0.594807      8.295097
  N      -1.146030      1.486993      7.544129
  C      -0.825421      2.747232      8.264987
  C      -1.149525      3.947383      7.361598
  C       0.048059      0.799240      7.012330
  C       0.449211      1.476180      5.701936
  N      -0.713013      1.504413      4.804691
  H      -0.358987      4.080414      6.606145
  H      -1.156873      4.876867      7.958014
  H       0.228134      2.757171      8.588910
  H      -1.448294      2.795489      9.168473
  H       1.288365      0.935129      5.235072
  H       0.806911      2.498090      5.898662
  H      -0.221723     -0.246175      6.802694
  H       0.871344      0.798900      7.748567
  H      -3.690568     -0.726996      7.914892
  H      -2.282244     -1.075053      6.902471
  H      -2.746683      1.238343      8.858981
  H      -1.512508     -0.040613      9.015575
  C      -3.607985      4.230304      7.432013
  C      -4.406535      5.323138      6.737128
  O      -5.346259      4.721827      5.791966
  C      -5.119476      4.882448      4.491559
  O      -4.216377      5.568645      4.015296
  C      -6.109993      4.120057      3.644996
  N      -6.586086      2.995868      4.158550
  C      -7.389265      2.244705      3.364987
  N      -7.745693      2.501239      2.120476
  C      -7.304638      3.678508      1.591723
  C      -7.694758      4.021631      0.273337
  C      -7.293682      5.220063     -0.274548
  C      -6.494900      6.119845      0.472224
  C      -6.082005      5.808767      1.751605
  C      -6.464705      4.573742      2.339305
  C      -0.698234      0.441681      3.790971
  C      -0.025730      0.819141      2.470352
  O      -0.954668      1.491952      1.563666
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  O      -1.719369     -0.554181      0.925404
  C      -2.696525      1.416272     -0.043801
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  C      -4.111258      3.211467     -0.326468
  N      -4.526490      2.866255     -1.525065
  C      -4.004724      1.721220     -2.052639
  C      -4.413137      1.318106     -3.346217
  C      -3.895912      0.167700     -3.901132
  C      -2.954612     -0.617695     -3.191520
  C      -2.537904     -0.256456     -1.928435
  C      -3.055601      0.920259     -1.327071
  C      -4.614868      0.058968      5.600679
  C      -5.846709     -0.015641      6.492756
  O      -6.107939      1.288044      7.061953
  C      -7.368804      1.755197      6.969137
  O      -8.296783      1.170792      6.438983
  C      -7.491301      3.105190      7.632105
  N      -6.754936      3.289311      8.719916
  C      -6.855767      4.497598      9.331329
  N      -7.552848      5.541337      8.927935
  C      -8.309143      5.369954      7.803619
  C      -9.064024      6.464885      7.316305
  C      -9.846099      6.314566      6.191640
  C      -9.909352      5.069499      5.519989
  C      -9.184245      3.985625      5.967798
  C      -8.355893      4.112442      7.112454
  H      -3.276108      4.645976      8.399813
  H      -4.303613      3.409079      7.677484
  H      -3.761979      6.035207      6.208174
  H      -5.044816      5.849137      7.458994
  H      -7.772347      1.325383      3.817533
  H      -8.320717      3.316089     -0.273655
  H      -7.595998      5.484561     -1.288714
  H      -6.201861      7.072080      0.027667
  H      -5.463277      6.504062      2.315054
  H      -1.721938      0.108538      3.571304
  H      -0.171124     -0.442259      4.193265
  H       0.357196     -0.076440      1.964194
  H       0.784047      1.543496      2.619727
  H      -4.521848      4.125848      0.110248
  H      -5.134666      1.942375     -3.873869
  H      -4.209698     -0.144126     -4.898457
  H      -2.555940     -1.521825     -3.653402
  H      -1.823583     -0.870987     -1.384441
  H      -4.835340      0.702266      4.737607
  H      -4.424634     -0.963537      5.220243
  H      -6.714883     -0.348085      5.908359
  H      -5.711533     -0.705513      7.338359
  H      -6.271427      4.613224     10.249415
  H      -9.007333      7.408529      7.860029
  H     -10.429983      7.156980      5.817220
  H     -10.543739      4.966670      4.638294
  H      -9.248083      3.026779      5.459173
  N      -3.218387      2.590524      3.965579
  N      -2.643536      3.511541      3.011899
  H      -3.062232      4.456098      3.164398
  H      -1.616690      3.578222      3.109387
  H      -2.853264      3.173326      2.012815
100
Coordinates from ORCA-job orca E -6707.596988529291
  N      -2.427447      3.747024      6.687986
  Mo     -2.430376      2.107489      5.559870
  N      -3.430440      0.595105      6.248260
  C      -2.897499     -0.249365      7.322510
  C      -2.076847      0.591608      8.286504
  N      -1.154599      1.479165      7.542121
  C      -0.831534      2.738182      8.264422
  C      -1.144972      3.939886      7.358701
  C       0.038832      0.784245      7.018271
  C       0.451388      1.456731      5.709424
  N      -0.705894      1.492042      4.806303
  H      -0.350595      4.068355      6.606509
  H      -1.149955      4.869831      7.954465
  H       0.219963      2.742855      8.595053
  H      -1.459731      2.790463      9.164039
  H       1.288840      0.908973      5.247329
  H       0.815855      2.476153      5.906762
  H      -0.235517     -0.259923      6.808406
  H       0.857681      0.780080      7.759358
  H      -3.712584     -0.722303      7.893909
  H      -2.299965     -1.073935      6.888965
  H      -2.765113      1.238343      8.846594
  H      -1.538990     -0.047672      9.009663
  C      -3.602341      4.231412      7.422442
  C      -4.404759      5.318640      6.723117
  O      -5.342920      4.708467      5.782329
  C      -5.121144      4.867093      4.481198
  O      -4.232349      5.568423      3.999978
  C      -6.099468      4.083479      3.640066
  N      -6.557372      2.955651      4.161899
  C      -7.348092      2.185992      3.373704
  N      -7.708040      2.427143      2.127141
  C      -7.283899      3.606285      1.588805
  C      -7.675212      3.931251      0.266251
  C      -7.288192      5.129130     -0.292692
  C      -6.503465      6.046911      0.447125
  C      -6.090576      5.754553      1.730841
  C      -6.458275      4.520321      2.329813
  C      -0.690573      0.433525      3.789166
  C      -0.016994      0.817410      2.472857
  O      -0.942928      1.501770      1.572836
  C      -1.748657      0.676446      0.867498
  O      -1.732122     -0.537608      0.938428
  C      -2.689181      1.444261     -0.026468
  N      -3.189344      2.575041      0.461811
  C      -4.086959      3.252798     -0.303891
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  C      -4.409965      1.366082     -3.326424
  C      -3.901631      0.213085     -3.884158
  C      -2.965170     -0.580774     -3.177306
  C      -2.544177     -0.224831     -1.914129
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  C      -4.623286      0.075135      5.579336
  C      -5.858364      0.011559      6.467701
  O      -6.112825      1.318954      7.031494
  C      -7.372469      1.790540      6.942936
  O      -8.309971      1.198906      6.438312
  C      -7.488940      3.135368      7.617030
  N      -6.727744      3.317641      8.687978
  C      -6.818570      4.522850      9.307043
  N      -7.530497      5.564953      8.925987
  C      -8.311630      5.395911      7.818329
  C      -9.082099      6.490072      7.354137
  C      -9.888662      6.342315      6.246587
  C      -9.961809      5.100557      5.569848
  C      -9.222262      4.017500      5.995307
  C      -8.368716      4.141812      7.121642
  H      -3.270733      4.651601      8.388265
  H      -4.296469      3.410018      7.671698
  H      -3.763274      6.030252      6.189935
  H      -5.045045      5.845828      7.442489
  H      -7.717509      1.264773      3.833696
  H      -8.289797      3.211873     -0.275615
  H      -7.590906      5.379294     -1.310385
  H      -6.222186      6.998567     -0.006223
  H      -5.483140      6.464017      2.288917
  H      -1.714598      0.103386      3.566372
  H      -0.165261     -0.452659      4.188553
  H       0.360528     -0.076558      1.959589
  H       0.796329      1.536698      2.626723
  H      -4.491688      4.168339      0.135958
  H      -5.127665      1.996448     -3.852019
  H      -4.218735     -0.094235     -4.881843
  H      -2.574102     -1.487217     -3.641119
  H      -1.833895     -0.845481     -1.371697
  H      -4.835446      0.719224      4.714749
  H      -4.440156     -0.949255      5.200463
  H      -6.727034     -0.317500      5.882117
  H      -5.729625     -0.675653      7.316453
  H      -6.216845      4.635090     10.214327
  H      -9.017266      7.431034      7.901581
  H     -10.484709      7.184051      5.890238
  H     -10.615566      4.999552      4.702184
  H      -9.294322      3.060904      5.483860
  N      -3.201056      2.596402      3.951432
  N      -2.617406      3.510455      2.994449
  H      -3.027573      4.459028      3.146359
  H      -1.589942      3.567591      3.090152
  H      -2.831500      3.173857      1.996470
100
Coordinates from ORCA-job orca E -6707.597144808919
  N      -2.443143      3.743147      6.694775
  Mo     -2.439001      2.102704      5.568075
  N      -3.424047      0.582304      6.260559
  C      -2.881455     -0.257641      7.333599
  C      -2.063500      0.590329      8.293755
  N      -1.151235      1.485322      7.545736
  C      -0.836421      2.746379      8.267821
  C      -1.161458      3.945885      7.363777
  C       0.046310      0.800870      7.017409
  C       0.448885      1.477985      5.707576
  N      -0.711408      1.503052      4.807823
  H      -0.369331      4.081219      6.610398
  H      -1.172900      4.875294      7.960252
  H       0.216019      2.759326      8.595232
  H      -1.462388      2.792748      9.169277
  H       1.290145      0.938410      5.242796
  H       0.804123      2.500737      5.904518
  H      -0.219810     -0.245465      6.807717
  H       0.867651      0.803359      7.755787
  H      -3.691221     -0.735320      7.908570
  H      -2.279888     -1.078555      6.898806
  H      -2.754614      1.231786      8.856361
  H      -1.517789     -0.044346      9.015136
  C      -3.621199      4.221297      7.427786
  C      -4.423849      5.308108      6.728403
  O      -5.356212      4.698945      5.780897
  C      -5.123931      4.856686      4.481187
  O      -4.225456      5.550524      4.007197
  C      -6.113863      4.096989      3.631399
  N      -6.585144      2.967595      4.137855
  C      -7.385174      2.218272      3.339369
  N      -7.743306      2.481503      2.096749
  C      -7.307443      3.664055      1.575603
  C      -7.699326      4.014224      0.259613
  C      -7.303085      5.217693     -0.280640
  C      -6.507730      6.115808      0.471775
  C      -6.093286      5.798111      1.749035
  C      -6.470873      4.557736      2.328813
  C      -0.690928      0.442230      3.792600
  C      -0.019542      0.825847      2.473811
  O      -0.950540      1.499185      1.569885
  C      -1.745379      0.666270      0.860987
  O      -1.715057     -0.547449      0.932152
  C      -2.693487      1.422841     -0.035465
  N      -3.207467      2.548043      0.450792
  C      -4.113029      3.214532     -0.314905
  N      -4.528203      2.869592     -1.513652
  C      -4.003656      1.726579     -2.042870
  C      -4.412007      1.323509     -3.336545
  C      -3.891809      0.175193     -3.893017
  C      -2.947745     -0.608306     -3.184921
  C      -2.531138     -0.247138     -1.921779
  C      -3.051863      0.927457     -1.318990
  C      -4.616547      0.054872      5.597127
  C      -5.848562     -0.012151      6.489576
  O      -6.103363      1.294696      7.054663
  C      -7.362324      1.767610      6.964341
  O      -8.297032      1.182487      6.447032
  C      -7.476096      3.118197      7.627679
  N      -6.726501      3.302152      8.706464
  C      -6.817559      4.511335      9.317681
  N      -7.517062      5.556079      8.921176
  C      -8.286733      5.385065      7.805875
  C      -9.044874      6.481132      7.326225
  C      -9.840146      6.331431      6.210781
  C      -9.913679      5.085901      5.541065
  C      -9.185754      4.000919      5.981514
  C      -8.344105      4.126943      7.116512
  H      -3.293583      4.640349      8.395524
  H      -4.313348      3.397107      7.673039
  H      -3.781790      6.022937      6.200182
  H      -5.067977      5.831712      7.446934
  H      -7.763363      1.293794      3.785549
  H      -8.322527      3.309754     -0.291898
  H      -7.606477      5.487431     -1.293094
  H      -6.218601      7.072027      0.033245
  H      -5.477347      6.492342      2.316840
  H      -1.713068      0.105186      3.571574
  H      -0.160145     -0.440009      4.193732
  H       0.365580     -0.067043      1.964519
  H       0.788214      1.551946      2.625606
  H      -4.526446      4.126854      0.123421
  H      -5.135764      1.946177     -3.863033
  H      -4.205374     -0.136437     -4.890475
  H      -2.546951     -1.510923     -3.647920
  H      -1.814846     -0.860196     -1.378714
  H      -4.834733      0.696666      4.732397
  H      -4.429783     -0.969246      5.219286
  H      -6.718435     -0.342683      5.906648
  H      -5.715905     -0.699618      7.337515
  H      -6.222280      4.626740     10.228755
  H      -8.980006      7.425166      7.868356
  H     -10.426613      7.174707      5.842386
  H     -10.558311      4.983590      4.666764
  H      -9.257436      3.041739      5.474586
  N      -3.218261      2.584990      3.962359
  N      -2.644545      3.507096      3.008399
  H      -3.065322      4.450749      3.160712
  H      -1.617871      3.576000      3.105603
  H      -2.853916      3.168179      2.009432
100
Coordinates from ORCA-job orca E -6707.596941281789
  N      -2.395673      3.753545      6.701766
  Mo     -2.418768      2.114009      5.573932
  N      -3.416588      0.604238      6.271607
  C      -2.875123     -0.242090      7.340322
  C      -2.042948      0.596473      8.296426
  N      -1.125030      1.480902      7.542764
  C      -0.789749      2.737856      8.262560
  C      -1.106282      3.940874      7.360407
  C       0.060527      0.782415      7.005932
  C       0.462063      1.454878      5.693145
  N      -0.703945      1.493542      4.801192
  H      -0.318279      4.066273      6.601043
  H      -1.101844      4.870499      7.956653
  H       0.264999      2.737890      8.582756
  H      -1.408935      2.792242      9.168257
  H       1.293602      0.905388      5.222514
  H       0.830847      2.473323      5.887502
  H      -0.219465     -0.260638      6.797979
  H       0.886962      0.774934      7.738576
  H      -3.685694     -0.713588      7.919312
  H      -2.283615     -1.067616      6.900552
  H      -2.723581      1.245333      8.863302
  H      -1.500090     -0.044637      9.014262
  C      -3.560858      4.244156      7.446794
  C      -4.358865      5.340503      6.757204
  O      -5.307763      4.741957      5.819265
  C      -5.092717      4.904638      4.517387
  O      -4.192537      5.589700      4.033885
  C      -6.080715      4.130353      3.678559
  N      -6.546057      3.005116      4.199772
  C      -7.343866      2.242296      3.411808
  N      -7.704648      2.488432      2.166452
  C      -7.275011      3.666521      1.630165
  C      -7.668820      3.997902      0.309906
  C      -7.277492      5.195705     -0.246314
  C      -6.485408      6.106812      0.493877
  C      -6.069327      5.807580      1.775050
  C      -6.441764      4.573443      2.371106
  C      -0.702832      0.431675      3.786044
  C      -0.035014      0.803996      2.461590
  O      -0.962194      1.485306      1.558950
  C      -1.768762      0.660446      0.853846
  O      -1.752502     -0.553302      0.926990
  C      -2.711904      1.425466     -0.041554
  N      -3.212124      2.557451      0.443126
  C      -4.113591      3.231921     -0.320363
  N      -4.537279      2.888582     -1.516486
  C      -4.026984      1.738685     -2.044582
  C      -4.444788      1.337044     -3.335695
  C      -3.939024      0.182070     -3.891681
  C      -3.000341     -0.609640     -3.185686
  C      -2.574751     -0.250146     -1.925060
  C      -3.080820      0.930957     -1.322704
  C      -4.607892      0.078402      5.604298
  C      -5.843691      0.000443      6.491195
  O      -6.120807      1.303252      7.054958
  C      -7.385995      1.756339      6.948648
  O      -8.299171      1.164982      6.400955
  C      -7.532233      3.106145      7.607474
  N      -6.820814      3.296864      8.710587
  C      -6.948220      4.502780      9.321823
  N      -7.649446      5.538909      8.906193
  C      -8.381024      5.360608      7.766682
  C      -9.139750      6.447159      7.266775
  C      -9.896725      6.289980      6.126003
  C      -9.929810      5.046194      5.449892
  C      -9.200247      3.970391      5.909772
  C      -8.397664      4.104324      7.071776
  H      -3.218809      4.658201      8.411667
  H      -4.259488      3.427521      7.698310
  H      -3.715391      6.049490      6.222886
  H      -4.989862      5.869602      7.483287
  H      -7.715730      1.320625      3.869083
  H      -8.289273      3.283753     -0.232176
  H      -7.582333      5.450897     -1.262103
  H      -6.200108      7.058183      0.042499
  H      -5.455435      6.511430      2.333146
  H      -1.730344      0.106034      3.572971
  H      -0.179801     -0.456013      4.185277
  H       0.337054     -0.094842      1.953085
  H       0.782395      1.520476      2.607240
  H      -4.515001      4.150113      0.116992
  H      -5.164000      1.966164     -3.860738
  H      -4.259953     -0.128359     -4.887168
  H      -2.610830     -1.517446     -3.648186
  H      -1.862751     -0.869536     -1.383585
  H      -4.825437      0.722103      4.740841
  H      -4.416753     -0.943626      5.223034
  H      -6.706284     -0.340288      5.903298
  H      -5.708755     -0.685919      7.339684
  H      -6.381233      4.624848     10.249799
  H      -9.106170      7.389932      7.813919
  H     -10.483696      7.125829      5.741833
  H     -10.544154      4.937797      4.554772
  H      -9.240326      3.012412      5.396856
  N      -3.203780      2.606887      3.974357
  N      -2.624929      3.523643      3.018732
  H      -3.036162      4.471161      3.172973
  H      -1.597210      3.582097      3.110901
  H      -2.842359      3.187599      2.019883
100
Coordinates from ORCA-job orca E -6707.597149174042
  N      -2.430789      3.749957      6.689113
  Mo     -2.433600      2.107209      5.565483
  N      -3.421852      0.590190      6.261101
  C      -2.880473     -0.249249      7.335115
  C      -2.059872      0.598312      8.293282
  N      -1.145740      1.489212      7.542771
  C      -0.825861      2.750388      8.262338
  C      -1.147697      3.949296      7.356400
  C       0.048994      0.800005      7.014292
  C       0.452677      1.474111      5.703283
  N      -0.708272      1.501837      4.804426
  H      -0.355922      4.080489      6.601933
  H      -1.155279      4.879789      7.951236
  H       0.227003      2.760275      8.588490
  H      -1.450616      2.800523      9.164431
  H       1.291784      0.931183      5.238527
  H       0.811426      2.495939      5.898613
  H      -0.220901     -0.245676      6.806163
  H       0.870985      0.800639      7.751951
  H      -3.691030     -0.724102      7.911354
  H      -2.281086     -1.072257      6.901265
  H      -2.748861      1.242688      8.855156
  H      -1.515297     -0.036478      9.015412
  C      -3.606002      4.233697      7.423449
  C      -4.403701      5.326005      6.726607
  O      -5.344931      4.724693      5.782833
  C      -5.116739      4.880604      4.482192
  O      -4.210496      5.561722      4.004480
  C      -6.113112      4.124762      3.636673
  N      -6.603241      3.008637      4.154451
  C      -7.411823      2.262304      3.361809
  N      -7.761115      2.516221      2.114728
  C      -7.305288      3.685784      1.581454
  C      -7.685850      4.025821      0.259501
  C      -7.268642      5.216360     -0.293482
  C      -6.463021      6.111365      0.451711
  C      -6.059415      5.803065      1.734707
  C      -6.458500      4.575730      2.327618
  C      -0.691992      0.439530      3.790649
  C      -0.020053      0.819026      2.470927
  O      -0.949655      1.493249      1.566286
  C      -1.747244      0.661185      0.859457
  O      -1.719879     -0.552534      0.932431
  C      -2.694618      1.419079     -0.036582
  N      -3.203054      2.547384      0.448488
  C      -4.107316      3.216010     -0.316920
  N      -4.526594      2.869955     -1.513967
  C      -4.007815      1.723677     -2.041894
  C      -4.420406      1.319617     -3.333918
  C      -3.906050      0.168020     -3.889047
  C      -2.963668     -0.617789     -3.181267
  C      -2.542934     -0.255632     -1.919775
  C      -3.057644      0.922321     -1.318369
  C      -4.612579      0.060645      5.596197
  C      -5.844715     -0.014304      6.487927
  O      -6.108075      1.289363      7.056169
  C      -7.369947      1.754107      6.964256
  O      -8.299294      1.164413      6.442557
  C      -7.495548      3.100467      7.633857
  N      -6.754707      3.282652      8.718970
  C      -6.857654      4.487597      9.336678
  N      -7.561493      5.530060      8.941774
  C      -8.321764      5.361029      7.819710
  C      -9.083319      6.455169      7.341066
  C      -9.869168      6.307291      6.218708
  C      -9.929582      5.065506      5.540759
  C      -9.198083      3.982467      5.980078
  C      -8.365984      4.106844      7.122282
  H      -3.274592      4.650656      8.390798
  H      -4.302096      3.413117      7.669815
  H      -3.758466      6.036277      6.196124
  H      -5.041055      5.854373      7.447596
  H      -7.807162      1.349980      3.817886
  H      -8.317248      3.324250     -0.286346
  H      -7.563294      5.478331     -1.310554
  H      -6.157306      7.057649      0.002999
  H      -5.435372      6.494663      2.296888
  H      -1.715457      0.105903      3.570560
  H      -0.164227     -0.444087      4.192707
  H       0.362604     -0.075716      1.963036
  H       0.789601      1.543324      2.621109
  H      -4.516160      4.130981      0.120246
  H      -5.142738      1.944117     -3.860192
  H      -4.222971     -0.144452     -4.885180
  H      -2.567484     -1.522987     -3.643198
  H      -1.827897     -0.870389     -1.376969
  H      -4.832782      0.703359      4.732662
  H      -4.421841     -0.961988      5.216347
  H      -6.712302     -0.348308      5.903568
  H      -5.708954     -0.703114      7.334303
  H      -6.271191      4.600571     10.253772
  H      -9.028587      7.396237      7.889436
  H     -10.458272      7.149059      5.851076
  H     -10.566983      4.964498      4.661020
  H      -9.259721      3.026035      5.466719
  N      -3.211519      2.589361      3.959057
  N      -2.634600      3.507185      3.002940
  H      -3.051594      4.452888      3.153790
  H      -1.607595      3.572172      3.099716
  H      -2.845517      3.167808      2.004726
100
Coordinates from ORCA-job orca E -6707.597113789893
  N      -2.439973      3.744160      6.698729
  Mo     -2.441607      2.105275      5.569399
  N      -3.430274      0.585933      6.258992
  C      -2.890572     -0.256367      7.331718
  C      -2.069912      0.588352      8.292527
  N      -1.155049      1.481439      7.545247
  C      -0.835555      2.740379      8.269056
  C      -1.157435      3.942398      7.367237
  C       0.040063      0.794064      7.015242
  C       0.444752      1.472946      5.706931
  N      -0.715372      1.503478      4.807075
  H      -0.365358      4.076970      6.613692
  H      -1.166124      4.870692      7.965493
  H       0.217185      2.749418      8.595639
  H      -1.460644      2.787265      9.171088
  H       1.284414      0.931896      5.240989
  H       0.803029      2.494175      5.906182
  H      -0.229639     -0.250875      6.803184
  H       0.861471      0.792105      7.753550
  H      -3.701955     -0.731750      7.906303
  H      -2.291606     -1.078962      6.896511
  H      -2.758994      1.231348      8.855854
  H      -1.525993     -0.048627      9.013229
  C      -3.616056      4.222700      7.434835
  C      -4.418543      5.311491      6.738588
  O      -5.350697      4.702860      5.791053
  C      -5.120851      4.864779      4.491530
  O      -4.226579      5.564208      4.017726
  C      -6.098801      4.089123      3.642741
  N      -6.553459      2.954478      4.152542
  C      -7.345261      2.192860      3.357652
  N      -7.709320      2.448386      2.115146
  C      -7.290031      3.635297      1.590196
  C      -7.689892      3.977319      0.274465
  C      -7.312314      5.185391     -0.268878
  C      -6.528448      6.096342      0.480161
  C      -6.106403      5.786957      1.757011
  C      -6.464411      4.542187      2.339763
  C      -0.697835      0.443843      3.790192
  C      -0.022530      0.825636      2.472439
  O      -0.949743      1.500555      1.565566
  C      -1.743713      0.669569      0.853344
  O      -1.714670     -0.544220      0.923036
  C      -2.689869      1.427955     -0.043812
  N      -3.202078      2.553986      0.442305
  C      -4.106178      3.222233     -0.323480
  N      -4.521370      2.878434     -1.522540
  C      -3.998716      1.734585     -2.051777
  C      -4.407343      1.332680     -3.345722
  C      -3.889460      0.183309     -3.902177
  C      -2.947444     -0.602341     -3.193780
  C      -2.530544     -0.242328     -1.930400
  C      -3.048882      0.933321     -1.327611
  C      -4.621947      0.060767      5.592108
  C      -5.856216     -0.004221      6.481309
  O      -6.109346      1.303218      7.045662
  C      -7.367551      1.778255      6.955639
  O      -8.303947      1.194379      6.440009
  C      -7.478151      3.128818      7.619136
  N      -6.724764      3.312366      8.695333
  C      -6.813315      4.521611      9.306849
  N      -7.512751      5.567005      8.911780
  C      -8.285999      5.396257      7.798861
  C      -9.044823      6.492625      7.320953
  C      -9.845013      6.342363      6.209067
  C      -9.923510      5.095822      5.541713
  C      -9.195011      4.010584      5.980475
  C      -8.347641      4.137571      7.111050
  H      -3.286611      4.639235      8.403052
  H      -4.308932      3.398812      7.679321
  H      -3.776737      6.027016      6.210969
  H      -5.062362      5.833945      7.458145
  H      -7.712777      1.266198      3.808131
  H      -8.304377      3.263046     -0.274198
  H      -7.621919      5.448873     -1.281095
  H      -6.254328      7.055902      0.039299
  H      -5.499352      6.491051      2.322123
  H      -1.721033      0.111215      3.567411
  H      -0.171405     -0.441057      4.191184
  H       0.362034     -0.068225      1.964467
  H       0.786540      1.549908      2.625953
  H      -4.518170      4.135097      0.114937
  H      -5.129544      1.957019     -3.872366
  H      -4.203325     -0.127502     -4.899795
  H      -2.548437     -1.505774     -3.656741
  H      -1.815785     -0.857062     -1.387223
  H      -4.836873      0.703247      4.726958
  H      -4.436013     -0.963547      5.214367
  H      -6.725367     -0.332962      5.896277
  H      -5.726792     -0.691873      7.329579
  H      -6.216815      4.635998     10.217349
  H      -8.976667      7.437238      7.861669
  H     -10.432146      7.185812      5.842134
  H     -10.572610      4.992932      4.670778
  H      -9.271052      3.050532      5.476051
  N      -3.219098      2.592458      3.964426
  N      -2.642134      3.515492      3.013781
  H      -3.062369      4.459438      3.166518
  H      -1.615642      3.583236      3.113891
  H      -2.849101      3.178783      2.013537
100
Coordinates from ORCA-job orca E -6707.597173070009
  N      -2.429552      3.746685      6.694718
  Mo     -2.433053      2.105852      5.568397
  N      -3.422881      0.588811      6.261545
  C      -2.882212     -0.252674      7.334363
  C      -2.060883      0.592761      8.293867
  N      -1.145879      1.484099      7.544796
  C      -0.825202      2.744083      8.266205
  C      -1.146250      3.944575      7.362035
  C       0.048463      0.794824      7.015479
  C       0.452643      1.470316      5.705301
  N      -0.708289      1.500077      4.806494
  H      -0.354475      4.076473      6.607689
  H      -1.153327      4.874203      7.958237
  H       0.227587      2.752827      8.592635
  H      -1.450141      2.793341      9.168224
  H       1.291256      0.927263      5.239793
  H       0.812307      2.491579      5.901935
  H      -0.222039     -0.250432      6.806020
  H       0.870407      0.794039      7.753182
  H      -3.693086     -0.727920      7.909811
  H      -2.283383     -1.075410      6.899228
  H      -2.749393      1.236872      8.856638
  H      -1.516945     -0.043581      9.015107
  C      -3.604473      4.228675      7.430294
  C      -4.405149      5.318204      6.732908
  O      -5.342063      4.711704      5.788270
  C      -5.113748      4.869075      4.487883
  O      -4.215044      5.560586      4.010842
  C      -6.103309      4.104984      3.641760
  N      -6.573051      2.977263      4.153366
  C      -7.373429      2.224090      3.358891
  N      -7.732548      2.481582      2.115354
  C      -7.297933      3.662183      1.588732
  C      -7.690711      4.006156      0.271388
  C      -7.295773      5.207563     -0.274377
  C      -6.500843      6.109710      0.473675
  C      -6.085443      5.798013      1.752103
  C      -6.461656      4.559885      2.337509
  C      -0.692410      0.439623      3.790758
  C      -0.020474      0.821223      2.471654
  O      -0.949874      1.497235      1.568100
  C      -1.747860      0.666563      0.860144
  O      -1.721008     -0.547247      0.931284
  C      -2.695351      1.425801     -0.034611
  N      -3.204069      2.553106      0.452362
  C      -4.109743      3.221953     -0.311135
  N      -4.529910      2.877241     -1.508244
  C      -4.010696      1.732102     -2.038157
  C      -4.424415      1.329294     -3.330230
  C      -3.909820      0.178755     -3.887320
  C      -2.966173     -0.607296     -3.181492
  C      -2.544369     -0.246424     -1.919989
  C      -3.059281      0.930447     -1.316622
  C      -4.614243      0.061922      5.595506
  C      -5.848121     -0.008390      6.485247
  O      -6.109002      1.297006      7.050832
  C      -7.369715      1.764622      6.957106
  O      -8.298939      1.178388      6.431306
  C      -7.491985      3.114062      7.621261
  N      -6.751414      3.298494      8.706167
  C      -6.851812      4.506030      9.319241
  N      -7.551953      5.549060      8.919331
  C      -8.312399      5.377471      7.797791
  C      -9.070851      6.471657      7.314361
  C      -9.857328      6.320993      6.192810
  C      -9.921527      5.076330      5.520505
  C      -9.192919      3.993238      5.964445
  C      -8.360000      4.120473      7.105699
  H      -3.273415      4.646391      8.397438
  H      -4.298777      3.406734      7.676950
  H      -3.762129      6.030735      6.202756
  H      -5.045626      5.844174      7.452940
  H      -7.750907      1.301485      3.809548
  H      -8.313540      3.298708     -0.276717
  H      -7.599852      5.472533     -1.287886
  H      -6.212822      7.064246      0.030774
  H      -5.469739      6.495259      2.316456
  H      -1.715993      0.106599      3.570321
  H      -0.164749     -0.444759      4.191251
  H       0.361808     -0.072800      1.962206
  H       0.789479      1.544934      2.623081
  H      -4.519306      4.135652      0.127929
  H      -5.147759      1.953914     -3.854969
  H      -4.227565     -0.132697     -4.883510
  H      -2.569883     -1.511678     -3.644925
  H      -1.828410     -0.861374     -1.378625
  H      -4.831371      0.704492      4.731055
  H      -4.425873     -0.961515      5.216639
  H      -6.715655     -0.341060      5.900025
  H      -5.715626     -0.696112      7.333006
  H      -6.264103      4.621700     10.235172
  H      -9.013476      7.414975      7.858581
  H     -10.444146      7.162772      5.821565
  H     -10.559439      4.973175      4.641388
  H      -9.257478      3.034627      5.455501
  N      -3.211614      2.591023      3.963142
  N      -2.634754      3.510698      3.008731
  H      -3.052540      4.455859      3.160623
  H      -1.607864      3.576473      3.105888
  H      -2.845483      3.171985      2.010069
100
Coordinates from ORCA-job orca E -6707.597168213045
  N      -2.432718      3.748308      6.693273
  Mo     -2.434820      2.107681      5.566550
  N      -3.423499      0.589653      6.259209
  C      -2.882527     -0.251590      7.332053
  C      -2.061908      0.594240      8.291784
  N      -1.147538      1.486378      7.542961
  C      -0.827673      2.746356      8.264629
  C      -1.149528      3.946803      7.360712
  C       0.047259      0.798021      7.013536
  C       0.451366      1.474338      5.703736
  N      -0.709330      1.503557      4.804554
  H      -0.357805      4.079561      6.606490
  H      -1.157334      4.876224      7.957227
  H       0.225111      2.755684      8.591064
  H      -1.452630      2.795099      9.166669
  H       1.290496      0.932086      5.238230
  H       0.810232      2.495787      5.900799
  H      -0.222691     -0.247253      6.803451
  H       0.869031      0.797174      7.751442
  H      -3.693306     -0.727188      7.907393
  H      -2.283310     -1.074062      6.896975
  H      -2.750896      1.237719      8.854688
  H      -1.517575     -0.041895      9.012908
  C      -3.607832      4.228716      7.429999
  C      -4.408303      5.320801      6.736155
  O      -5.347292      4.718835      5.790462
  C      -5.119862      4.879805      4.490389
  O      -4.215994      5.565528      4.014704
  C      -6.109102      4.117178      3.642524
  N      -6.589655      2.995499      4.157348
  C      -7.390547      2.243620      3.362103
  N      -7.740559      2.497011      2.115114
  C      -7.294611      3.671761      1.584892
  C      -7.676060      4.010962      0.262993
  C      -7.268314      5.206079     -0.287176
  C      -6.471507      6.106603      0.460861
  C      -6.067239      5.799428      1.743922
  C      -6.456734      4.567667      2.333965
  C      -0.692617      0.442676      3.788923
  C      -0.020218      0.823327      2.469529
  O      -0.949259      1.497110      1.563704
  C      -1.745810      0.665024      0.855746
  O      -1.718008     -0.548653      0.928314
  C      -2.693479      1.422452     -0.040826
  N      -3.201592      2.551285      0.443323
  C      -4.106825      3.219076     -0.321622
  N      -4.527248      2.871947     -1.517930
  C      -4.009025      1.725109     -2.045050
  C      -4.423224      1.319718     -3.336166
  C      -3.909756      0.167427     -3.890652
  C      -2.966664     -0.617720     -3.183147
  C      -2.544232     -0.254250     -1.922595
  C      -3.058118      0.924305     -1.321797
  C      -4.614745      0.062081      5.593640
  C      -5.847544     -0.009689      6.484714
  O      -6.108636      1.295232      7.051123
  C      -7.369838      1.761893      6.959248
  O      -8.300999      1.171746      6.441347
  C      -7.492574      3.109500      7.626968
  N      -6.746366      3.293885      8.708021
  C      -6.845530      4.500364      9.323313
  N      -7.550493      5.542369      8.929232
  C      -8.316647      5.370999      7.811563
  C      -9.079856      6.464511      7.334104
  C      -9.871365      6.314491      6.216039
  C      -9.935863      5.071154      5.541341
  C      -9.202863      3.988678      5.979548
  C      -8.365051      4.115155      7.117337
  H      -3.276305      4.643823      8.398089
  H      -4.302363      3.406418      7.674966
  H      -3.765099      6.034364      6.207627
  H      -5.047559      5.845341      7.458323
  H      -7.777383      1.326253      3.815424
  H      -8.300393      3.304924     -0.285217
  H      -7.563616      5.467331     -1.304242
  H      -6.173170      7.056215      0.014224
  H      -5.449741      6.495216      2.308175
  H      -1.716009      0.109000      3.568575
  H      -0.164785     -0.441221      4.190230
  H       0.363571     -0.070980      1.961717
  H       0.789050      1.547842      2.620726
  H      -4.515257      4.134518      0.114979
  H      -5.146071      1.943757     -3.862280
  H      -4.227948     -0.146007     -4.886077
  H      -2.571177     -1.523533     -3.644479
  H      -1.828620     -0.868506     -1.380039
  H      -4.833161      0.704747      4.729628
  H      -4.425772     -0.961101      5.214381
  H      -6.715483     -0.342686      5.900290
  H      -5.713468     -0.697723      7.331989
  H      -6.253206      4.615776     10.236288
  H      -9.021693      7.406825      7.879975
  H     -10.461738      7.155754      5.849284
  H     -10.577582      4.968487      4.664939
  H      -9.267541      3.031104      5.468650
  N      -3.212679      2.593119      3.961121
  N      -2.635088      3.513305      3.007806
  H      -3.053792      4.458133      3.159345
  H      -1.608354      3.579440      3.106348
  H      -2.843695      3.175894      2.008170
100
Coordinates from ORCA-job orca E -6707.597176675094
  N      -2.431163      3.746726      6.694594
  Mo     -2.434140      2.105942      5.568127
  N      -3.423233      0.588303      6.261029
  C      -2.882367     -0.253009      7.333878
  C      -2.061353      0.592696      8.293400
  N      -1.146744      1.484453      7.544351
  C      -0.826440      2.744406      8.265940
  C      -1.147931      3.944911      7.361969
  C       0.047818      0.795687      7.014885
  C       0.451877      1.471735      5.704952
  N      -0.708987      1.501320      4.806021
  H      -0.356211      4.077237      6.607650
  H      -1.155349      4.874419      7.958353
  H       0.226369      2.753423      8.592291
  H      -1.451330      2.793333      9.168011
  H       1.290731      0.929126      5.239366
  H       0.811147      2.493073      5.901914
  H      -0.222391     -0.249568      6.805047
  H       0.869710      0.794874      7.752651
  H      -3.693157     -0.728431      7.909314
  H      -2.283322     -1.075605      6.898787
  H      -2.750091      1.236497      8.856245
  H      -1.517131     -0.043474      9.014579
  C      -3.606237      4.228020      7.430548
  C      -4.406695      5.318610      6.734501
  O      -5.344163      4.713901      5.789218
  C      -5.116157      4.872896      4.488975
  O      -4.215681      5.562505      4.012520
  C      -6.105168      4.108801      3.642239
  N      -6.578358      2.983193      4.155285
  C      -7.379006      2.230194      3.360914
  N      -7.735664      2.486220      2.116359
  C      -7.297599      3.664883      1.588229
  C      -7.687390      4.007234      0.269574
  C      -7.288634      5.206609     -0.277893
  C      -6.492834      6.108350      0.469731
  C      -6.080452      5.798235      1.749516
  C      -6.460527      4.562123      2.336654
  C      -0.692508      0.441060      3.789986
  C      -0.019998      0.822828      2.471106
  O      -0.949212      1.497934      1.566599
  C      -1.746251      0.666640      0.858303
  O      -1.718488     -0.547136      0.929604
  C      -2.694209      1.425035     -0.036820
  N      -3.203078      2.552570      0.449479
  C      -4.109088      3.220771     -0.314177
  N      -4.529484      2.875230     -1.510961
  C      -4.010224      1.729831     -2.040241
  C      -4.424215      1.326167     -3.331957
  C      -3.909606      0.175355     -3.888465
  C      -2.965586     -0.610041     -3.182429
  C      -2.543431     -0.248281     -1.921295
  C      -3.058446      0.928793     -1.318468
  C      -4.614497      0.061056      5.595164
  C      -5.848079     -0.009280      6.485253
  O      -6.108605      1.296227      7.050648
  C      -7.369267      1.764007      6.957208
  O      -8.299562      1.176276      6.434999
  C      -7.491128      3.113087      7.622126
  N      -6.748357      3.297661      8.705510
  C      -6.847667      4.505167      9.318799
  N      -7.549302      5.547885      8.920686
  C      -8.311968      5.376193      7.800673
  C      -9.071834      6.470192      7.319043
  C      -9.860251      6.319591      6.198852
  C      -9.925022      5.075165      5.526171
  C      -9.195175      3.992211      5.968431
  C      -8.360390      4.119339      7.108342
  H      -3.275122      4.644641      8.398143
  H      -4.300686      3.405927      7.676380
  H      -3.763533      6.031628      6.205178
  H      -5.046894      5.843895      7.455272
  H      -7.759769      1.309626      3.812914
  H      -8.310931      3.300174     -0.278219
  H      -7.590375      5.470306     -1.292432
  H      -6.201783      7.061314      0.025426
  H      -5.464020      6.495119      2.313525
  H      -1.715960      0.107906      3.569150
  H      -0.164917     -0.443302      4.190608
  H       0.363349     -0.071021      1.962165
  H       0.789372      1.547108      2.622930
  H      -4.518392      4.134920      0.124218
  H      -5.147795      1.950349     -3.856891
  H      -4.227598     -0.136776     -4.884364
  H      -2.569225     -1.514627     -3.645408
  H      -1.827117     -0.862707     -1.379819
  H      -4.831936      0.703445      4.730664
  H      -4.425979     -0.962423      5.216490
  H      -6.715800     -0.341944      5.900312
  H      -5.715294     -0.696903      7.333056
  H      -6.258529      4.620737     10.233836
  H      -9.013827      7.413348      7.863474
  H     -10.448094      7.161243      5.828940
  H     -10.564418      4.972060      4.648125
  H      -9.260132      3.033795      5.459158
  N      -3.212602      2.591147      3.962853
  N      -2.635785      3.511434      3.009140
  H      -3.054503      4.456209      3.160927
  H      -1.609030      3.578001      3.107150
  H      -2.845262      3.173200      2.010018
100
Coordinates from ORCA-job orca E -6707.597177140606
  N      -2.431987      3.747152      6.693746
  Mo     -2.434841      2.106328      5.567329
  N      -3.424458      0.588912      6.259985
  C      -2.883989     -0.252568      7.332898
  C      -2.063114      0.593005      8.292672
  N      -1.148178      1.484664      7.543895
  C      -0.827886      2.744593      8.265563
  C      -1.148924      3.945163      7.361487
  C       0.046451      0.795705      7.014821
  C       0.451048      1.471671      5.705024
  N      -0.709542      1.501479      4.805748
  H      -0.356969      4.077383      6.607395
  H      -1.156392      4.874664      7.957881
  H       0.224828      2.753445      8.592223
  H      -1.453033      2.793621      9.167450
  H       1.289930      0.928876      5.239708
  H       0.810474      2.492933      5.902098
  H      -0.223863     -0.249505      6.804894
  H       0.868102      0.794770      7.752856
  H      -3.695007     -0.727879      7.908109
  H      -2.284969     -1.075241      6.897917
  H      -2.751923      1.236893      8.855330
  H      -1.519173     -0.043241      9.013994
  C      -3.607201      4.228259      7.429629
  C      -4.408036      5.318496      6.733465
  O      -5.345508      4.713262      5.788508
  C      -5.117540      4.871716      4.488210
  O      -4.217393      5.561570      4.011490
  C      -6.106466      4.107242      3.641708
  N      -6.579619      2.981758      4.155065
  C      -7.379743      2.228198      3.360697
  N      -7.735788      2.483478      2.115811
  C      -7.297646      3.661923      1.587270
  C      -7.686585      4.003382      0.268134
  C      -7.287478      5.202394     -0.279878
  C      -6.492158      6.104642      0.467645
  C      -6.080621      5.795401      1.747911
  C      -6.461130      4.559715      2.335651
  C      -0.692809      0.441388      3.789539
  C      -0.019516      0.823169      2.471035
  O      -0.948195      1.498282      1.565966
  C      -1.744895      0.667005      0.857262
  O      -1.717150     -0.546781      0.928482
  C      -2.692534      1.425418     -0.038186
  N      -3.201525      2.552960      0.447969
  C      -4.107329      3.221186     -0.315916
  N      -4.527515      2.875589     -1.512749
  C      -4.008121      1.730192     -2.041899
  C      -4.421843      1.326506     -3.333693
  C      -3.907062      0.175730     -3.890107
  C      -2.963132     -0.609615     -3.183894
  C      -2.541253     -0.247846     -1.922669
  C      -3.056461      0.929187     -1.319923
  C      -4.616097      0.062320      5.594293
  C      -5.849300     -0.008177      6.484918
  O      -6.109069      1.296962      7.051545
  C      -7.369713      1.765084      6.959581
  O      -8.300392      1.178381      6.436895
  C      -7.490612      3.113964      7.625105
  N      -6.747114      3.297812      8.708110
  C      -6.845701      4.505059      9.322030
  N      -7.547211      5.548196      8.924802
  C      -8.310684      5.377229      7.805230
  C      -9.070572      6.471655      7.324610
  C      -9.859831      6.321762      6.204914
  C      -9.925456      5.077639      5.531756
  C      -9.195605      3.994287      5.973035
  C      -8.359939      4.120698      7.112378
  H      -3.276198      4.645083      8.397177
  H      -4.301430      3.406016      7.675568
  H      -3.765154      6.031553      6.203851
  H      -5.048270      5.843778      7.454207
  H      -7.760362      1.307676      3.812909
  H      -8.309708      3.295921     -0.279617
  H      -7.588540      5.465395     -1.294799
  H      -6.200792      7.057289      0.022869
  H      -5.464508      6.492646      2.311835
  H      -1.716239      0.108559      3.568128
  H      -0.165673     -0.443185      4.190298
  H       0.364156     -0.070656      1.962300
  H       0.789740      1.547470      2.623359
  H      -4.516756      4.135318      0.122404
  H      -5.145343      1.950661     -3.858769
  H      -4.224841     -0.136419     -4.886068
  H      -2.566619     -1.514165     -3.646811
  H      -1.825001     -0.862235     -1.381068
  H      -4.833717      0.705203      4.730201
  H      -4.428008     -0.961026      5.215047
  H      -6.717448     -0.340086      5.900180
  H      -5.716328     -0.696500      7.332123
  H      -6.255758      4.620107     10.236614
  H      -9.011921      7.414564      7.869402
  H     -10.447698      7.163741      5.835788
  H     -10.565527      4.975088      4.654138
  H      -9.261239      3.036101      5.463421
  N      -3.212568      2.591697      3.961730
  N      -2.635046      3.511768      3.008203
  H      -3.053636      4.456673      3.159643
  H      -1.608342      3.578207      3.106804
  H      -2.844026      3.173470      2.008986
