98
Coordinates from ORCA-job orca E -6706.317190585500
  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      -2.348215      2.760501      1.995501
  H      -1.393102      2.653584      1.636332
98
Coordinates from ORCA-job orca E -6706.369402574191
  N      -2.406985      3.254403      5.900588
  Mo     -2.655536      1.418593      5.100516
  N      -3.150092      0.368906      6.701658
  C      -2.170328      0.064615      7.733237
  C      -1.185350      1.215535      7.914620
  N      -0.556873      1.595747      6.643310
  C      -0.097433      2.982402      6.646668
  C      -1.085489      3.822609      5.798942
  C       0.461011      0.652895      6.180846
  C       0.135398      0.386570      4.700226
  N      -1.265722      0.066548      4.681250
  H      -0.755816      3.802091      4.751283
  H      -1.056798      4.866854      6.137004
  H       0.902547      3.064792      6.212142
  H      -0.060167      3.374782      7.670215
  H       0.760254     -0.418869      4.292520
  H       0.322216      1.303123      4.119241
  H       0.375233     -0.289935      6.730610
  H       1.476997      1.045253      6.309960
  H      -2.655059     -0.118241      8.703718
  H      -1.634026     -0.863376      7.458814
  H      -1.753334      2.076829      8.281748
  H      -0.422887      0.943973      8.661676
  C      -3.323664      4.071785      6.661071
  C      -3.674477      5.426047      5.983850
  O      -4.828888      5.327147      5.142512
  C      -4.652593      5.190869      3.810527
  O      -3.566181      5.284021      3.258671
  C      -5.940624      4.949584      3.119425
  N      -6.791374      4.115819      3.718730
  C      -7.962634      3.912667      3.101201
  N      -8.388357      4.457292      1.984239
  C      -7.546780      5.327604      1.363027
  C      -7.958710      5.954238      0.170484
  C      -7.113112      6.831981     -0.466983
  C      -5.838358      7.111770      0.059691
  C      -5.410284      6.516421      1.223310
  C      -6.251170      5.609000      1.900042
  C      -1.589528     -1.324123      4.498172
  C      -1.968312     -1.626702      3.019862
  O      -2.344484     -0.438161      2.326173
  C      -3.368080      0.301381      2.860270
  O      -4.017125     -0.138155      3.843508
  C      -3.920513      1.252960      1.878356
  N      -5.183509      1.590588      2.115235
  C      -5.769273      2.469960      1.290225
  N      -5.232563      3.062217      0.252876
  C      -3.945344      2.733906     -0.041670
  C      -3.351490      3.348341     -1.160194
  C      -2.064973      3.023532     -1.533136
  C      -1.337891      2.069061     -0.801749
  C      -1.883075      1.455210      0.306464
  C      -3.208126      1.777402      0.742171
  C      -4.330902     -0.454905      6.837731
  C      -5.332714      0.023930      7.908500
  O      -5.829125      1.338945      7.649963
  C      -6.789259      1.478678      6.713143
  O      -7.190633      0.553342      6.019152
  C      -7.313321      2.863560      6.693855
  N      -6.488631      3.792719      7.172883
  C      -6.954516      5.046272      7.235940
  N      -8.138038      5.477355      6.872627
  C      -9.007536      4.551601      6.392172
  C     -10.303157      4.959342      6.011138
  C     -11.211346      4.029920      5.562803
  C     -10.861495      2.669096      5.480428
  C      -9.601883      2.241855      5.833716
  C      -8.641863      3.170920      6.289294
  H      -2.888236      4.325298      7.644715
  H      -4.267170      3.539979      6.825763
  H      -2.840062      5.793123      5.374013
  H      -3.940695      6.170144      6.741442
  H      -8.632153      3.201353      3.584763
  H      -8.944487      5.721642     -0.213541
  H      -7.427840      7.316285     -1.384288
  H      -5.186478      7.805992     -0.458025
  H      -4.424176      6.720956      1.623340
  H      -2.452087     -1.576356      5.127219
  H      -0.743158     -1.968456      4.775002
  H      -2.792878     -2.350422      2.975149
  H      -1.113344     -1.998595      2.447819
  H      -6.802890      2.695646      1.518060
  H      -3.949564      4.067364     -1.709250
  H      -1.614000      3.494207     -2.399345
  H      -0.331053      1.813203     -1.111478
  H      -1.306424      0.718005      0.846123
  H      -4.864234     -0.473661      5.881969
  H      -4.063556     -1.491658      7.109901
  H      -6.172310     -0.682167      7.936165
  H      -4.870351      0.103999      8.896450
  H      -6.266320      5.785564      7.642554
  H     -10.550408      6.010659      6.095510
  H     -12.209373      4.340654      5.275980
  H     -11.593736      1.948755      5.134282
  H      -9.329296      1.195947      5.761685
  N      -2.431176      2.302735      3.192552
  N      -2.318011      2.797842      2.047294
  H      -1.351128      2.707529      1.683062
98
Coordinates from ORCA-job orca E -6706.406553518706
  N      -2.376456      3.262129      5.899389
  Mo     -2.638048      1.430204      5.105976
  N      -3.135138      0.374287      6.708915
  C      -2.147396      0.065838      7.735557
  C      -1.157602      1.213126      7.915464
  N      -0.528805      1.593196      6.640116
  C      -0.065216      2.981687      6.636982
  C      -1.053312      3.824600      5.789048
  C       0.484536      0.642528      6.173385
  C       0.149082      0.378459      4.697425
  N      -1.254242      0.062797      4.680163
  H      -0.726063      3.801121      4.738093
  H      -1.020122      4.872112      6.124298
  H       0.935986      3.057467      6.198583
  H      -0.021801      3.375521      7.662161
  H       0.767747     -0.432376      4.284902
  H       0.340335      1.295618      4.114121
  H       0.395784     -0.301172      6.725349
  H       1.505383      1.031368      6.301765
  H      -2.629507     -0.117845      8.709913
  H      -1.613612     -0.865205      7.458217
  H      -1.719877      2.078969      8.285545
  H      -0.391890      0.938171      8.661481
  C      -3.304141      4.068541      6.665085
  C      -3.672025      5.425384      6.013472
  O      -4.832012      5.332269      5.171472
  C      -4.647689      5.217580      3.839565
  O      -3.566957      5.312898      3.284181
  C      -5.945417      4.982258      3.142947
  N      -6.797859      4.154746      3.740842
  C      -7.977808      3.949851      3.119214
  N      -8.402041      4.497182      1.996174
  C      -7.549028      5.361820      1.376963
  C      -7.951842      5.986526      0.175411
  C      -7.095757      6.854923     -0.465631
  C      -5.816203      7.129717      0.065977
  C      -5.396568      6.539397      1.237828
  C      -6.250308      5.639643      1.918721
  C      -1.598539     -1.326425      4.497801
  C      -1.993319     -1.640960      3.027616
  O      -2.369072     -0.457192      2.318164
  C      -3.382341      0.293891      2.857287
  O      -4.018003     -0.116973      3.864940
  C      -3.945052      1.241272      1.873423
  N      -5.194524      1.589340      2.121795
  C      -5.783559      2.480288      1.294427
  N      -5.244045      3.069287      0.249528
  C      -3.959036      2.726582     -0.050227
  C      -3.366648      3.336440     -1.174646
  C      -2.084076      2.996772     -1.562445
  C      -1.361528      2.026899     -0.839138
  C      -1.901531      1.416764      0.278133
  C      -3.221574      1.762650      0.736024
  C      -4.326255     -0.444644      6.840705
  C      -5.325087      0.028355      7.913749
  O      -5.828082      1.351253      7.670341
  C      -6.794714      1.479829      6.735937
  O      -7.192866      0.553721      6.046813
  C      -7.334484      2.872385      6.702598
  N      -6.525705      3.817340      7.169273
  C      -7.003238      5.076222      7.207799
  N      -8.194181      5.491573      6.829749
  C      -9.048966      4.541267      6.360373
  C     -10.349520      4.927311      5.960413
  C     -11.244773      3.978456      5.518352
  C     -10.876826      2.616399      5.460146
  C      -9.612883      2.208863      5.831517
  C      -8.665446      3.159673      6.283097
  H      -2.869596      4.315214      7.653973
  H      -4.242119      3.522836      6.828114
  H      -2.840567      5.811861      5.409806
  H      -3.946641      6.153353      6.787755
  H      -8.651851      3.241227      3.608022
  H      -8.940901      5.757127     -0.213680
  H      -7.404464      7.336331     -1.391464
  H      -5.154708      7.817623     -0.456497
  H      -4.407433      6.739711      1.640305
  H      -2.459107     -1.569003      5.134393
  H      -0.753837     -1.976916      4.775228
  H      -2.824929     -2.361084      2.999817
  H      -1.145121     -2.028266      2.451768
  H      -6.819347      2.719937      1.531271
  H      -3.965521      4.066035     -1.717945
  H      -1.634545      3.464775     -2.436100
  H      -0.358541      1.754841     -1.162269
  H      -1.329746      0.666307      0.811088
  H      -4.859017     -0.456959      5.883922
  H      -4.062659     -1.486596      7.106718
  H      -6.166378     -0.678739      7.937036
  H      -4.860262      0.098879      8.903736
  H      -6.317414      5.830395      7.602386
  H     -10.610701      5.980911      6.024774
  H     -12.247292      4.274658      5.216356
  H     -11.599867      1.879434      5.117023
  H      -9.326518      1.162712      5.776929
  N      -2.374568      2.349025      3.253488
  N      -2.263328      2.837223      2.119005
  H      -1.292010      2.743130      1.747806
98
Coordinates from ORCA-job orca E -6706.433297811428
  N      -2.384557      3.263600      5.888265
  Mo     -2.629877      1.432070      5.101311
  N      -3.125640      0.364057      6.705684
  C      -2.133787      0.064624      7.731962
  C      -1.156039      1.221702      7.915405
  N      -0.523563      1.609054      6.641246
  C      -0.074805      3.004888      6.634248
  C      -1.067577      3.837349      5.779359
  C       0.499843      0.663390      6.177936
  C       0.168863      0.394081      4.704019
  N      -1.230970      0.064418      4.679806
  H      -0.734641      3.814884      4.729089
  H      -1.046606      4.887965      6.111131
  H       0.928978      3.086837      6.199845
  H      -0.037910      3.400371      7.660375
  H       0.794396     -0.414253      4.292970
  H       0.356924      1.312165      4.118011
  H       0.415888     -0.280444      6.732660
  H       1.518149      1.061772      6.312989
  H      -2.616064     -0.125176      8.706800
  H      -1.589288     -0.862099      7.456160
  H      -1.725785      2.084575      8.283701
  H      -0.389035      0.954443      8.664795
  C      -3.337822      4.045831      6.650165
  C      -3.727387      5.400935      6.017301
  O      -4.882641      5.306475      5.161134
  C      -4.679785      5.218520      3.830515
  O      -3.599017      5.325076      3.281902
  C      -5.979897      4.992695      3.115691
  N      -6.839745      4.166297      3.697909
  C      -8.018650      3.964877      3.060765
  N      -8.430333      4.522090      1.935168
  C      -7.562504      5.385189      1.331343
  C      -7.946218      6.014371      0.123222
  C      -7.075965      6.876707     -0.508166
  C      -5.798525      7.143166      0.039833
  C      -5.397549      6.551428      1.218377
  C      -6.267814      5.656083      1.889409
  C      -1.575146     -1.326708      4.500100
  C      -1.971775     -1.658053      3.036993
  O      -2.358257     -0.484675      2.308930
  C      -3.373584      0.266058      2.842764
  O      -3.997424     -0.120544      3.872110
  C      -3.949407      1.201161      1.854669
  N      -5.197506      1.544617      2.112376
  C      -5.794191      2.435287      1.284334
  N      -5.257080      3.028225      0.237584
  C      -3.968948      2.690312     -0.063117
  C      -3.382070      3.307428     -1.188364
  C      -2.099507      2.972153     -1.583565
  C      -1.374395      1.997464     -0.866937
  C      -1.908343      1.382918      0.253220
  C      -3.223362      1.729914      0.722535
  C      -4.316361     -0.461439      6.823865
  C      -5.318566     -0.012724      7.900334
  O      -5.831829      1.318972      7.694749
  C      -6.794152      1.471979      6.759109
  O      -7.184544      0.576685      6.029549
  C      -7.335538      2.873993      6.770927
  N      -6.538789      3.797977      7.288656
  C      -7.014037      5.061028      7.361057
  N      -8.197263      5.494276      6.971270
  C      -9.040308      4.559020      6.447502
  C     -10.330661      4.963312      6.026823
  C     -11.216005      4.034301      5.523878
  C     -10.847604      2.672585      5.422594
  C      -9.593817      2.247479      5.812523
  C      -8.656780      3.179125      6.328569
  H      -2.917083      4.290179      7.647672
  H      -4.264957      3.476231      6.803127
  H      -2.896485      5.814418      5.429914
  H      -4.023959      6.108953      6.803527
  H      -8.700566      3.255974      3.542914
  H      -8.933322      5.790313     -0.279720
  H      -7.370418      7.359854     -1.440266
  H      -5.124663      7.826917     -0.476648
  H      -4.410318      6.744871      1.632450
  H      -2.433236     -1.570481      5.140240
  H      -0.725971     -1.971583      4.783970
  H      -2.799641     -2.384912      3.019813
  H      -1.122269     -2.049022      2.463414
  H      -6.833023      2.673270      1.525138
  H      -3.987547      4.039520     -1.725737
  H      -1.653292      3.444817     -2.459112
  H      -0.371426      1.724108     -1.196691
  H      -1.335428      0.627849      0.781398
  H      -4.841578     -0.464103      5.862690
  H      -4.051391     -1.507841      7.077141
  H      -6.156170     -0.725722      7.906826
  H      -4.856689      0.038510      8.894207
  H      -6.331692      5.798394      7.795638
  H     -10.591804      6.016666      6.123390
  H     -12.210934      4.345951      5.205039
  H     -11.563011      1.950088      5.029684
  H      -9.306984      1.202599      5.723480
  N      -2.329673      2.378971      3.312897
  N      -2.218890      2.867877      2.193933
  H      -1.244126      2.783153      1.817683
98
Coordinates from ORCA-job orca E -6706.451891173713
  N      -2.332241      3.277115      5.886866
  Mo     -2.612108      1.450477      5.107267
  N      -3.110216      0.386383      6.724389
  C      -2.109797      0.083293      7.740199
  C      -1.116728      1.227808      7.909050
  N      -0.486897      1.601521      6.627708
  C      -0.022786      2.993523      6.609377
  C      -1.012524      3.836102      5.761242
  C       0.518768      0.637493      6.156706
  C       0.168974      0.364648      4.688280
  N      -1.233631      0.050568      4.675706
  H      -0.688811      3.809432      4.707952
  H      -0.977414      4.888170      6.090347
  H       0.979724      3.059617      6.167707
  H       0.028167      3.389999      7.635181
  H       0.779052     -0.455304      4.274463
  H       0.366744      1.276675      4.094208
  H       0.425641     -0.302230      6.717974
  H       1.543717      1.023417      6.285104
  H      -2.584030     -0.097218      8.721845
  H      -1.577119     -0.851466      7.465416
  H      -1.669340      2.102472      8.277038
  H      -0.346602      0.954847      8.654168
  C      -3.278271      4.053542      6.663964
  C      -3.672765      5.417177      6.064261
  O      -4.841135      5.339866      5.220060
  C      -4.646754      5.275785      3.888145
  O      -3.572697      5.378992      3.327894
  C      -5.961399      5.068142      3.182363
  N      -6.824637      4.255378      3.773904
  C      -8.012327      4.062198      3.145179
  N      -8.426527      4.620199      2.020705
  C      -7.550173      5.468135      1.406352
  C      -7.932850      6.090891      0.193353
  C      -7.054583      6.932988     -0.453754
  C      -5.768568      7.186618      0.083125
  C      -5.368811      6.603263      1.266386
  C      -6.248670      5.727683      1.953123
  C      -1.608570     -1.334582      4.509233
  C      -2.034229     -1.676040      3.059611
  O      -2.417207     -0.506969      2.316109
  C      -3.409991      0.267734      2.853246
  O      -4.014286     -0.074383      3.914742
  C      -3.988422      1.203228      1.867284
  N      -5.226924      1.577131      2.152867
  C      -5.817284      2.478879      1.332899
  N      -5.284524      3.060385      0.276002
  C      -4.007370      2.694342     -0.044962
  C      -3.425844      3.302188     -1.179520
  C      -2.158725      2.938196     -1.598205
  C      -1.447203      1.943141     -0.896862
  C      -1.976698      1.340778      0.233234
  C      -3.267997      1.720580      0.728248
  C      -4.307965     -0.428733      6.858860
  C      -5.298606      0.032275      7.936175
  O      -5.819974      1.361753      7.710185
  C      -6.793341      1.460132      6.778624
  O      -7.181428      0.527813      6.097744
  C      -7.356296      2.859814      6.716353
  N      -6.575467      3.827970      7.169878
  C      -7.070535      5.088241      7.154610
  N      -8.260875      5.475965      6.738154
  C      -9.087757      4.491582      6.279778
  C     -10.383656      4.846838      5.830315
  C     -11.253113      3.873349      5.386956
  C     -10.862284      2.513279      5.375394
  C      -9.602918      2.134562      5.794963
  C      -8.682253      3.113482      6.252927
  H      -2.847757      4.281719      7.662498
  H      -4.202237      3.480035      6.823830
  H      -2.847765      5.844344      5.477830
  H      -3.961430      6.107321      6.869668
  H      -8.698113      3.365204      3.638754
  H      -8.926201      5.875487     -0.201734
  H      -7.348252      7.409474     -1.390747
  H      -5.087630      7.854453     -0.446897
  H      -4.375111      6.786114      1.671118
  H      -2.459072     -1.560159      5.166455
  H      -0.765505     -1.991313      4.789085
  H      -2.872933     -2.391623      3.064800
  H      -1.200407     -2.088983      2.477443
  H      -6.847608      2.743160      1.592174
  H      -4.024562      4.050768     -1.703437
  H      -1.715887      3.402459     -2.481243
  H      -0.457020      1.642966     -1.245186
  H      -1.414821      0.568806      0.750312
  H      -4.840276     -0.441527      5.901692
  H      -4.044520     -1.474891      7.119917
  H      -6.137115     -0.680028      7.960318
  H      -4.829768      0.096808      8.926681
  H      -6.396393      5.864269      7.532890
  H     -10.661184      5.901199      5.856004
  H     -12.252235      4.148551      5.045039
  H     -11.565093      1.754785      5.027307
  H      -9.298747      1.090395      5.773385
  N      -2.280307      2.403442      3.377497
  N      -2.169607      2.896427      2.269335
  H      -1.201825      2.797165      1.872499
98
Coordinates from ORCA-job orca E -6706.464613183263
  N      -2.377898      3.276136      5.860645
  Mo     -2.612752      1.451896      5.065983
  N      -3.133514      0.367169      6.675740
  C      -2.145113      0.074868      7.704351
  C      -1.174939      1.234412      7.897503
  N      -0.521308      1.625883      6.632958
  C      -0.083187      3.028124      6.628989
  C      -1.068729      3.860495      5.764681
  C       0.507653      0.677151      6.178028
  C       0.192578      0.400858      4.702681
  N      -1.202111      0.062262      4.657718
  H      -0.720590      3.848136      4.719178
  H      -1.060638      4.911634      6.100249
  H       0.928864      3.111648      6.211934
  H      -0.061248      3.417636      7.658763
  H       0.823714     -0.409770      4.300654
  H       0.392062      1.315649      4.112540
  H       0.414867     -0.264774      6.736034
  H       1.523044      1.078792      6.334191
  H      -2.632555     -0.116966      8.678133
  H      -1.592762     -0.851509      7.437738
  H      -1.746656      2.100495      8.256961
  H      -0.415950      0.971487      8.657992
  C      -3.366501      4.009983      6.625031
  C      -3.790304      5.369118      6.043228
  O      -4.938273      5.267343      5.169344
  C      -4.714934      5.235160      3.841338
  O      -3.635197      5.377265      3.301141
  C      -6.015938      5.003714      3.107349
  N      -6.871977      4.171230      3.679736
  C      -8.043170      3.949855      3.027556
  N      -8.447534      4.500464      1.896917
  C      -7.576284      5.366455      1.299901
  C      -7.947071      5.976062      0.076149
  C      -7.073307      6.831555     -0.558526
  C      -5.803221      7.113406      0.002328
  C      -5.416075      6.545503      1.197111
  C      -6.292185      5.655947      1.871147
  C      -1.560770     -1.325890      4.486377
  C      -1.960355     -1.677514      3.034942
  O      -2.350657     -0.518586      2.273640
  C      -3.358814      0.247763      2.785503
  O      -3.964971     -0.071438      3.858300
  C      -3.932827      1.171551      1.788278
  N      -5.183386      1.538321      2.058927
  C      -5.763696      2.433078      1.228718
  N      -5.218208      3.023951      0.182427
  C      -3.931359      2.671016     -0.114247
  C      -3.332575      3.290068     -1.234822
  C      -2.055873      2.937056     -1.630742
  C      -1.353603      1.942451     -0.921059
  C      -1.902389      1.333786      0.196594
  C      -3.197786      1.704030      0.668383
  C      -4.324918     -0.459905      6.783429
  C      -5.316115     -0.040709      7.875497
  O      -5.843410      1.301859      7.729578
  C      -6.817183      1.478091      6.811354
  O      -7.212084      0.615698      6.047642
  C      -7.364587      2.888092      6.880414
  N      -6.579286      3.791003      7.444027
  C      -7.053619      5.055966      7.546972
  N      -8.229115      5.504163      7.152763
  C      -9.060710      4.585220      6.579720
  C     -10.339146      5.010623      6.141015
  C     -11.213128      4.107185      5.575939
  C     -10.843222      2.749330      5.427455
  C      -9.601176      2.304444      5.833567
  C      -8.676912      3.210531      6.417212
  H      -2.969655      4.231380      7.640221
  H      -4.274032      3.402709      6.756235
  H      -2.966736      5.838869      5.488097
  H      -4.123756      6.030005      6.855928
  H      -8.721191      3.235950      3.508968
  H      -8.927698      5.737533     -0.338047
  H      -7.357369      7.296296     -1.504764
  H      -5.124967      7.791323     -0.519032
  H      -4.433919      6.749639      1.619711
  H      -2.415639     -1.562942      5.134224
  H      -0.713939     -1.972124      4.782548
  H      -2.788229     -2.406057      3.029770
  H      -1.112745     -2.082568      2.466956
  H      -6.801644      2.687121      1.466616
  H      -3.926633      4.037837     -1.765310
  H      -1.598582      3.408660     -2.502951
  H      -0.355319      1.647245     -1.251352
  H      -1.346943      0.562021      0.721852
  H      -4.847473     -0.453566      5.820944
  H      -4.059586     -1.512383      7.019497
  H      -6.152309     -0.756043      7.874794
  H      -4.844131     -0.018340      8.866619
  H      -6.372527      5.777440      8.011132
  H     -10.598886      6.062161      6.271152
  H     -12.198432      4.436763      5.240992
  H     -11.548584      2.045641      4.981933
  H      -9.313210      1.263465      5.705119
  N      -2.229752      2.424724      3.408262
  N      -2.094580      2.937880      2.315264
  H      -1.121265      2.851306      1.928812
98
Coordinates from ORCA-job orca E -6706.474830328246
  N      -2.349902      3.288619      5.856973
  Mo     -2.596901      1.465190      5.060886
  N      -3.116246      0.387009      6.688896
  C      -2.119439      0.105092      7.710287
  C      -1.143896      1.261652      7.884125
  N      -0.492820      1.640004      6.613489
  C      -0.052984      3.042147      6.599965
  C      -1.045349      3.876291      5.746285
  C       0.525860      0.681961      6.153783
  C       0.198320      0.391466      4.682638
  N      -1.195615      0.055458      4.649521
  H      -0.706364      3.868553      4.698304
  H      -1.035777      4.926933      6.083628
  H       0.957464      3.121326      6.178091
  H      -0.022599      3.431259      7.629622
  H       0.823860     -0.426140      4.285386
  H       0.400774      1.297524      4.080154
  H       0.430478     -0.253867      6.721323
  H       1.543493      1.079812      6.303703
  H      -2.596198     -0.076462      8.691585
  H      -1.570389     -0.825800      7.451129
  H      -1.706863      2.135650      8.237812
  H      -0.381780      1.003873      8.643297
  C      -3.332806      4.001192      6.645379
  C      -3.765352      5.369204      6.096465
  O      -4.921549      5.280262      5.229888
  C      -4.704116      5.277809      3.900698
  O      -3.624793      5.424676      3.360455
  C      -6.010425      5.076521      3.163206
  N      -6.885430      4.260733      3.731324
  C      -8.056358      4.060889      3.072606
  N      -8.444671      4.620356      1.941513
  C      -7.552144      5.465574      1.346222
  C      -7.901912      6.073651      0.115708
  C      -7.004353      6.901345     -0.522003
  C      -5.731171      7.157051      0.043458
  C      -5.365167      6.592347      1.246220
  C      -6.265840      5.730352      1.923009
  C      -1.569467     -1.330202      4.503987
  C      -1.996932     -1.698640      3.066598
  O      -2.395397     -0.550592      2.287943
  C      -3.385529      0.235619      2.794189
  O      -3.962577     -0.032086      3.900853
  C      -3.966719      1.152243      1.797451
  N      -5.207469      1.545414      2.099214
  C      -5.790207      2.440060      1.276896
  N      -5.261776      3.019853      0.213647
  C      -3.987098      2.647029     -0.108830
  C      -3.399375      3.255031     -1.241898
  C      -2.136995      2.879954     -1.660762
  C      -1.437772      1.875739     -0.961924
  C      -1.976181      1.281746      0.168403
  C      -3.251967      1.674031      0.660900
  C      -4.304416     -0.440751      6.811506
  C      -5.292944     -0.020570      7.903202
  O      -5.842265      1.313026      7.743018
  C      -6.822902      1.452491      6.827430
  O      -7.210119      0.565586      6.088110
  C      -7.388856      2.858234      6.857881
  N      -6.618722      3.789079      7.397010
  C      -7.108126      5.051954      7.445806
  N      -8.283345      5.471869      7.023410
  C      -9.098499      4.524067      6.474573
  C     -10.374127      4.921429      6.003273
  C     -11.230209      3.991017      5.455636
  C     -10.843879      2.633401      5.358332
  C      -9.604139      2.215494      5.797693
  C      -8.698436      3.149517      6.365650
  H      -2.928390      4.202819      7.662467
  H      -4.233581      3.385128      6.781206
  H      -2.948875      5.857494      5.547013
  H      -4.094714      6.008991      6.926258
  H      -8.750389      3.362416      3.552820
  H      -8.884906      5.853418     -0.302481
  H      -7.271133      7.362781     -1.474606
  H      -5.033607      7.812298     -0.480970
  H      -4.380409      6.775434      1.671855
  H      -2.411187     -1.554378      5.173733
  H      -0.723377     -1.980428      4.795428
  H      -2.827787     -2.423441      3.084122
  H      -1.162360     -2.117815      2.489879
  H      -6.818510      2.712136      1.536923
  H      -3.990172      4.012820     -1.761114
  H      -1.688343      3.342504     -2.542051
  H      -0.451324      1.562131     -1.309557
  H      -1.422881      0.504430      0.687521
  H      -4.829157     -0.450768      5.849974
  H      -4.034141     -1.490331      7.057896
  H      -6.120817     -0.745196      7.917126
  H      -4.817719      0.019985      8.892112
  H      -6.440134      5.798022      7.888011
  H     -10.645150      5.974147      6.092963
  H     -12.212798      4.299083      5.094025
  H     -11.534254      1.908068      4.924650
  H      -9.303459      1.174338      5.706888
  N      -2.199863      2.428379      3.441088
  N      -2.058214      2.953693      2.352622
  H      -1.097689      2.849242      1.945354
98
Coordinates from ORCA-job orca E -6706.482663092502
  N      -2.332663      3.303755      5.859015
  Mo     -2.588109      1.485607      5.044542
  N      -3.117557      0.411360      6.685931
  C      -2.116409      0.131434      7.701687
  C      -1.132403      1.280313      7.864575
  N      -0.478636      1.650092      6.592347
  C      -0.033827      3.050937      6.580350
  C      -1.031017      3.894289      5.742105
  C       0.528547      0.683346      6.126743
  C       0.193272      0.384852      4.657388
  N      -1.200610      0.055431      4.629792
  H      -0.699591      3.898877      4.692109
  H      -1.019094      4.941510      6.089422
  H       0.976191      3.127161      6.156819
  H       0.003342      3.432895      7.612520
  H       0.814041     -0.439336      4.265614
  H       0.402287      1.283659      4.046644
  H       0.426856     -0.248811      6.699258
  H       1.549145      1.073806      6.274423
  H      -2.585273     -0.042244      8.688636
  H      -1.573323     -0.805052      7.447702
  H      -1.685574      2.161726      8.214605
  H      -0.370757      1.021847      8.624131
  C      -3.308182      3.994196      6.674519
  C      -3.744469      5.372176      6.157786
  O      -4.902057      5.294725      5.292059
  C      -4.686239      5.318596      3.962738
  O      -3.605502      5.469659      3.425367
  C      -5.992413      5.129475      3.222973
  N      -6.879075      4.330715      3.797908
  C      -8.049679      4.136581      3.138393
  N      -8.427581      4.686121      1.999518
  C      -7.522889      5.510979      1.394782
  C      -7.861474      6.102253      0.153234
  C      -6.951228      6.906178     -0.496568
  C      -5.676879      7.154887      0.068484
  C      -5.321838      6.607305      1.282538
  C      -6.235295      5.769348      1.972232
  C      -1.591896     -1.326194      4.506125
  C      -2.044770     -1.702217      3.079263
  O      -2.444524     -0.559644      2.288902
  C      -3.413851      0.249003      2.787577
  O      -3.962130      0.032398      3.923437
  C      -3.992493      1.164448      1.791721
  N      -5.220218      1.594685      2.112948
  C      -5.794014      2.491852      1.291031
  N      -5.271687      3.052225      0.211741
  C      -4.011001      2.648581     -0.125878
  C      -3.420046      3.233458     -1.270389
  C      -2.171985      2.824464     -1.699114
  C      -1.487190      1.810249     -0.999486
  C      -2.028004      1.240412      0.141592
  C      -3.288235      1.665935      0.640559
  C      -4.303257     -0.414885      6.824647
  C      -5.275651      0.003877      7.929032
  O      -5.832803      1.333371      7.762660
  C      -6.826278      1.441165      6.858007
  O      -7.214134      0.528704      6.150319
  C      -7.408221      2.840166      6.850882
  N      -6.650036      3.796149      7.362990
  C      -7.152634      5.054908      7.362514
  N      -8.329455      5.447428      6.919871
  C      -9.132119      4.473877      6.399085
  C     -10.406958      4.843368      5.903877
  C     -11.248286      3.887581      5.377529
  C     -10.846686      2.532045      5.326330
  C      -9.607166      2.140910      5.790364
  C      -8.716853      3.101153      6.338666
  H      -2.899297      4.172570      7.695279
  H      -4.205759      3.372736      6.808541
  H      -2.931657      5.876860      5.618377
  H      -4.074521      5.992223      7.002006
  H      -8.752229      3.451582      3.624201
  H      -8.845743      5.886733     -0.264054
  H      -7.208595      7.353135     -1.458486
  H      -4.968923      7.790555     -0.465789
  H      -4.336017      6.784399      1.707311
  H      -2.421930     -1.537653      5.194672
  H      -0.750033     -1.985556      4.790628
  H      -2.880863     -2.420270      3.112341
  H      -1.223129     -2.134645      2.494091
  H      -6.812778      2.788659      1.561587
  H      -3.996279      4.001734     -1.789474
  H      -1.722259      3.269780     -2.588581
  H      -0.512417      1.470645     -1.354859
  H      -1.486004      0.456934      0.663742
  H      -4.841336     -0.434162      5.870601
  H      -4.027796     -1.463782      7.071369
  H      -6.101631     -0.722372      7.961277
  H      -4.786844      0.050963      8.910962
  H      -6.494921      5.823768      7.780076
  H     -10.688224      5.895756      5.956546
  H     -12.229639      4.174068      4.995816
  H     -11.524317      1.786503      4.907346
  H      -9.294701      1.101048      5.733081
  N      -2.168887      2.444073      3.451403
  N      -2.007262      2.987343      2.372200
  H      -1.058214      2.854207      1.954051
98
Coordinates from ORCA-job orca E -6706.488980962882
  N      -2.341196      3.313028      5.854939
  Mo     -2.579064      1.498084      5.018536
  N      -3.120340      0.426671      6.669977
  C      -2.117956      0.154685      7.685691
  C      -1.135216      1.304114      7.842770
  N      -0.476197      1.671386      6.572058
  C      -0.038416      3.075033      6.563724
  C      -1.046464      3.918476      5.738277
  C       0.530523      0.704908      6.107350
  C       0.198060      0.394003      4.638703
  N      -1.193221      0.060533      4.609453
  H      -0.719636      3.938934      4.687322
  H      -1.043057      4.961898      6.096622
  H       0.971524      3.158014      6.141185
  H      -0.000777      3.450400      7.598439
  H       0.823755     -0.431790      4.257562
  H       0.408298      1.286805      4.019961
  H       0.428235     -0.224127      6.685057
  H       1.550390      1.096439      6.256095
  H      -2.582035     -0.014435      8.675939
  H      -1.573108     -0.783558      7.439273
  H      -1.688503      2.187450      8.186888
  H      -0.375437      1.051482      8.606356
  C      -3.316860      3.972484      6.694682
  C      -3.768832      5.354980      6.206463
  O      -4.921076      5.275816      5.334325
  C      -4.697864      5.327688      4.006638
  O      -3.614001      5.500693      3.481479
  C      -5.996523      5.148858      3.252786
  N      -6.897734      4.360189      3.820329
  C      -8.061675      4.173237      3.148250
  N      -8.421120      4.720641      2.002318
  C      -7.500938      5.531327      1.402371
  C      -7.817711      6.112596      0.150530
  C      -6.889741      6.897223     -0.497812
  C      -5.619660      7.136789      0.080028
  C      -5.286241      6.600299      1.305230
  C      -6.217522      5.781375      1.993886
  C      -1.588796     -1.320701      4.509356
  C      -2.056714     -1.708650      3.090909
  O      -2.460404     -0.574363      2.287579
  C      -3.416515      0.251010      2.772527
  O      -3.940462      0.079984      3.931476
  C      -3.993890      1.159758      1.774074
  N      -5.211742      1.614184      2.108062
  C      -5.783673      2.507110      1.283462
  N      -5.268899      3.052418      0.190957
  C      -4.017579      2.630936     -0.156451
  C      -3.426210      3.199929     -1.309311
  C      -2.187099      2.771556     -1.743367
  C      -1.507314      1.755293     -1.040620
  C      -2.047045      1.202001      0.108743
  C      -3.300495      1.644598      0.609122
  C      -4.300370     -0.404486      6.813932
  C      -5.265280      0.004162      7.928787
  O      -5.832273      1.331389      7.772542
  C      -6.836643      1.435988      6.879295
  O      -7.226642      0.521042      6.175039
  C      -7.428694      2.829975      6.880405
  N      -6.679546      3.786189      7.406417
  C      -7.187633      5.042711      7.407947
  N      -8.362616      5.432362      6.958576
  C      -9.156156      4.459645      6.423376
  C     -10.426968      4.828626      5.917644
  C     -11.257318      3.874746      5.370802
  C     -10.847851      2.522173      5.309381
  C      -9.612187      2.131559      5.784439
  C      -8.733071      3.089302      6.355005
  H      -2.908753      4.131940      7.719694
  H      -4.206485      3.338575      6.821728
  H      -2.961712      5.882760      5.681040
  H      -4.110251      5.953152      7.061891
  H      -8.775410      3.495736      3.627628
  H      -8.799003      5.902899     -0.276396
  H      -7.129378      7.334740     -1.468534
  H      -4.896989      7.756372     -0.453318
  H      -4.303404      6.769922      1.739567
  H      -2.409143     -1.524799      5.211902
  H      -0.747608     -1.982559      4.790961
  H      -2.893087     -2.425610      3.135178
  H      -1.241465     -2.148150      2.502276
  H      -6.796487      2.817102      1.559604
  H      -3.994152      3.973386     -1.829790
  H      -1.738360      3.205744     -2.638804
  H      -0.538899      1.402636     -1.400162
  H      -1.508233      0.419953      0.635824
  H      -4.845963     -0.428321      5.864131
  H      -4.018153     -1.453516      7.055855
  H      -6.086967     -0.726348      7.969429
  H      -4.766814      0.049879      8.905801
  H      -6.537666      5.812737      7.834962
  H     -10.712864      5.879326      5.977078
  H     -12.234854      4.160808      4.979304
  H     -11.515768      1.778153      4.872620
  H      -9.294105      1.094179      5.718202
  N      -2.138456      2.454785      3.440718
  N      -1.952057      3.014779      2.372679
  H      -1.010846      2.854619      1.950527
98
Coordinates from ORCA-job orca E -6706.494258234189
  N      -2.357044      3.321423      5.852773
  Mo     -2.569349      1.510586      4.991976
  N      -3.122547      0.442256      6.651107
  C      -2.119027      0.176251      7.666789
  C      -1.137974      1.326466      7.819310
  N      -0.475834      1.693401      6.549533
  C      -0.046302      3.100388      6.545676
  C      -1.068812      3.942624      5.736174
  C       0.532045      0.728942      6.085837
  C       0.202517      0.406133      4.618128
  N      -1.186477      0.068487      4.586687
  H      -0.749497      3.979483      4.683722
  H      -1.074388      4.981799      6.106464
  H       0.961825      3.191917      6.120533
  H      -0.005048      3.468670      7.583018
  H       0.834162     -0.420094      4.247134
  H       0.411898      1.294188      3.992625
  H       0.431502     -0.197510      6.668346
  H       1.551152      1.122537      6.233652
  H      -2.578110      0.010114      8.660054
  H      -1.572648     -0.763302      7.425950
  H      -1.692504      2.209994      8.159771
  H      -0.379030      1.079247      8.585672
  C      -3.329818      3.951333      6.717526
  C      -3.796467      5.337750      6.256477
  O      -4.940701      5.258986      5.374427
  C      -4.707515      5.339353      4.049312
  O      -3.619016      5.528292      3.538565
  C      -5.996789      5.165046      3.279932
  N      -6.912864      4.389812      3.843529
  C      -8.070554      4.207594      3.160641
  N      -8.411682      4.747500      2.005207
  C      -7.476214      5.541433      1.406957
  C      -7.772650      6.109291      0.144046
  C      -6.828565      6.873869     -0.504916
  C      -5.562706      7.107074      0.084213
  C      -5.249028      6.584607      1.320743
  C      -6.196564      5.785403      2.010860
  C      -1.584701     -1.312775      4.509621
  C      -2.068756     -1.710012      3.098773
  O      -2.475242     -0.581837      2.286146
  C      -3.416573      0.260580      2.760617
  O      -3.917647      0.129476      3.938663
  C      -3.991681      1.164036      1.760888
  N      -5.198714      1.643377      2.103957
  C      -5.767649      2.531288      1.273648
  N      -5.258013      3.056938      0.167871
  C      -4.016103      2.615172     -0.186241
  C      -3.423297      3.163548     -1.348755
  C      -2.192975      2.714035     -1.785112
  C      -1.519337      1.698318     -1.074741
  C      -2.059053      1.164968      0.083666
  C      -3.306914      1.626159      0.582173
  C      -4.296832     -0.394971      6.795825
  C      -5.258012      0.001311      7.919021
  O      -5.837241      1.324651      7.774587
  C      -6.853513      1.428265      6.894467
  O      -7.247163      0.513230      6.191621
  C      -7.453208      2.817955      6.909618
  N      -6.711012      3.770652      7.452767
  C      -7.222507      5.025529      7.464659
  N      -8.396046      5.416690      7.012548
  C      -9.182608      4.448585      6.459733
  C     -10.450627      4.820863      5.949363
  C     -11.272816      3.872634      5.380746
  C     -10.857453      2.522851      5.302051
  C      -9.624681      2.129005      5.782283
  C      -8.753817      3.080401      6.375773
  H      -2.920629      4.092728      7.745263
  H      -4.212615      3.306799      6.836505
  H      -2.993519      5.886803      5.746842
  H      -4.150212      5.914498      7.121492
  H      -8.796057      3.540656      3.636973
  H      -8.751314      5.904029     -0.290933
  H      -7.052000      7.299592     -1.484707
  H      -4.826513      7.710176     -0.449542
  H      -4.269429      6.749262      1.763579
  H      -2.395383     -1.510224      5.225336
  H      -0.743737     -1.977225      4.786095
  H      -2.905901     -2.425151      3.153483
  H      -1.260146     -2.155583      2.505698
  H      -6.774671      2.855892      1.552951
  H      -3.982145      3.939859     -1.874643
  H      -1.744344      3.133555     -2.687612
  H      -0.556914      1.331655     -1.436144
  H      -1.524437      0.385533      0.619062
  H      -4.847554     -0.420764      5.848862
  H      -4.008427     -1.444355      7.031443
  H      -6.073660     -0.735547      7.964639
  H      -4.752114      0.046387      8.892154
  H      -6.578400      5.793260      7.904341
  H     -10.739989      5.869800      6.021564
  H     -12.247607      4.161316      4.984347
  H     -11.518027      1.783302      4.846906
  H      -9.302377      1.093959      5.702245
  N      -2.106886      2.468440      3.423218
  N      -1.892523      3.044396      2.367653
  H      -0.958408      2.852640      1.943621
98
Coordinates from ORCA-job orca E -6706.498635768587
  N      -2.382249      3.325907      5.851731
  Mo     -2.561091      1.516575      4.973400
  N      -3.116614      0.455418      6.642758
  C      -2.108251      0.198224      7.655283
  C      -1.131549      1.352363      7.797328
  N      -0.474675      1.718580      6.523799
  C      -0.057694      3.130286      6.518526
  C      -1.101607      3.965222      5.728549
  C       0.536967      0.758538      6.060917
  C       0.205709      0.418808      4.596743
  N      -1.180808      0.073728      4.569209
  H      -0.795756      4.015432      4.673121
  H      -1.116940      5.001051      6.107705
  H       0.944819      3.232410      6.082662
  H      -0.006143      3.494503      7.557064
  H       0.844144     -0.406523      4.234947
  H       0.407896      1.301989      3.962250
  H       0.445041     -0.163870      6.651573
  H       1.554607      1.158560      6.201007
  H      -2.558929      0.035326      8.653104
  H      -1.559359     -0.741563      7.418589
  H      -1.688973      2.234342      8.135870
  H      -0.368715      1.114193      8.562784
  C      -3.348403      3.929530      6.741922
  C      -3.830960      5.317539      6.304193
  O      -4.967323      5.238110      5.412497
  C      -4.722679      5.344532      4.090830
  O      -3.629993      5.551949      3.595859
  C      -6.004004      5.190207      3.304537
  N      -6.942633      4.434652      3.858513
  C      -8.095514      4.273639      3.163260
  N      -8.412433      4.816865      2.001980
  C      -7.453420      5.587886      1.411518
  C      -7.722880      6.153700      0.141583
  C      -6.754609      6.891945     -0.502093
  C      -5.490823      7.100868      0.100212
  C      -5.203029      6.581106      1.344205
  C      -6.175557      5.807859      2.029616
  C      -1.577693     -1.308901      4.520525
  C      -2.084278     -1.719441      3.120344
  O      -2.497597     -0.599232      2.298636
  C      -3.422678      0.260732      2.766548
  O      -3.900867      0.163599      3.960710
  C      -4.001036      1.158544      1.767242
  N      -5.196333      1.658142      2.124266
  C      -5.769851      2.539405      1.290949
  N      -5.272206      3.045950      0.170451
  C      -4.040113      2.587597     -0.196215
  C      -3.455545      3.118376     -1.371147
  C      -2.234919      2.653056     -1.817001
  C      -1.559795      1.640521     -1.102986
  C      -2.090297      1.123791      0.066897
  C      -3.331761      1.597294      0.571044
  C      -4.283832     -0.389434      6.791340
  C      -5.240861     -0.003924      7.921886
  O      -5.829774      1.315287      7.783336
  C      -6.852283      1.413877      6.909994
  O      -7.242946      0.496273      6.208495
  C      -7.461028      2.799222      6.929327
  N      -6.734277      3.751048      7.495338
  C      -7.252962      5.002675      7.510940
  N      -8.421281      5.391881      7.043030
  C      -9.191856      4.425430      6.466063
  C     -10.452938      4.796240      5.937521
  C     -11.258126      3.850446      5.341202
  C     -10.832070      2.504619      5.252440
  C      -9.606135      2.112101      5.751064
  C      -8.752703      3.060741      6.373717
  H      -2.933386      4.058159      7.769166
  H      -4.224235      3.275209      6.856859
  H      -3.032451      5.885572      5.808620
  H      -4.195679      5.875352      7.176908
  H      -8.839806      3.622041      3.631732
  H      -8.700765      5.966467     -0.303202
  H      -6.957027      7.314635     -1.487763
  H      -4.734581      7.682664     -0.429202
  H      -4.225243      6.727137      1.797190
  H      -2.375513     -1.499220      5.252509
  H      -0.733832     -1.972814      4.789047
  H      -2.921300     -2.433033      3.191652
  H      -1.284382     -2.171642      2.520578
  H      -6.770690      2.875131      1.578762
  H      -4.011762      3.895571     -1.898606
  H      -1.793232      3.059997     -2.728686
  H      -0.603756      1.264307     -1.471421
  H      -1.553632      0.349111      0.606925
  H      -4.841215     -0.417205      5.848263
  H      -3.988384     -1.438579      7.021003
  H      -6.050661     -0.746959      7.971633
  H      -4.729007      0.042909      8.891821
  H      -6.622151      5.769994      7.970011
  H     -10.749915      5.842499      6.017490
  H     -12.227008      4.138184      4.929838
  H     -11.478381      1.766964      4.774263
  H      -9.275431      1.080338      5.663262
  N      -2.084951      2.473672      3.407480
  N      -1.847249      3.060671      2.362361
  H      -0.922653      2.835018      1.933375
98
Coordinates from ORCA-job orca E -6706.502275121781
  N      -2.398576      3.332343      5.842999
  Mo     -2.544276      1.528970      4.940054
  N      -3.124025      0.475020      6.610228
  C      -2.120881      0.214484      7.626431
  C      -1.141705      1.365128      7.769923
  N      -0.479917      1.730438      6.498058
  C      -0.065819      3.144221      6.498498
  C      -1.119861      3.981565      5.724802
  C       0.534423      0.769726      6.042709
  C       0.211528      0.419180      4.578963
  N      -1.175163      0.076924      4.542376
  H      -0.820306      4.047012      4.668916
  H      -1.140184      5.012343      6.117134
  H       0.933522      3.251467      6.056598
  H      -0.006122      3.500238      7.539653
  H       0.853740     -0.408145      4.228239
  H       0.416927      1.298786      3.940693
  H       0.441799     -0.149212      6.638990
  H       1.551712      1.170318      6.183539
  H      -2.572931      0.054318      8.624275
  H      -1.574917     -0.728617      7.393968
  H      -1.698762      2.247762      8.106314
  H      -0.381512      1.127989      8.538345
  C      -3.358112      3.913407      6.755735
  C      -3.856549      5.303533      6.344810
  O      -4.983004      5.226853      5.440939
  C      -4.729403      5.366473      4.123958
  O      -3.635216      5.597385      3.642387
  C      -6.000546      5.194774      3.324566
  N      -6.942242      4.444987      3.881332
  C      -8.088494      4.268680      3.179791
  N      -8.396622      4.791112      2.006295
  C      -7.434268      5.554412      1.411488
  C      -7.694584      6.096103      0.128994
  C      -6.723059      6.824581     -0.520643
  C      -5.465045      7.048140      0.088385
  C      -5.186061      6.552601      1.344271
  C      -6.162056      5.789580      2.036938
  C      -1.580036     -1.303894      4.512738
  C      -2.101950     -1.718094      3.117677
  O      -2.505338     -0.599262      2.288206
  C      -3.410443      0.284020      2.746796
  O      -3.883344      0.211752      3.947519
  C      -3.973078      1.185916      1.744391
  N      -5.156695      1.714230      2.098829
  C      -5.715817      2.594615      1.254505
  N      -5.211030      3.077875      0.127045
  C      -3.987950      2.592884     -0.235119
  C      -3.392798      3.100738     -1.415024
  C      -2.179756      2.610083     -1.854096
  C      -1.521196      1.595714     -1.127215
  C      -2.062022      1.099782      0.046687
  C      -3.299238      1.595589      0.540702
  C      -4.291118     -0.370672      6.752675
  C      -5.244995      0.005976      7.889509
  O      -5.841498      1.322932      7.763491
  C      -6.881796      1.422011      6.911429
  O      -7.289206      0.503302      6.220838
  C      -7.497775      2.803995      6.955816
  N      -6.770240      3.750336      7.530348
  C      -7.294136      4.998779      7.573104
  N      -8.470666      5.389897      7.126871
  C      -9.242664      4.429477      6.542086
  C     -10.513417      4.802563      6.038365
  C     -11.320660      3.864024      5.433479
  C     -10.886683      2.523348      5.310552
  C      -9.651869      2.128595      5.785226
  C      -8.796256      3.069311      6.417286
  H      -2.938113      4.027574      7.782664
  H      -4.228277      3.250937      6.862644
  H      -3.062308      5.892805      5.867629
  H      -4.236450      5.837607      7.226040
  H      -8.834313      3.621176      3.651133
  H      -8.668321      5.897629     -0.320172
  H      -6.918276      7.227713     -1.515988
  H      -4.705299      7.621392     -0.445467
  H      -4.212724      6.709927      1.802584
  H      -2.372643     -1.483684      5.253079
  H      -0.739989     -1.974071      4.776880
  H      -2.945661     -2.422577      3.197159
  H      -1.309976     -2.181864      2.516280
  H      -6.711067      2.949717      1.537038
  H      -3.933867      3.881939     -1.952069
  H      -1.730021      3.000137     -2.769275
  H      -0.569877      1.201921     -1.489622
  H      -1.537299      0.324665      0.597969
  H      -4.850964     -0.393420      5.811168
  H      -3.996012     -1.421963      6.974410
  H      -6.051048     -0.741019      7.941251
  H      -4.726827      0.050292      8.856235
  H      -6.661432      5.761791      8.037185
  H     -10.815529      5.845175      6.143537
  H     -12.296635      4.153840      5.040592
  H     -11.533948      1.791494      4.824672
  H      -9.315890      1.101089      5.672141
  N      -2.031826      2.487259      3.385654
  N      -1.756100      3.083835      2.354289
  H      -0.839822      2.815932      1.930070
98
Coordinates from ORCA-job orca E -6706.505850280771
  N      -2.423482      3.328283      5.842353
  Mo     -2.528174      1.521447      4.931943
  N      -3.105963      0.488792      6.621585
  C      -2.093006      0.238091      7.629713
  C      -1.116432      1.392529      7.750528
  N      -0.471041      1.752195      6.467677
  C      -0.071342      3.171752      6.458889
  C      -1.153581      3.998214      5.710902
  C       0.549217      0.796017      6.015134
  C       0.219609      0.418702      4.558268
  N      -1.164586      0.066859      4.532599
  H      -0.873337      4.076265      4.650668
  H      -1.183573      5.026070      6.110536
  H       0.917099      3.289247      5.994939
  H       0.009573      3.525836      7.499723
  H       0.868311     -0.408005      4.217277
  H       0.412477      1.291530      3.906539
  H       0.472122     -0.115132      6.626456
  H       1.563737      1.208493      6.140686
  H      -2.531673      0.086637      8.635378
  H      -1.547886     -0.707205      7.401753
  H      -1.673616      2.274868      8.086267
  H      -0.345773      1.167523      8.512167
  C      -3.372879      3.885726      6.781234
  C      -3.886656      5.276998      6.392683
  O      -5.005337      5.205890      5.477889
  C      -4.741564      5.379523      4.164012
  O      -3.643028      5.626685      3.698674
  C      -6.007939      5.242071      3.346935
  N      -6.976874      4.514690      3.890166
  C      -8.121248      4.372598      3.178237
  N      -8.403595      4.908268      2.003646
  C      -7.413650      5.647350      1.421124
  C      -7.646606      6.198289      0.137524
  C      -6.648423      6.900567     -0.502132
  C      -5.390344      7.089197      0.119367
  C      -5.137505      6.585368      1.377066
  C      -6.140422      5.846361      2.059458
  C      -1.567849     -1.315504      4.536656
  C      -2.124733     -1.746715      3.156070
  O      -2.538977     -0.638237      2.315259
  C      -3.421573      0.265819      2.774077
  O      -3.871008      0.220728      3.988002
  C      -3.994296      1.163954      1.775465
  N      -5.166295      1.702382      2.154319
  C      -5.743667      2.573764      1.314485
  N      -5.264187      3.045328      0.170946
  C      -4.051628      2.553013     -0.215861
  C      -3.480614      3.053769     -1.410584
  C      -2.278723      2.558411     -1.873285
  C      -1.605543      1.548144     -1.154461
  C      -2.122186      1.058636      0.032612
  C      -3.350276      1.554417      0.546892
  C      -4.267334     -0.361299      6.778657
  C      -5.215106      0.013995      7.919913
  O      -5.821728      1.323692      7.783281
  C      -6.865397      1.401627      6.932998
  O      -7.259523      0.470931      6.250252
  C      -7.491928      2.778519      6.954971
  N      -6.789158      3.731933      7.551528
  C      -7.324965      4.975820      7.577681
  N      -8.492318      5.356661      7.095657
  C      -9.238774      4.389414      6.486557
  C     -10.498712      4.751725      5.944389
  C     -11.280083      3.807220      5.312297
  C     -10.829942      2.471048      5.199203
  C      -9.605480      2.086500      5.712119
  C      -8.776550      3.033296      6.374116
  H      -2.941422      3.991448      7.804075
  H      -4.235594      3.214257      6.889088
  H      -3.095804      5.885494      5.931623
  H      -4.277042      5.790784      7.282443
  H      -8.889792      3.742844      3.639141
  H      -8.621649      6.026521     -0.320535
  H      -6.822638      7.309691     -1.498464
  H      -4.609082      7.642453     -0.405636
  H      -4.165368      6.718193      1.845608
  H      -2.343198     -1.486521      5.299054
  H      -0.722247     -1.983556      4.787716
  H      -2.970080     -2.447302      3.262451
  H      -1.347112     -2.221525      2.543168
  H      -6.732033      2.931260      1.615561
  H      -4.030029      3.835206     -1.938616
  H      -1.847352      2.943824     -2.799188
  H      -0.661444      1.154028     -1.533668
  H      -1.584646      0.289865      0.579723
  H      -4.836823     -0.390957      5.843078
  H      -3.965947     -1.410891      7.000575
  H      -6.015000     -0.739009      7.981955
  H      -4.691567      0.070436      8.882778
  H      -6.713311      5.745055      8.061052
  H     -10.812982      5.791465      6.042297
  H     -12.247377      4.088934      4.889673
  H     -11.456046      1.734437      4.690547
  H      -9.256798      1.062589      5.607358
  N      -2.011183      2.476094      3.383212
  N      -1.717265      3.090076      2.365422
  H      -0.813974      2.785188      1.931812
98
Coordinates from ORCA-job orca E -6706.508206672037
  N      -2.440510      3.326407      5.830652
  Mo     -2.503544      1.524825      4.895845
  N      -3.117400      0.509860      6.590407
  C      -2.112992      0.250636      7.602409
  C      -1.130572      1.397486      7.722972
  N      -0.481080      1.753757      6.439788
  C      -0.082686      3.175169      6.438110
  C      -1.172658      4.005446      5.708783
  C       0.544623      0.795292      6.000688
  C       0.230029      0.403797      4.544767
  N      -1.154682      0.055948      4.504005
  H      -0.897317      4.100874      4.649588
  H      -1.206968      5.026824      6.124000
  H       0.900844      3.296663      5.965736
  H       0.010053      3.518975      7.481661
  H       0.883876     -0.424672      4.217558
  H       0.428409      1.272463      3.890040
  H       0.466056     -0.109827      6.620299
  H       1.557668      1.210167      6.129215
  H      -2.554293      0.106352      8.607409
  H      -1.574838     -0.700422      7.380051
  H      -1.685031      2.282214      8.056063
  H      -0.361930      1.172780      8.486059
  C      -3.381028      3.863801      6.787548
  C      -3.905664      5.252152      6.414928
  O      -5.015035      5.177429      5.489846
  C      -4.743832      5.372548      4.183407
  O      -3.646432      5.647366      3.728867
  C      -6.003203      5.225025      3.362161
  N      -6.968109      4.503313      3.908300
  C      -8.107446      4.350923      3.195965
  N      -8.388174      4.870688      2.016596
  C      -7.403418      5.603083      1.430883
  C      -7.637421      6.136264      0.142608
  C      -6.646811      6.831920     -0.501598
  C      -5.394754      7.031505      0.120159
  C      -5.139836      6.544647      1.381691
  C      -6.135458      5.812611      2.069551
  C      -1.567727     -1.321899      4.521110
  C      -2.138015     -1.749940      3.146894
  O      -2.540109     -0.641679      2.301353
  C      -3.400068      0.286656      2.751950
  O      -3.850064      0.259299      3.958738
  C      -3.953665      1.194878      1.752688
  N      -5.116148      1.754944      2.124353
  C      -5.683103      2.625033      1.275718
  N      -5.198628      3.079011      0.129768
  C      -3.992905      2.566446     -0.249393
  C      -3.412141      3.050937     -1.445675
  C      -2.215194      2.537949     -1.897624
  C      -1.555195      1.527197     -1.165593
  C      -2.082110      1.052197      0.020767
  C      -3.308017      1.561167      0.519567
  C      -4.284053     -0.333092      6.743539
  C      -5.225367      0.041316      7.890022
  O      -5.834445      1.350434      7.757381
  C      -6.900606      1.423305      6.931817
  O      -7.319354      0.486537      6.274067
  C      -7.532204      2.798720      6.963097
  N      -6.828123      3.750549      7.546958
  C      -7.366948      4.991855      7.587765
  N      -8.540462      5.371549      7.134275
  C      -9.288008      4.405874      6.539705
  C     -10.554487      4.766753      6.033157
  C     -11.336312      3.824835      5.417835
  C     -10.878873      2.492579      5.284651
  C      -9.648540      2.109525      5.762735
  C      -8.820363      3.053337      6.409277
  H      -2.943511      3.963147      7.808339
  H      -4.237841      3.185480      6.890710
  H      -3.118593      5.874941      5.969998
  H      -4.309007      5.748683      7.306602
  H      -8.872490      3.725510      3.659814
  H      -8.608406      5.956053     -0.314720
  H      -6.822127      7.226876     -1.501715
  H      -4.618644      7.579040     -0.407825
  H      -4.172463      6.686782      1.850561
  H      -2.338444     -1.482079      5.287104
  H      -0.727913     -1.999285      4.765545
  H      -2.990616     -2.436219      3.259498
  H      -1.369607     -2.238229      2.533806
  H      -6.667434      2.996517      1.571167
  H      -3.949446      3.834711     -1.983237
  H      -1.775918      2.911244     -2.823869
  H      -0.612858      1.121616     -1.534870
  H      -1.553612      0.284038      0.580043
  H      -4.856571     -0.356037      5.809903
  H      -3.988895     -1.386031      6.959336
  H      -6.023928     -0.711853      7.957161
  H      -4.695413      0.097845      8.849752
  H      -6.753139      5.760021      8.060722
  H     -10.872630      5.803895      6.145443
  H     -12.308349      4.105189      5.023467
  H     -11.504239      1.758117      4.788871
  H      -9.294699      1.088503      5.644560
  N      -1.938321      2.494473      3.369279
  N      -1.603264      3.144890      2.380066
  H      -0.709572      2.809554      1.951948
98
Coordinates from ORCA-job orca E -6706.511706827626
  N      -2.473023      3.324490      5.825110
  Mo     -2.492334      1.519017      4.888539
  N      -3.099845      0.525789      6.599994
  C      -2.083521      0.271836      7.601350
  C      -1.104840      1.422747      7.698311
  N      -0.481962      1.773196      6.399641
  C      -0.096432      3.200795      6.388976
  C      -1.213278      4.023218      5.691602
  C       0.552790      0.819446      5.963060
  C       0.230212      0.401939      4.516403
  N      -1.153755      0.045679      4.487335
  H      -0.957319      4.135257      4.629770
  H      -1.254329      5.039399      6.118188
  H       0.871387      3.332216      5.888048
  H       0.024798      3.539820      7.430990
  H       0.887832     -0.424757      4.194669
  H       0.415825      1.264901      3.850863
  H       0.492824     -0.075627      6.598764
  H       1.561489      1.249158      6.074297
  H      -2.510800      0.133448      8.613492
  H      -1.546421     -0.679710      7.378357
  H      -1.658380      2.306176      8.035188
  H      -0.320071      1.209483      8.447800
  C      -3.404703      3.839949      6.807447
  C      -3.953115      5.231038      6.462349
  O      -5.055185      5.159669      5.529153
  C      -4.773307      5.385552      4.229945
  O      -3.671487      5.668454      3.793629
  C      -6.026527      5.266821      3.389804
  N      -7.018967      4.567032      3.920779
  C      -8.149148      4.437354      3.185954
  N      -8.395320      4.957019      1.995211
  C      -7.382065      5.667168      1.423443
  C      -7.577801      6.197321      0.120646
  C      -6.557069      6.868258     -0.512304
  C      -5.313566      7.048740      0.137360
  C      -5.096578      6.565734      1.414295
  C      -6.122060      5.855073      2.089333
  C      -1.566983     -1.330818      4.523980
  C      -2.173508     -1.766224      3.163478
  O      -2.586266     -0.664951      2.312049
  C      -3.423485      0.276660      2.773226
  O      -3.866784      0.246485      3.977493
  C      -3.981070      1.191479      1.775889
  N      -5.135338      1.761275      2.156569
  C      -5.709626      2.625989      1.305439
  N      -5.237492      3.063694      0.148169
  C      -4.039242      2.539229     -0.240388
  C      -3.467991      3.007693     -1.449368
  C      -2.277930      2.483199     -1.908752
  C      -1.615085      1.478859     -1.170575
  C      -2.133647      1.019802      0.026825
  C      -3.353310      1.536028      0.529204
  C      -4.260189     -0.323951      6.770086
  C      -5.191364      0.041242      7.930722
  O      -5.811103      1.349486      7.803463
  C      -6.877939      1.412447      6.979429
  O      -7.282619      0.470777      6.317168
  C      -7.521751      2.784558      7.005437
  N      -6.848079      3.739907      7.630633
  C      -7.401589      4.974491      7.666883
  N      -8.563991      5.344291      7.173196
  C      -9.279968      4.374800      6.533163
  C     -10.532380      4.724842      5.974988
  C     -11.280115      3.779022      5.302855
  C     -10.802393      2.453234      5.165669
  C      -9.586530      2.080348      5.697332
  C      -8.792810      3.028907      6.400457
  H      -2.952807      3.934567      7.822742
  H      -4.250857      3.147179      6.914469
  H      -3.173240      5.878648      6.033448
  H      -4.372078      5.702645      7.364532
  H      -8.937592      3.830575      3.638231
  H      -8.543965      6.032941     -0.357396
  H      -6.702095      7.258971     -1.524720
  H      -4.512820      7.577755     -0.380985
  H      -4.136541      6.696116      1.905530
  H      -2.321319     -1.485902      5.307612
  H      -0.722093     -2.007109      4.750725
  H      -3.028268     -2.444374      3.302488
  H      -1.422230     -2.264937      2.539059
  H      -6.688571      3.006412      1.611813
  H      -4.006580      3.787935     -1.989490
  H      -1.845388      2.843299     -2.844385
  H      -0.676601      1.065540     -1.544208
  H      -1.602998      0.256653      0.592573
  H      -4.846804     -0.348008      5.845000
  H      -3.954898     -1.376576      6.978868
  H      -5.984242     -0.717757      8.004281
  H      -4.652309      0.099055      8.886496
  H      -6.810581      5.745424      8.171179
  H     -10.866288      5.757136      6.089696
  H     -12.240320      4.051644      4.865003
  H     -11.400064      1.715460      4.622311
  H      -9.215902      1.064478      5.575765
  N      -1.920991      2.484274      3.371255
  N      -1.582126      3.159819      2.401479
  H      -0.703555      2.810199      1.959503
98
Coordinates from ORCA-job orca E -6706.513996947937
  N      -2.473332      3.329059      5.821108
  Mo     -2.468752      1.517181      4.894801
  N      -3.070917      0.552238      6.625198
  C      -2.042201      0.305966      7.617449
  C      -1.060413      1.456219      7.681291
  N      -0.467143      1.787611      6.362290
  C      -0.079836      3.217236      6.332285
  C      -1.218598      4.038003      5.668760
  C       0.568438      0.827749      5.932162
  C       0.232211      0.377418      4.498308
  N      -1.153447      0.025494      4.487363
  H      -0.986559      4.162342      4.603667
  H      -1.256649      5.049620      6.104279
  H       0.869577      3.345714      5.796662
  H       0.079769      3.555871      7.369078
  H       0.885467     -0.456397      4.186396
  H       0.412373      1.228403      3.814382
  H       0.520987     -0.052251      6.590623
  H       1.575449      1.265440      6.021427
  H      -2.454945      0.180806      8.638160
  H      -1.510458     -0.649733      7.397955
  H      -1.605498      2.344642      8.018752
  H      -0.258045      1.252963      8.414713
  C      -3.386077      3.831151      6.825382
  C      -3.948235      5.217538      6.491195
  O      -5.045830      5.148666      5.552666
  C      -4.766765      5.399690      4.258244
  O      -3.668672      5.700382      3.826285
  C      -6.021881      5.300347      3.414909
  N      -7.030529      4.617801      3.943981
  C      -8.167911      4.518162      3.214836
  N      -8.407548      5.054443      2.031427
  C      -7.377437      5.748232      1.461933
  C      -7.568114      6.301594      0.172088
  C      -6.530787      6.957753     -0.458413
  C      -5.275243      7.099128      0.180879
  C      -5.063947      6.594895      1.446159
  C      -6.107448      5.900430      2.119916
  C      -1.578885     -1.348468      4.549641
  C      -2.227130     -1.797244      3.204344
  O      -2.640031     -0.704264      2.338030
  C      -3.445862      0.261753      2.810891
  O      -3.886991      0.236725      4.023075
  C      -4.004266      1.183661      1.810959
  N      -5.148626      1.763623      2.208207
  C      -5.731443      2.628607      1.361186
  N      -5.273014      3.056717      0.194502
  C      -4.083488      2.521025     -0.210829
  C      -3.523420      2.986742     -1.426015
  C      -2.340570      2.452850     -1.901692
  C      -1.673839      1.442229     -1.173535
  C      -2.181346      0.987143      0.030907
  C      -3.395514      1.512260      0.550162
  C      -4.224353     -0.304958      6.810812
  C      -5.159820      0.062957      7.965608
  O      -5.812485      1.350191      7.810497
  C      -6.887362      1.370473      6.995354
  O      -7.279686      0.407670      6.363318
  C      -7.538001      2.736115      6.978596
  N      -6.877208      3.698918      7.598667
  C      -7.430392      4.934051      7.594773
  N      -8.582712      5.297359      7.062506
  C      -9.286791      4.320700      6.424934
  C     -10.527871      4.666875      5.825440
  C     -11.264121      3.717403      5.157389
  C     -10.785167      2.392082      5.061674
  C      -9.579506      2.022624      5.631849
  C      -8.797960      2.973746      6.335310
  H      -2.915270      3.927523      7.830833
  H      -4.223495      3.132928      6.943536
  H      -3.175802      5.874526      6.072179
  H      -4.373650      5.673887      7.394782
  H      -8.970631      3.925418      3.667172
  H      -8.543754      6.168057     -0.298073
  H      -6.672683      7.367832     -1.458569
  H      -4.461601      7.617477     -0.335081
  H      -4.096037      6.699288      1.932036
  H      -2.317890     -1.488039      5.355614
  H      -0.734326     -2.029819      4.760858
  H      -3.092004     -2.459614      3.377876
  H      -1.498382     -2.320258      2.569742
  H      -6.704341      3.015652      1.681640
  H      -4.063617      3.775100     -1.954974
  H      -1.915336      2.811604     -2.841251
  H      -0.739173      1.024175     -1.558232
  H      -1.646342      0.223675      0.591714
  H      -4.813432     -0.345973      5.888646
  H      -3.908947     -1.351215      7.030723
  H      -5.934986     -0.713058      8.058534
  H      -4.620488      0.156047      8.914961
  H      -6.847787      5.711967      8.095509
  H     -10.862101      5.700178      5.907961
  H     -12.215962      3.987526      4.689013
  H     -11.373168      1.651984      4.521417
  H      -9.209355      1.007407      5.543218
  N      -1.898109      2.466615      3.381579
  N      -1.558898      3.156093      2.425668
  H      -0.696380      2.789601      1.961198
98
Coordinates from ORCA-job orca E -6706.516775633847
  N      -2.504462      3.328482      5.801606
  Mo     -2.455473      1.517878      4.866629
  N      -3.078214      0.568422      6.600878
  C      -2.051914      0.322741      7.595517
  C      -1.071132      1.474005      7.650833
  N      -0.488357      1.800563      6.323314
  C      -0.104063      3.234015      6.293434
  C      -1.257148      4.056440      5.658076
  C       0.559336      0.843132      5.908878
  C       0.234250      0.367505      4.481742
  N      -1.151385      0.014514      4.467126
  H      -1.034641      4.208796      4.594501
  H      -1.303322      5.058322      6.116827
  H       0.834050      3.367442      5.738745
  H       0.077599      3.563076      7.329723
  H       0.891981     -0.469531      4.186482
  H       0.415812      1.208978      3.785638
  H       0.518593     -0.025645      6.582794
  H       1.561434      1.292852      5.995154
  H      -2.464437      0.202996      8.616914
  H      -1.520330     -0.634525      7.380047
  H      -1.615127      2.362700      7.988492
  H      -0.261311      1.276579      8.377338
  C      -3.412595      3.799462      6.828900
  C      -3.996255      5.184454      6.521534
  O      -5.075227      5.112355      5.561032
  C      -4.773119      5.409374      4.274839
  O      -3.671830      5.752121      3.870487
  C      -6.008240      5.290440      3.404549
  N      -7.018261      4.600584      3.917746
  C      -8.143238      4.489303      3.170603
  N      -8.369540      5.020469      1.982920
  C      -7.337766      5.720446      1.428872
  C      -7.517082      6.269795      0.137385
  C      -6.478965      6.932165     -0.478162
  C      -5.232817      7.081519      0.177136
  C      -5.032555      6.581706      1.444492
  C      -6.078866      5.883923      2.105467
  C      -1.580185     -1.357306      4.543850
  C      -2.241492     -1.813584      3.206210
  O      -2.646067     -0.726454      2.326621
  C      -3.433137      0.257489      2.795889
  O      -3.884912      0.235678      4.004280
  C      -3.979358      1.182520      1.785784
  N      -5.124385      1.755371      2.168976
  C      -5.707607      2.608616      1.309334
  N      -5.245683      3.031271      0.144008
  C      -4.052017      2.503316     -0.245960
  C      -3.486276      2.968505     -1.456528
  C      -2.298215      2.443056     -1.916264
  C      -1.632268      1.440115     -1.177414
  C      -2.145850      0.984052      0.021912
  C      -3.366710      1.501833      0.526422
  C      -4.234707     -0.284234      6.787705
  C      -5.159343      0.083813      7.950171
  O      -5.806406      1.375125      7.804706
  C      -6.889372      1.400072      7.002533
  O      -7.291792      0.437464      6.374041
  C      -7.555148      2.762710      7.017175
  N      -6.907128      3.720723      7.666183
  C      -7.477902      4.947955      7.705242
  N      -8.640387      5.306382      7.195729
  C      -9.332202      4.335006      6.529978
  C     -10.584546      4.675381      5.958465
  C     -11.307430      3.731035      5.260460
  C     -10.803349      2.416768      5.105820
  C      -9.587839      2.052575      5.650499
  C      -8.820040      2.998247      6.385533
  H      -2.935984      3.890305      7.833428
  H      -4.237297      3.083386      6.941918
  H      -3.228199      5.871110      6.130047
  H      -4.448856      5.609479      7.432765
  H      -8.946415      3.891553      3.611112
  H      -8.485406      6.129532     -0.345685
  H      -6.612788      7.340350     -1.478253
  H      -4.418460      7.603939     -0.327622
  H      -4.072084      6.692987      1.943133
  H      -2.313314     -1.488867      5.356387
  H      -0.736829     -2.041318      4.751026
  H      -3.113106     -2.462492      3.394255
  H      -1.523125     -2.354422      2.575175
  H      -6.683423      2.986133      1.616939
  H      -4.025933      3.751891     -1.992483
  H      -1.867205      2.802653     -2.851294
  H      -0.692524      1.031331     -1.548391
  H      -1.610782      0.229916      0.592183
  H      -4.830763     -0.317203      5.869544
  H      -3.923512     -1.333529      7.000229
  H      -5.937470     -0.687681      8.045168
  H      -4.613437      0.171445      8.897008
  H      -6.902975      5.721377      8.227734
  H     -10.937245      5.700545      6.084949
  H     -12.267011      3.996914      4.812832
  H     -11.380006      1.680775      4.541156
  H      -9.200034      1.045283      5.519999
  N      -1.855114      2.467607      3.364507
  N      -1.500367      3.176518      2.426625
  H      -0.644713      2.807083      1.951143
98
Coordinates from ORCA-job orca E -6706.519215930900
  N      -2.533937      3.336565      5.793093
  Mo     -2.444372      1.530804      4.843334
  N      -3.090622      0.584165      6.575082
  C      -2.066550      0.332584      7.569452
  C      -1.085269      1.482419      7.622206
  N      -0.514706      1.809690      6.286648
  C      -0.126652      3.245711      6.262604
  C      -1.291429      4.077579      5.661891
  C       0.543084      0.854022      5.883663
  C       0.228151      0.361543      4.462346
  N      -1.158655      0.012054      4.441432
  H      -1.080583      4.262688      4.601356
  H      -1.340268      5.065921      6.149482
  H       0.798114      3.380130      5.686069
  H       0.083043      3.560432      7.298224
  H       0.887823     -0.478675      4.181092
  H       0.415184      1.194626      3.758346
  H       0.506487     -0.005968      6.568054
  H       1.540944      1.313491      5.969400
  H      -2.477999      0.213351      8.590953
  H      -1.536423     -0.625389      7.352634
  H      -1.624897      2.370320      7.966244
  H      -0.266765      1.284897      8.337756
  C      -3.432360      3.784600      6.838013
  C      -4.030138      5.161974      6.544345
  O      -5.103329      5.087609      5.578435
  C      -4.800481      5.394134      4.302445
  O      -3.699512      5.737195      3.910925
  C      -6.029922      5.277801      3.424140
  N      -7.050824      4.602493      3.936247
  C      -8.165954      4.485358      3.175912
  N      -8.372577      4.996850      1.974549
  C      -7.329987      5.682069      1.420979
  C      -7.486909      6.205786      0.111392
  C      -6.438455      6.852511     -0.504276
  C      -5.204174      7.011847      0.169560
  C      -5.024499      6.534914      1.453289
  C      -6.080920      5.851895      2.113610
  C      -1.593631     -1.354162      4.514878
  C      -2.265708     -1.795591      3.181536
  O      -2.659380     -0.704377      2.305511
  C      -3.424122      0.291475      2.780075
  O      -3.883874      0.264381      3.976757
  C      -3.952235      1.228235      1.768322
  N      -5.090068      1.821942      2.140971
  C      -5.657386      2.675152      1.268536
  N      -5.184382      3.071685      0.097466
  C      -3.995428      2.519980     -0.281801
  C      -3.415178      2.952325     -1.500482
  C      -2.230482      2.402417     -1.942651
  C      -1.580861      1.407641     -1.178547
  C      -2.109099      0.980910      0.025957
  C      -3.329232      1.522412      0.510692
  C      -4.246927     -0.268620      6.759945
  C      -5.155556      0.088022      7.939774
  O      -5.807791      1.380774      7.812603
  C      -6.912854      1.407158      7.039397
  O      -7.334075      0.443497      6.420297
  C      -7.576309      2.771253      7.067438
  N      -6.929988      3.723543      7.725169
  C      -7.502945      4.948863      7.778075
  N      -8.667289      5.308941      7.278294
  C      -9.356227      4.343328      6.604427
  C     -10.610165      4.684894      6.042571
  C     -11.328869      3.746574      5.333416
  C     -10.818545      2.437594      5.158422
  C      -9.602175      2.071995      5.694993
  C      -8.839604      3.011172      6.441099
  H      -2.945145      3.877139      7.836673
  H      -4.246563      3.059026      6.953824
  H      -3.270131      5.859222      6.167097
  H      -4.490855      5.568338      7.454342
  H      -8.978209      3.900008      3.616727
  H      -8.446830      6.058289     -0.385121
  H      -6.554241      7.239986     -1.520634
  H      -4.381163      7.521458     -0.335041
  H      -4.073309      6.653633      1.965187
  H      -2.320606     -1.486383      5.328478
  H      -0.753219     -2.045675      4.709562
  H      -3.144082     -2.428052      3.372168
  H      -1.558711     -2.346836      2.550286
  H      -6.628231      3.076329      1.571680
  H      -3.941319      3.728580     -2.057454
  H      -1.788642      2.735991     -2.884393
  H      -0.642952      0.979672     -1.536736
  H      -1.588758      0.229289      0.614064
  H      -4.853405     -0.289692      5.847998
  H      -3.935465     -1.322086      6.957043
  H      -5.930472     -0.685467      8.042633
  H      -4.594422      0.170932      8.880594
  H      -6.928871      5.718030      8.306059
  H     -10.966863      5.706282      6.183946
  H     -12.289349      4.013469      4.892747
  H     -11.391222      1.706708      4.583736
  H      -9.209653      1.068124      5.550149
  N      -1.797299      2.490992      3.358787
  N      -1.414858      3.222178      2.442768
  H      -0.569175      2.845062      1.954145
98
Coordinates from ORCA-job orca E -6706.521507031295
  N      -2.553098      3.342086      5.782919
  Mo     -2.434743      1.534021      4.836628
  N      -3.085467      0.598963      6.575794
  C      -2.053689      0.352104      7.563864
  C      -1.071633      1.502136      7.595080
  N      -0.527021      1.819390      6.243339
  C      -0.133711      3.257110      6.208271
  C      -1.315941      4.094637      5.648296
  C       0.537997      0.863103      5.848205
  C       0.217656      0.342835      4.439237
  N      -1.170939     -0.002443      4.430391
  H      -1.126721      4.306404      4.589284
  H      -1.361706      5.070386      6.159425
  H       0.769425      3.385906      5.597561
  H       0.116993      3.565971      7.236382
  H       0.874549     -0.504120      4.173076
  H       0.404501      1.160798      3.717414
  H       0.512847      0.016646      6.549635
  H       1.531634      1.333633      5.919632
  H      -2.455045      0.241047      8.590500
  H      -1.525710     -0.607684      7.348940
  H      -1.603177      2.392525      7.944019
  H      -0.237366      1.309573      8.292828
  C      -3.433636      3.770647      6.850710
  C      -4.048284      5.145993      6.578724
  O      -5.111801      5.073691      5.601603
  C      -4.803830      5.416282      4.334216
  O      -3.707060      5.795465      3.959454
  C      -6.022835      5.294695      3.441862
  N      -7.047378      4.620456      3.946019
  C      -8.157202      4.503902      3.178607
  N      -8.355389      5.014371      1.976393
  C      -7.308678      5.697560      1.430239
  C      -7.457285      6.219461      0.120416
  C      -6.405150      6.863972     -0.488607
  C      -5.174219      7.020001      0.191205
  C      -5.002369      6.544446      1.475511
  C      -6.063942      5.866130      2.130677
  C      -1.612494     -1.365104      4.516458
  C      -2.309321     -1.807140      3.193682
  O      -2.695175     -0.717727      2.312182
  C      -3.433840      0.294652      2.793253
  O      -3.895870      0.269312      3.989065
  C      -3.956693      1.234922      1.777296
  N      -5.094311      1.827100      2.143836
  C      -5.663922      2.671426      1.262716
  N      -5.190718      3.059452      0.089893
  C      -4.000362      2.508899     -0.283131
  C      -3.418372      2.934751     -1.502568
  C      -2.232148      2.384359     -1.937252
  C      -1.582626      1.394876     -1.165485
  C      -2.111997      0.974670      0.039855
  C      -3.334046      1.518498      0.517968
  C      -4.239971     -0.253741      6.772208
  C      -5.139160      0.102651      7.959244
  O      -5.801411      1.389108      7.826154
  C      -6.917542      1.399129      7.069665
  O      -7.345417      0.423844      6.473268
  C      -7.582715      2.760984      7.081528
  N      -6.947435      3.716866      7.744031
  C      -7.526409      4.939954      7.783932
  N      -8.686774      5.294194      7.266796
  C      -9.363523      4.325164      6.586374
  C     -10.613184      4.660769      6.005338
  C     -11.320061      3.719523      5.289189
  C     -10.801317      2.414063      5.125384
  C      -9.588751      2.054014      5.680650
  C      -8.839131      2.995693      6.435662
  H      -2.929570      3.862054      7.840983
  H      -4.237344      3.036306      6.974637
  H      -3.295862      5.863409      6.221595
  H      -4.522346      5.526280      7.494213
  H      -8.972947      3.920462      3.613961
  H      -8.414287      6.073107     -0.381273
  H      -6.514910      7.251192     -1.504785
  H      -4.347802      7.526814     -0.308692
  H      -4.053700      6.660607      1.991746
  H      -2.327506     -1.491482      5.342547
  H      -0.772894     -2.061028      4.698302
  H      -3.196855     -2.421659      3.402012
  H      -1.620109     -2.377422      2.559263
  H      -6.635905      3.070704      1.560685
  H      -3.943877      3.707874     -2.064878
  H      -1.788178      2.713351     -2.879062
  H      -0.642948      0.967406     -1.518432
  H      -1.591903      0.228144      0.635132
  H      -4.855834     -0.275352      5.866627
  H      -3.926410     -1.307378      6.965764
  H      -5.907794     -0.675477      8.075756
  H      -4.569870      0.197737      8.893693
  H      -6.963230      5.712327      8.318081
  H     -10.976046      5.680115      6.138437
  H     -12.277795      3.981832      4.834502
  H     -11.364377      1.681231      4.544319
  H      -9.190340      1.052551      5.544862
  N      -1.772816      2.493002      3.360332
  N      -1.383502      3.235783      2.458234
  H      -0.549668      2.858206      1.951878
98
Coordinates from ORCA-job orca E -6706.523594803191
  N      -2.562801      3.354220      5.767256
  Mo     -2.423675      1.539681      4.834325
  N      -3.077093      0.612298      6.578939
  C      -2.037629      0.375055      7.561943
  C      -1.055419      1.526348      7.570639
  N      -0.536138      1.830033      6.201967
  C      -0.134033      3.268870      6.149808
  C      -1.330049      4.115942      5.630269
  C       0.535774      0.870477      5.816213
  C       0.207777      0.318896      4.422225
  N      -1.184107     -0.018883      4.428722
  H      -1.162399      4.354228      4.574206
  H      -1.368899      5.077635      6.166263
  H       0.745037      3.385561      5.502966
  H       0.160223      3.574511      7.166822
  H       0.859266     -0.538356      4.176309
  H       0.397444      1.115399      3.677077
  H       0.520090      0.038886      6.535378
  H       1.525331      1.351047      5.873060
  H      -2.429742      0.273700      8.593229
  H      -1.509435     -0.585915      7.351436
  H      -1.577806      2.421190      7.922151
  H      -0.205662      1.338711      8.250389
  C      -3.428208      3.766850      6.853245
  C      -4.062697      5.137001      6.599841
  O      -5.119903      5.060332      5.616370
  C      -4.810897      5.427163      4.357300
  O      -3.719137      5.833135      3.996831
  C      -6.022692      5.307960      3.453048
  N      -7.058088      4.643303      3.952352
  C      -8.167085      4.539372      3.181559
  N      -8.355538      5.055912      1.980274
  C      -7.296581      5.728593      1.438490
  C      -7.434329      6.257048      0.131740
  C      -6.369598      6.891328     -0.472579
  C      -5.136162      7.028068      0.208541
  C      -4.974834      6.545724      1.490310
  C      -6.050340      5.880206      2.141953
  C      -1.632972     -1.378159      4.527570
  C      -2.353328     -1.822730      3.214345
  O      -2.727248     -0.734435      2.325201
  C      -3.440981      0.295911      2.810986
  O      -3.907085      0.276696      4.008792
  C      -3.955696      1.239558      1.790710
  N      -5.092804      1.837504      2.155016
  C      -5.660217      2.679888      1.269145
  N      -5.184330      3.058084      0.094074
  C      -3.993784      2.502185     -0.276776
  C      -3.409549      2.920149     -1.497511
  C      -2.222552      2.364499     -1.928010
  C      -1.574209      1.377338     -1.150789
  C      -2.104977      0.964847      0.056182
  C      -3.328219      1.515750      0.530892
  C      -4.229069     -0.241489      6.781689
  C      -5.128976      0.117025      7.965356
  O      -5.798735      1.395601      7.815531
  C      -6.919426      1.389279      7.068859
  O      -7.355831      0.400825      6.501753
  C      -7.589104      2.748176      7.066871
  N      -6.963603      3.708883      7.731937
  C      -7.553571      4.927543      7.773142
  N      -8.717084      5.272760      7.257887
  C      -9.383245      4.299427      6.573828
  C     -10.638092      4.624392      6.000879
  C     -11.336549      3.678216      5.284325
  C     -10.801888      2.379538      5.108880
  C      -9.583701      2.029790      5.655889
  C      -8.844860      2.975195      6.416490
  H      -2.908482      3.861944      7.834166
  H      -4.221426      3.022813      6.988099
  H      -3.321142      5.873884      6.258979
  H      -4.547718      5.492931      7.519835
  H      -8.993109      3.964899      3.614753
  H      -8.393172      6.124412     -0.371489
  H      -6.471392      7.284851     -1.485256
  H      -4.299424      7.525956     -0.288215
  H      -4.024224      6.647207      2.008096
  H      -2.336623     -1.497898      5.366658
  H      -0.794670     -2.078047      4.699782
  H      -3.252055     -2.418211      3.439443
  H      -1.682272     -2.414595      2.578697
  H      -6.631994      3.085219      1.565431
  H      -3.933687      3.692328     -2.064277
  H      -1.776495      2.687686     -2.870568
  H      -0.633876      0.946476     -1.501503
  H      -1.586821      0.220088      0.655936
  H      -4.846857     -0.265361      5.877668
  H      -3.915018     -1.294533      6.975415
  H      -5.891104     -0.666222      8.091644
  H      -4.560684      0.229146      8.896814
  H      -6.999571      5.703725      8.310246
  H     -11.012987      5.639283      6.142709
  H     -12.299484      3.931464      4.839166
  H     -11.358413      1.643481      4.526651
  H      -9.174730      1.032444      5.513713
  N      -1.745836      2.488367      3.361343
  N      -1.352925      3.227679      2.461743
  H      -0.532836      2.842762      1.935692
98
Coordinates from ORCA-job orca E -6706.525501370683
  N      -2.587484      3.363038      5.758132
  Mo     -2.426386      1.544134      4.832650
  N      -3.076710      0.614922      6.581128
  C      -2.026959      0.386474      7.554913
  C      -1.047258      1.540415      7.544726
  N      -0.555550      1.836968      6.161058
  C      -0.148042      3.277310      6.094926
  C      -1.358376      4.133760      5.621373
  C       0.523982      0.877825      5.777153
  C       0.186339      0.301283      4.397410
  N      -1.208407     -0.031748      4.419956
  H      -1.213125      4.402426      4.569613
  H      -1.390147      5.078624      6.186382
  H       0.703280      3.384574      5.410455
  H       0.191879      3.577570      7.098965
  H       0.833471     -0.563748      4.169117
  H       0.376489      1.077232      3.631863
  H       0.519893      0.057598      6.508470
  H       1.508524      1.369438      5.819864
  H      -2.407578      0.291428      8.591086
  H      -1.497106     -0.573903      7.345705
  H      -1.561268      2.437404      7.902524
  H      -0.181615      1.356116      8.204167
  C      -3.437852      3.764881      6.858474
  C      -4.078903      5.132576      6.622879
  O      -5.128247      5.060824      5.630987
  C      -4.817260      5.459382      4.382227
  O      -3.731625      5.896852      4.039876
  C      -6.016419      5.325502      3.465203
  N      -7.051467      4.660610      3.960667
  C      -8.153921      4.548672      3.183586
  N      -8.336604      5.057609      1.979014
  C      -7.277753      5.729298      1.440767
  C      -7.410428      6.249512      0.131944
  C      -6.347098      6.884459     -0.467998
  C      -5.118802      7.026800      0.218605
  C      -4.961369      6.550513      1.501844
  C      -6.036997      5.887951      2.150952
  C      -1.659029     -1.387838      4.523259
  C      -2.400819     -1.825668      3.218882
  O      -2.765238     -0.733744      2.332015
  C      -3.458430      0.307254      2.824239
  O      -3.925528      0.289597      4.018745
  C      -3.965730      1.253787      1.802327
  N      -5.109013      1.844657      2.150061
  C      -5.673230      2.676919      1.251846
  N      -5.189907      3.048640      0.079261
  C      -3.992422      2.500948     -0.274469
  C      -3.401806      2.910445     -1.494199
  C      -2.208170      2.360559     -1.906998
  C      -1.559568      1.386609     -1.113701
  C      -2.096700      0.981255      0.091404
  C      -3.325888      1.528195      0.548488
  C      -4.223653     -0.240821      6.796288
  C      -5.110135      0.112657      7.993317
  O      -5.791568      1.387072      7.845223
  C      -6.928723      1.369933      7.123763
  O      -7.371836      0.372306      6.576064
  C      -7.591169      2.730996      7.099523
  N      -6.973100      3.693635      7.769511
  C      -7.559990      4.913663      7.791377
  N      -8.712567      5.259558      7.251124
  C      -9.369215      4.285662      6.559014
  C     -10.612336      4.612231      5.957500
  C     -11.303401      3.665362      5.232838
  C     -10.770757      2.365474      5.076110
  C      -9.563229      2.014237      5.650130
  C      -8.833858      2.959491      6.421638
  H      -2.903709      3.860856      7.831303
  H      -4.226050      3.017863      7.001367
  H      -3.343436      5.881051      6.301672
  H      -4.570803      5.466318      7.545222
  H      -8.979881      3.974844      3.613939
  H      -8.365288      6.110819     -0.375602
  H      -6.445479      7.273114     -1.481556
  H      -4.282760      7.523919     -0.274920
  H      -4.014269      6.655475      2.023556
  H      -2.349775     -1.508931      5.372339
  H      -0.819997     -2.089855      4.681414
  H      -3.307479     -2.404580      3.453875
  H      -1.746414     -2.430972      2.579790
  H      -6.650164      3.075811      1.533065
  H      -3.926273      3.670939     -2.075512
  H      -1.756940      2.677321     -2.848580
  H      -0.614536      0.960561     -1.451828
  H      -1.580246      0.245354      0.703306
  H      -4.853632     -0.261471      5.900274
  H      -3.906275     -1.295136      6.980311
  H      -5.864100     -0.676049      8.134928
  H      -4.529128      0.233155      8.916690
  H      -7.014661      5.691576      8.334154
  H     -10.985467      5.628457      6.084802
  H     -12.258731      3.919211      4.766904
  H     -11.321439      1.629706      4.486499
  H      -9.156811      1.015547      5.522432
  N      -1.737324      2.494320      3.364898
  N      -1.341177      3.234794      2.468578
  H      -0.534592      2.846284      1.926814
98
Coordinates from ORCA-job orca E -6706.527200577007
  N      -2.608338      3.367772      5.746773
  Mo     -2.426711      1.547908      4.823790
  N      -3.072172      0.622140      6.579136
  C      -2.014452      0.406483      7.547122
  C      -1.035386      1.561311      7.515863
  N      -0.564763      1.847182      6.120635
  C      -0.156487      3.287724      6.037121
  C      -1.382676      4.148923      5.609694
  C       0.519311      0.888337      5.736631
  C       0.172175      0.288397      4.369421
  N      -1.224013     -0.040553      4.406623
  H      -1.258500      4.449253      4.562510
  H      -1.410504      5.076314      6.204079
  H       0.665749      3.388686      5.316891
  H       0.227415      3.586451      7.026033
  H       0.815323     -0.583918      4.157842
  H       0.362106      1.045612      3.585546
  H       0.526524      0.078392      6.479119
  H       1.499412      1.389055      5.764405
  H      -2.386355      0.323836      8.587794
  H      -1.484120     -0.555556      7.346120
  H      -1.542523      2.461926      7.874572
  H      -0.158467      1.381451      8.160856
  C      -3.444083      3.749723      6.869798
  C      -4.104753      5.116885      6.664078
  O      -5.146756      5.048850      5.664295
  C      -4.833725      5.484713      4.425793
  O      -3.754732      5.957491      4.103689
  C      -6.020632      5.345683      3.493057
  N      -7.063292      4.684403      3.977407
  C      -8.155306      4.570063      3.185387
  N      -8.320749      5.072715      1.974201
  C      -7.253161      5.738077      1.445520
  C      -7.364772      6.246550      0.126935
  C      -6.290645      6.871732     -0.465306
  C      -5.072078      7.015497      0.239021
  C      -4.934936      6.550195      1.531866
  C      -6.021976      5.898570      2.173395
  C      -1.676298     -1.395030      4.513825
  C      -2.442209     -1.828613      3.220292
  O      -2.799674     -0.734921      2.334317
  C      -3.475203      0.316551      2.830130
  O      -3.940982      0.305381      4.023190
  C      -3.972624      1.267118      1.807632
  N      -5.118684      1.860194      2.144268
  C      -5.675623      2.688908      1.238021
  N      -5.185523      3.051225      0.065341
  C      -3.985254      2.500956     -0.277251
  C      -3.388670      2.895918     -1.499993
  C      -2.192417      2.340338     -1.902064
  C      -1.546126      1.376734     -1.094039
  C      -2.089465      0.986155      0.114126
  C      -3.322029      1.536814      0.557977
  C      -4.215218     -0.232323      6.808803
  C      -5.092119      0.131728      8.009038
  O      -5.782724      1.398650      7.847726
  C      -6.932292      1.365814      7.146172
  O      -7.386347      0.357013      6.631297
  C      -7.600335      2.724531      7.110115
  N      -6.992691      3.692000      7.781502
  C      -7.586407      4.908851      7.797863
  N      -8.736805      5.248116      7.249604
  C      -9.382092      4.269846      6.554016
  C     -10.622726      4.589163      5.944318
  C     -11.304062      3.637163      5.219720
  C     -10.761428      2.340339      5.067652
  C      -9.555133      1.996881      5.647738
  C      -8.837953      2.946170      6.422660
  H      -2.893107      3.840309      7.834698
  H      -4.223089      2.993007      7.019532
  H      -3.379403      5.888221      6.364595
  H      -4.608071      5.419875      7.594854
  H      -8.987602      3.999434      3.607403
  H      -8.312258      6.104834     -0.394678
  H      -6.372001      7.249962     -1.487628
  H      -4.226303      7.503139     -0.248793
  H      -3.994658      6.654761      2.066516
  H      -2.354053     -1.517138      5.373231
  H      -0.836249     -2.098692      4.657350
  H      -3.355282     -2.391990      3.468214
  H      -1.804975     -2.447125      2.575773
  H      -6.654481      3.091211      1.510513
  H      -3.910908      3.647610     -2.094396
  H      -1.737333      2.644553     -2.846862
  H      -0.599067      0.945741     -1.424668
  H      -1.576953      0.256040      0.736815
  H      -4.852244     -0.257994      5.917860
  H      -3.898079     -1.285535      6.996075
  H      -5.839141     -0.659012      8.170464
  H      -4.502175      0.270459      8.923961
  H      -7.050913      5.690793      8.344341
  H     -11.002638      5.603586      6.066980
  H     -12.258759      3.884544      4.749054
  H     -11.304231      1.601197      4.477613
  H      -9.142042      1.000208      5.524710
  N      -1.728715      2.493786      3.358798
  N      -1.324362      3.230217      2.461557
  H      -0.533499      2.822015      1.909793
98
Coordinates from ORCA-job orca E -6706.528818957788
  N      -2.629644      3.368341      5.734031
  Mo     -2.432067      1.545349      4.818908
  N      -3.068178      0.626063      6.584182
  C      -2.002142      0.425327      7.545818
  C      -1.022831      1.579926      7.492599
  N      -0.572588      1.852583      6.086822
  C      -0.165982      3.291774      5.979049
  C      -1.405256      4.155458      5.596023
  C       0.513419      0.892909      5.700394
  C       0.154222      0.267540      4.347081
  N      -1.243829     -0.055955      4.400543
  H      -1.300454      4.483133      4.554573
  H      -1.428028      5.065753      6.216394
  H       0.622331      3.383337      5.220761
  H       0.264669      3.594725      6.947391
  H       0.791999     -0.613427      4.154621
  H       0.344378      1.003501      3.543559
  H       0.532759      0.093926      6.454476
  H       1.489280      1.401998      5.710355
  H      -2.365547      0.357166      8.590737
  H      -1.471207     -0.538603      7.355051
  H      -1.522122      2.484987      7.850676
  H      -0.135982      1.403257      8.124400
  C      -3.454799      3.745755      6.865328
  C      -4.124683      5.103637      6.664172
  O      -5.159441      5.031504      5.658562
  C      -4.847025      5.483053      4.430783
  O      -3.777218      5.982832      4.123840
  C      -6.028407      5.346484      3.491161
  N      -7.079587      4.693838      3.969955
  C      -8.170297      4.592076      3.175076
  N      -8.329452      5.104604      1.968142
  C      -7.253333      5.760984      1.445570
  C      -7.358928      6.282228      0.134044
  C      -6.276252      6.899057     -0.451781
  C      -5.054401      7.020132      0.251468
  C      -4.922933      6.542122      1.537279
  C      -6.019795      5.901678      2.173685
  C      -1.698820     -1.408636      4.512346
  C      -2.491613     -1.838467      3.231988
  O      -2.841223     -0.743925      2.343547
  C      -3.499929      0.319245      2.839557
  O      -3.965059      0.316519      4.030302
  C      -3.981658      1.275576      1.814364
  N      -5.132213      1.869804      2.133584
  C      -5.675225      2.698880      1.219255
  N      -5.171755      3.055514      0.050983
  C      -3.966995      2.503371     -0.273825
  C      -3.356045      2.890922     -1.491377
  C      -2.153446      2.335039     -1.873162
  C      -1.514602      1.379089     -1.049654
  C      -2.073145      0.996330      0.153240
  C      -3.311799      1.546359      0.575074
  C      -4.206275     -0.228406      6.830431
  C      -5.074112      0.144880      8.034518
  O      -5.767336      1.408351      7.862370
  C      -6.924506      1.362124      7.175462
  O      -7.388406      0.343248      6.690379
  C      -7.597581      2.719711      7.128546
  N      -7.005012      3.690723      7.810166
  C      -7.606190      4.903506      7.824176
  N      -8.753272      5.235256      7.266541
  C      -9.382705      4.253098      6.559556
  C     -10.618876      4.562792      5.939310
  C     -11.282111      3.605824      5.199432
  C     -10.723826      2.314182      5.041115
  C      -9.522187      1.980430      5.633200
  C      -8.825732      2.933865      6.425355
  H      -2.890637      3.843106      7.819802
  H      -4.228769      2.987126      7.025932
  H      -3.405528      5.880748      6.378778
  H      -4.636613      5.392492      7.589859
  H      -9.009158      4.027426      3.591884
  H      -8.309044      6.156364     -0.386826
  H      -6.353315      7.287770     -1.467507
  H      -4.201278      7.500395     -0.231100
  H      -3.981235      6.631570      2.072776
  H      -2.362910     -1.530556      5.382160
  H      -0.858436     -2.114232      4.641003
  H      -3.410928     -2.383139      3.496065
  H      -1.874739     -2.473199      2.583078
  H      -6.656391      3.106415      1.479434
  H      -3.871621      3.637100     -2.099006
  H      -1.687683      2.633782     -2.813449
  H      -0.562335      0.948376     -1.363783
  H      -1.567916      0.271799      0.788714
  H      -4.850996     -0.258575      5.944622
  H      -3.888231     -1.280938      7.020001
  H      -5.817419     -0.645279      8.210580
  H      -4.476833      0.296132      8.943149
  H      -7.080427      5.689265      8.376370
  H     -11.009851      5.573683      6.064491
  H     -12.233461      3.845017      4.719948
  H     -11.251511      1.571898      4.436844
  H      -9.097547      0.987161      5.506931
  N      -1.726542      2.482113      3.354988
  N      -1.314698      3.211929      2.453066
  H      -0.543693      2.777945      1.894071
98
Coordinates from ORCA-job orca E -6706.530265765249
  N      -2.650298      3.373665      5.721790
  Mo     -2.450585      1.549383      4.811202
  N      -3.062510      0.634466      6.588929
  C      -1.984699      0.451000      7.540941
  C      -1.005793      1.605900      7.464642
  N      -0.576435      1.865426      6.050743
  C      -0.176143      3.301498      5.911532
  C      -1.428691      4.166001      5.574368
  C       0.504986      0.903971      5.654793
  C       0.126321      0.256665      4.315949
  N      -1.272464     -0.060547      4.391670
  H      -1.346622      4.516970      4.538140
  H      -1.444789      5.060763      6.216777
  H       0.572489      3.381799      5.113041
  H       0.302757      3.615703      6.853553
  H       0.757195     -0.632431      4.138211
  H       0.313560      0.973655      3.495011
  H       0.538875      0.114335      6.418288
  H       1.478158      1.417953      5.641427
  H      -2.337011      0.396097      8.590683
  H      -1.452459     -0.513670      7.358517
  H      -1.497368      2.514765      7.822681
  H      -0.110293      1.431301      8.084696
  C      -3.459233      3.742879      6.869556
  C      -4.137437      5.100896      6.691667
  O      -5.164972      5.038252      5.677812
  C      -4.853318      5.525375      4.461696
  O      -3.787844      6.041520      4.174154
  C      -6.021456      5.375358      3.507997
  N      -7.078289      4.727881      3.981049
  C      -8.159922      4.619560      3.175076
  N      -8.306300      5.124345      1.962412
  C      -7.224171      5.774008      1.444547
  C      -7.316155      6.285978      0.126422
  C      -6.227117      6.894995     -0.455321
  C      -5.011929      7.017074      0.258443
  C      -4.893294      6.547912      1.550220
  C      -5.997539      5.917228      2.183548
  C      -1.731614     -1.411597      4.513152
  C      -2.555548     -1.841524      3.250086
  O      -2.898148     -0.749249      2.354806
  C      -3.542636      0.325617      2.847893
  O      -4.005391      0.337435      4.041389
  C      -4.005521      1.287024      1.818737
  N      -5.161816      1.880933      2.119127
  C      -5.688568      2.710438      1.195840
  N      -5.169230      3.061232      0.031526
  C      -3.958466      2.509075     -0.272683
  C      -3.331061      2.887164     -1.485404
  C      -2.119871      2.334494     -1.843210
  C      -1.488106      1.390646     -1.000872
  C      -2.065015      1.014998      0.195726
  C      -3.313016      1.560999      0.592488
  C      -4.190864     -0.227874      6.851698
  C      -5.053570      0.146742      8.061243
  O      -5.764389      1.401039      7.882224
  C      -6.935394      1.335696      7.219218
  O      -7.400351      0.307691      6.755587
  C      -7.608071      2.693128      7.151915
  N      -7.026513      3.665335      7.840495
  C      -7.627263      4.877526      7.843793
  N      -8.767011      5.207069      7.270200
  C      -9.384980      4.223321      6.555496
  C     -10.613086      4.529366      5.920321
  C     -11.263117      3.570102      5.172618
  C     -10.698039      2.280391      5.018024
  C      -9.503891      1.950676      5.624216
  C      -8.823568      2.905127      6.428235
  H      -2.877954      3.833464      7.814410
  H      -4.228881      2.981892      7.037517
  H      -3.423098      5.891474      6.426682
  H      -4.659506      5.364833      7.621720
  H      -9.002789      4.057378      3.587586
  H      -8.261262      6.158175     -0.402345
  H      -6.293786      7.275958     -1.475928
  H      -4.152824      7.489769     -0.220808
  H      -3.957319      6.639399      2.093878
  H      -2.380304     -1.529400      5.396536
  H      -0.891361     -2.119544      4.626550
  H      -3.480749     -2.365146      3.536595
  H      -1.962503     -2.495477      2.597052
  H      -6.672752      3.120772      1.440953
  H      -3.840346      3.623312     -2.109683
  H      -1.642170      2.627002     -2.779467
  H      -0.528837      0.963120     -1.295159
  H      -1.567000      0.298339      0.845296
  H      -4.841824     -0.267049      5.970085
  H      -3.864425     -1.278063      7.043932
  H      -5.784839     -0.651442      8.254235
  H      -4.448779      0.315796      8.961701
  H      -7.107499      5.664904      8.399682
  H     -11.008476      5.539225      6.040511
  H     -12.208405      3.805860      4.682607
  H     -11.214605      1.536984      4.406826
  H      -9.075311      0.958448      5.503571
  N      -1.749804      2.472895      3.341195
  N      -1.334085      3.184898      2.424941
  H      -0.584349      2.719233      1.863963
98
Coordinates from ORCA-job orca E -6706.531506069558
  N      -2.674847      3.365215      5.712298
  Mo     -2.464881      1.543350      4.801907
  N      -3.054865      0.637977      6.593040
  C      -1.968099      0.471346      7.538089
  C      -0.990555      1.626790      7.436704
  N      -0.582358      1.872294      6.015953
  C      -0.193307      3.306124      5.845078
  C      -1.460102      4.168241      5.554057
  C       0.496480      0.911505      5.614325
  C       0.104359      0.243765      4.288666
  N      -1.293286     -0.070782      4.381599
  H      -1.401605      4.541051      4.523919
  H      -1.471727      5.048789      6.215565
  H       0.512386      3.375564      5.007818
  H       0.331858      3.634536      6.757248
  H       0.732234     -0.649344      4.122036
  H       0.287094      0.947689      3.455772
  H       0.547437      0.132601      6.387649
  H       1.465989      1.431435      5.577615
  H      -2.311254      0.431541      8.591608
  H      -1.435259     -0.494955      7.365717
  H      -1.475930      2.538829      7.794022
  H      -0.087067      1.456493      8.046454
  C      -3.473314      3.725438      6.870285
  C      -4.166925      5.075849      6.701759
  O      -5.184412      5.008090      5.678761
  C      -4.871844      5.524890      4.475680
  O      -3.820741      6.086324      4.210324
  C      -6.031054      5.377580      3.509396
  N      -7.095157      4.732014      3.968431
  C      -8.170206      4.632172      3.151990
  N      -8.304048      5.146076      1.941785
  C      -7.213513      5.792625      1.437311
  C      -7.290932      6.312055      0.120631
  C      -6.191903      6.914648     -0.449389
  C      -4.981149      7.023377      0.275233
  C      -4.877082      6.547899      1.566205
  C      -5.992066      5.924119      2.187502
  C      -1.756906     -1.418689      4.506487
  C      -2.608833     -1.842484      3.260500
  O      -2.945606     -0.752726      2.360816
  C      -3.576852      0.327833      2.853184
  O      -4.038979      0.344496      4.043922
  C      -4.021398      1.296995      1.821249
  N      -5.182676      1.888012      2.101656
  C      -5.692017      2.719584      1.169851
  N      -5.154696      3.067915      0.012848
  C      -3.939193      2.515465     -0.269853
  C      -3.291916      2.885354     -1.475019
  C      -2.074329      2.330559     -1.809337
  C      -1.454309      1.393854     -0.950224
  C      -2.051935      1.026471      0.238984
  C      -3.308414      1.572554      0.609827
  C      -4.177719     -0.225132      6.876697
  C      -5.028887      0.163908      8.089149
  O      -5.744692      1.412541      7.898385
  C      -6.926129      1.331904      7.256713
  O      -7.401572      0.294810      6.825612
  C      -7.604452      2.687140      7.180895
  N      -7.037057      3.661626      7.877676
  C      -7.644812      4.870358      7.874315
  N      -8.780781      5.192956      7.288097
  C      -9.383416      4.206733      6.564158
  C     -10.605480      4.504994      5.912595
  C     -11.237296      3.543326      5.154866
  C     -10.660216      2.258972      5.004815
  C      -9.471657      1.936781      5.626379
  C      -8.810857      2.893182      6.441707
  H      -2.881657      3.819657      7.806861
  H      -4.233811      2.955640      7.044380
  H      -3.460611      5.878595      6.452451
  H      -4.702641      5.320717      7.628409
  H      -9.018450      4.069485      3.552639
  H      -8.232571      6.193020     -0.417116
  H      -6.246939      7.299957     -1.469601
  H      -4.113388      7.489632     -0.195053
  H      -3.944855      6.630342      2.118672
  H      -2.390946     -1.535088      5.399588
  H      -0.917795     -2.130356      4.601914
  H      -3.538130     -2.342643      3.568525
  H      -2.040644     -2.513747      2.604839
  H      -6.678163      3.131046      1.398432
  H      -3.791210      3.615667     -2.113396
  H      -1.582439      2.616100     -2.741002
  H      -0.489273      0.964370     -1.225568
  H      -1.564639      0.313644      0.901385
  H      -4.836278     -0.275776      6.001142
  H      -3.847399     -1.272050      7.078947
  H      -5.755292     -0.633105      8.301729
  H      -4.414350      0.349310      8.979770
  H      -7.135387      5.659704      8.437186
  H     -11.009390      5.511577      6.027680
  H     -12.177264      3.773553      4.651334
  H     -11.161702      1.514183      4.385327
  H      -9.034390      0.948505      5.510480
  N      -1.764275      2.460591      3.331282
  N      -1.340924      3.165055      2.410236
  H      -0.611206      2.677865      1.843919
98
Coordinates from ORCA-job orca E -6706.532520680553
  N      -2.693101      3.364300      5.705779
  Mo     -2.479787      1.546005      4.792270
  N      -3.046412      0.651362      6.596977
  C      -1.949668      0.498971      7.533325
  C      -0.972575      1.653388      7.404379
  N      -0.587554      1.883028      5.976172
  C      -0.206470      3.313336      5.775530
  C      -1.485100      4.176339      5.534975
  C       0.485456      0.920122      5.568303
  C       0.075549      0.232366      4.257254
  N      -1.320599     -0.075684      4.371047
  H      -1.451999      4.572311      4.511797
  H      -1.487112      5.042478      6.215302
  H       0.454969      3.370296      4.902072
  H       0.364860      3.652912      6.655798
  H       0.698882     -0.665038      4.097656
  H       0.252358      0.925133      3.413092
  H       0.555300      0.153520      6.352401
  H       1.452547      1.442077      5.504246
  H      -2.281338      0.472946      8.591008
  H      -1.418094     -0.469463      7.368016
  H      -1.449911      2.569479      7.762033
  H      -0.060750      1.486706      8.002602
  C      -3.479200      3.715220      6.873911
  C      -4.183201      5.062146      6.719175
  O      -5.190268      4.998854      5.684902
  C      -4.878248      5.545869      4.495480
  O      -3.831582      6.120434      4.248456
  C      -6.026629      5.395326      3.517159
  N      -7.097190      4.757792      3.970291
  C      -8.166340      4.661235      3.146805
  N      -8.288945      5.173430      1.935403
  C      -7.191342      5.811957      1.436831
  C      -7.258411      6.331027      0.120345
  C      -6.152842      6.925416     -0.444023
  C      -4.945357      7.025087      0.285935
  C      -4.851271      6.549915      1.576998
  C      -5.974167      5.936277      2.193502
  C      -1.794696     -1.419146      4.508939
  C      -2.683174     -1.841253      3.286329
  O      -3.008104     -0.757996      2.375585
  C      -3.616781      0.337144      2.863560
  O      -4.077714      0.368933      4.055955
  C      -4.040498      1.311339      1.825373
  N      -5.202028      1.910679      2.090660
  C      -5.692781      2.744236      1.149602
  N      -5.138397      3.082352     -0.003042
  C      -3.923243      2.519157     -0.269393
  C      -3.256346      2.876932     -1.467966
  C      -2.036376      2.313134     -1.781043
  C      -1.431832      1.379535     -0.906823
  C      -2.049236      1.023645      0.275946
  C      -3.310895      1.577821      0.623854
  C      -4.160964     -0.218188      6.896476
  C      -5.005220      0.173553      8.111882
  O      -5.730883      1.414761      7.913439
  C      -6.920447      1.318775      7.290405
  O      -7.400712      0.273268      6.885007
  C      -7.606931      2.669406      7.207998
  N      -7.058945      3.646106      7.917636
  C      -7.680008      4.848852      7.911259
  N      -8.813454      5.161287      7.313383
  C      -9.394708      4.172988      6.574719
  C     -10.611331      4.460360      5.905787
  C     -11.215429      3.498215      5.124956
  C     -10.617616      2.223900      4.970458
  C      -9.435963      1.910985      5.612474
  C      -8.803324      2.867884      6.450302
  H      -2.878704      3.808403      7.805115
  H      -4.231250      2.938983      7.049983
  H      -3.483195      5.875564      6.487994
  H      -4.730812      5.286421      7.644416
  H      -9.019330      4.103156      3.542578
  H      -8.197615      6.218442     -0.421735
  H      -6.200375      7.310986     -1.463675
  H      -4.072285      7.484186     -0.180084
  H      -3.922418      6.628148      2.134541
  H      -2.409251     -1.526622      5.417616
  H      -0.960303     -2.138829      4.585251
  H      -3.619440     -2.308477      3.624702
  H      -2.148255     -2.540026      2.630282
  H      -6.677171      3.167669      1.366942
  H      -3.742574      3.606142     -2.118006
  H      -1.529721      2.590229     -2.707594
  H      -0.463404      0.944758     -1.164352
  H      -1.574073      0.314050      0.951035
  H      -4.825341     -0.280439      6.026186
  H      -3.821154     -1.260813      7.105062
  H      -5.723745     -0.626950      8.337513
  H      -4.384931      0.372763      8.995245
  H      -7.183663      5.640815      8.481492
  H     -11.030538      5.460604      6.022755
  H     -12.149141      3.721592      4.604572
  H     -11.095612      1.479434      4.329946
  H      -8.982316      0.930079      5.493005
  N      -1.775278      2.455602      3.321010
  N      -1.338708      3.154283      2.401131
  H      -0.626571      2.652261      1.825534
98
Coordinates from ORCA-job orca E -6706.533352556552
  N      -2.712369      3.359917      5.701472
  Mo     -2.496637      1.543746      4.786339
  N      -3.035405      0.658156      6.603231
  C      -1.929127      0.520013      7.531040
  C      -0.954802      1.675148      7.377807
  N      -0.592750      1.892259      5.943220
  C      -0.223026      3.320472      5.716835
  C      -1.511844      4.182191      5.523694
  C       0.477326      0.930838      5.527834
  C       0.049640      0.224771      4.231108
  N      -1.344854     -0.081201      4.365492
  H      -1.500435      4.603562      4.509571
  H      -1.504737      5.032916      6.223705
  H       0.396780      3.367675      4.812484
  H       0.388336      3.670336      6.565886
  H       0.671240     -0.674278      4.074290
  H       0.217209      0.909227      3.377876
  H       0.570516      0.176130      6.320758
  H       1.440245      1.456866      5.435919
  H      -2.250555      0.504794      8.591857
  H      -1.397409     -0.449312      7.370721
  H      -1.425444      2.593701      7.737656
  H      -0.034862      1.512334      7.964634
  C      -3.492525      3.705965      6.873152
  C      -4.204579      5.049199      6.724635
  O      -5.202770      4.987585      5.681303
  C      -4.889706      5.558355      4.504731
  O      -3.849294      6.151899      4.275579
  C      -6.031068      5.418947      3.515806
  N      -7.112885      4.791679      3.958228
  C      -8.174957      4.706244      3.123219
  N      -8.280590      5.222403      1.911133
  C      -7.170706      5.851341      1.423749
  C      -7.218436      6.372446      0.105854
  C      -6.099130      6.954484     -0.447844
  C      -4.897312      7.039655      0.294815
  C      -4.822386      6.562454      1.587950
  C      -5.959524      5.961300      2.193004
  C      -1.822809     -1.421062      4.515787
  C      -2.746176     -1.842210      3.317002
  O      -3.062884     -0.767014      2.394475
  C      -3.653151      0.339157      2.877632
  O      -4.113969      0.379778      4.070144
  C      -4.064016      1.313310      1.832523
  N      -5.228612      1.909754      2.081000
  C      -5.707074      2.739634      1.129530
  N      -5.138563      3.072467     -0.017403
  C      -3.921523      2.510222     -0.266000
  C      -3.239018      2.863058     -1.456613
  C      -2.014714      2.303521     -1.746904
  C      -1.421124      1.376495     -0.859076
  C      -2.054607      1.022855      0.314607
  C      -3.321470      1.574741      0.640241
  C      -4.140308     -0.220140      6.916758
  C      -4.980221      0.173014      8.134200
  O      -5.715158      1.408035      7.928085
  C      -6.915160      1.301003      7.327390
  O      -7.401489      0.249101      6.943925
  C      -7.598513      2.649520      7.225795
  N      -7.066325      3.627801      7.944791
  C      -7.697937      4.825397      7.933183
  N      -8.828351      5.128862      7.326279
  C      -9.390980      4.139697      6.576137
  C     -10.605416      4.416149      5.901034
  C     -11.188654      3.453155      5.108567
  C     -10.572357      2.189196      4.947604
  C      -9.393931      1.885716      5.597514
  C      -8.784295      2.842786      6.450389
  H      -2.887931      3.802964      7.801097
  H      -4.236738      2.924311      7.051353
  H      -3.509653      5.869212      6.506118
  H      -4.761067      5.260108      7.646619
  H      -9.038214      4.156957      3.511515
  H      -8.153607      6.270770     -0.446671
  H      -6.131593      7.341265     -1.469019
  H      -4.013386      7.488451     -0.163374
  H      -3.898311      6.631407      2.156142
  H      -2.414823     -1.524337      5.439424
  H      -0.990363     -2.144738      4.572144
  H      -3.686255     -2.278234      3.684813
  H      -2.243371     -2.566157      2.664150
  H      -6.691688      3.165532      1.334413
  H      -3.716719      3.587084     -2.117400
  H      -1.495251      2.579049     -2.665929
  H      -0.448060      0.947730     -1.097585
  H      -1.587370      0.320009      1.001420
  H      -4.809180     -0.295381      6.050951
  H      -3.788212     -1.257574      7.132055
  H      -5.691469     -0.630951      8.371600
  H      -4.355269      0.384572      9.011366
  H      -7.214496      5.618814      8.511552
  H     -11.038988      5.409464      6.022922
  H     -12.120159      3.668717      4.584534
  H     -11.033147      1.444747      4.297436
  H      -8.927093      0.911461      5.476051
  N      -1.796324      2.450601      3.312564
  N      -1.352463      3.148134      2.397378
  H      -0.651915      2.645753      1.810396
98
Coordinates from ORCA-job orca E -6706.534128509253
  N      -2.718759      3.363810      5.699998
  Mo     -2.511434      1.550376      4.779799
  N      -3.025189      0.671478      6.606960
  C      -1.911572      0.543241      7.527159
  C      -0.936392      1.695525      7.354447
  N      -0.591388      1.901432      5.915155
  C      -0.228308      3.326642      5.669266
  C      -1.521859      4.191166      5.523008
  C       0.471555      0.937513      5.490611
  C       0.023284      0.217514      4.207240
  N      -1.370795     -0.081457      4.360146
  H      -1.526358      4.643047      4.521243
  H      -1.502154      5.022068      6.246589
  H       0.354050      3.365950      4.739935
  H       0.418813      3.681317      6.489655
  H       0.640270     -0.684886      4.050429
  H       0.184072      0.894436      3.346540
  H       0.585619      0.193034      6.290307
  H       1.432138      1.462740      5.371872
  H      -2.225015      0.538092      8.590159
  H      -1.382309     -0.428232      7.371302
  H      -1.398148      2.618103      7.716100
  H      -0.011153      1.532556      7.932738
  C      -3.496787      3.704142      6.873922
  C      -4.222040      5.042783      6.732832
  O      -5.210495      4.979101      5.679869
  C      -4.899408      5.578301      4.516243
  O      -3.870556      6.202958      4.303418
  C      -6.032341      5.438638      3.519439
  N      -7.120052      4.820393      3.957147
  C      -8.177749      4.742153      3.116488
  N      -8.272567      5.256229      1.903522
  C      -7.156166      5.876477      1.421860
  C      -7.193728      6.398273      0.105621
  C      -6.068811      6.973953     -0.439894
  C      -4.870976      7.049992      0.308800
  C      -4.805694      6.570789      1.600326
  C      -5.949710      5.978547      2.197724
  C      -1.854139     -1.417121      4.521132
  C      -2.815340     -1.832187      3.348355
  O      -3.121391     -0.764590      2.415075
  C      -3.690251      0.356429      2.891636
  O      -4.149810      0.412564      4.085243
  C      -4.085382      1.330339      1.841344
  N      -5.245941      1.945727      2.080522
  C      -5.704393      2.779840      1.122114
  N      -5.121882      3.096450     -0.022976
  C      -3.911699      2.512365     -0.263109
  C      -3.214358      2.845383     -1.452278
  C      -1.996852      2.259644     -1.733490
  C      -1.423398      1.328427     -0.835879
  C      -2.070505      0.996692      0.338344
  C      -3.332708      1.572402      0.651765
  C      -4.120245     -0.216210      6.930253
  C      -4.956818      0.172386      8.151648
  O      -5.702102      1.401850      7.943452
  C      -6.908830      1.285983      7.359260
  O      -7.397492      0.228994      6.991384
  C      -7.596636      2.629896      7.250288
  N      -7.088519      3.608855      7.987645
  C      -7.736655      4.798392      7.974008
  N      -8.861550      5.090613      7.351298
  C      -9.396070      4.101892      6.578712
  C     -10.602586      4.366827      5.882765
  C     -11.153609      3.405405      5.063943
  C     -10.513053      2.154828      4.897928
  C      -9.344004      1.860972      5.570565
  C      -8.768181      2.816268      6.450401
  H      -2.890692      3.804468      7.800776
  H      -4.232813      2.915593      7.053446
  H      -3.534133      5.874353      6.528796
  H      -4.791073      5.237382      7.652439
  H      -9.046593      4.200960      3.501404
  H      -8.126040      6.303899     -0.451883
  H      -6.094044      7.362953     -1.458993
  H      -3.983044      7.493488     -0.143676
  H      -3.885112      6.634123      2.174102
  H      -2.419745     -1.518526      5.460559
  H      -1.024960     -2.146043      4.553454
  H      -3.758472     -2.234303      3.744659
  H      -2.347540     -2.581951      2.699736
  H      -6.684618      3.221742      1.317683
  H      -3.676562      3.573366     -2.120473
  H      -1.466389      2.517539     -2.652800
  H      -0.454406      0.879037     -1.068259
  H      -1.619025      0.289934      1.032603
  H      -4.792579     -0.301945      6.067923
  H      -3.755092     -1.248947      7.148569
  H      -5.660607     -0.636201      8.395840
  H      -4.328466      0.391677      9.024820
  H      -7.272716      5.593418      8.566699
  H     -11.054903      5.351009      6.008724
  H     -12.078208      3.613222      4.523176
  H     -10.947350      1.412831      4.226083
  H      -8.858990      0.896286      5.446092
  N      -1.806942      2.453742      3.303376
  N      -1.346595      3.149102      2.396210
  H      -0.660526      2.638236      1.794969
98
Coordinates from ORCA-job orca E -6706.534895022543
  N      -2.729676      3.362772      5.704241
  Mo     -2.524389      1.551849      4.778363
  N      -3.012149      0.675886      6.613704
  C      -1.890852      0.559046      7.525673
  C      -0.919606      1.711925      7.335016
  N      -0.592189      1.910611      5.890726
  C      -0.237966      3.335788      5.632729
  C      -1.536873      4.198116      5.532480
  C       0.468284      0.948776      5.455241
  C       0.002844      0.217213      4.183711
  N      -1.389585     -0.081822      4.354762
  H      -1.554874      4.682721      4.545594
  H      -1.507206      5.006068      6.281380
  H       0.310610      3.374098      4.683380
  H       0.438595      3.691634      6.428623
  H       0.618750     -0.685483      4.024713
  H       0.152772      0.887848      3.316747
  H       0.604555      0.212878      6.259346
  H       1.423604      1.477644      5.313180
  H      -2.196575      0.562256      8.590999
  H      -1.360784     -0.412777      7.373840
  H      -1.376103      2.636861      7.698479
  H       0.012404      1.552204      7.903398
  C      -3.510929      3.695704      6.878534
  C      -4.238956      5.034047      6.744337
  O      -5.219011      4.981094      5.681667
  C      -4.906774      5.603058      4.530309
  O      -3.873753      6.221485      4.331115
  C      -6.032001      5.474048      3.522996
  N      -7.132545      4.873041      3.954069
  C      -8.183131      4.805251      3.103027
  N      -8.258986      5.312667      1.885683
  C      -7.130194      5.916763      1.411534
  C      -7.149320      6.434304      0.093172
  C      -6.012922      6.996372     -0.443160
  C      -4.821311      7.060786      0.316398
  C      -4.773233      6.583440      1.609557
  C      -5.929881      6.007058      2.198750
  C      -1.866484     -1.417499      4.525956
  C      -2.867822     -1.828385      3.382690
  O      -3.170060     -0.769124      2.440686
  C      -3.721010      0.364328      2.911622
  O      -4.178121      0.431570      4.106077
  C      -4.112195      1.332156      1.855730
  N      -5.271581      1.951844      2.086257
  C      -5.723279      2.781775      1.120884
  N      -5.135868      3.089931     -0.023055
  C      -3.928983      2.499221     -0.256678
  C      -3.227357      2.822370     -1.445953
  C      -2.012973      2.228990     -1.720877
  C      -1.447449      1.299609     -0.816617
  C      -2.098587      0.977267      0.357799
  C      -3.357286      1.560938      0.664417
  C      -4.097503     -0.218478      6.949033
  C      -4.933689      0.175860      8.167251
  O      -5.682170      1.398962      7.945990
  C      -6.888919      1.273216      7.367401
  O      -7.383080      0.210798      7.026432
  C      -7.587975      2.610649      7.258420
  N      -7.101704      3.590684      8.008348
  C      -7.768158      4.770976      7.996534
  N      -8.891318      5.050720      7.365494
  C      -9.400433      4.061956      6.576349
  C     -10.601862      4.315188      5.865343
  C     -11.123380      3.355539      5.025425
  C     -10.456746      2.119559      4.852614
  C      -9.293964      1.836027      5.541744
  C      -8.749754      2.788620      6.443226
  H      -2.905982      3.794949      7.807646
  H      -4.244443      2.903900      7.054788
  H      -3.552624      5.869671      6.554938
  H      -4.814651      5.216824      7.662330
  H      -9.062577      4.278310      3.483120
  H      -8.077367      6.349413     -0.472855
  H      -6.024409      7.383748     -1.463192
  H      -3.924704      7.493801     -0.129429
  H      -3.858131      6.639892      2.192133
  H      -2.399877     -1.526501      5.483026
  H      -1.035060     -2.144287      4.528290
  H      -3.810061     -2.201723      3.807961
  H      -2.432488     -2.599758      2.737488
  H      -6.702251      3.227658      1.309664
  H      -3.684296      3.548107     -2.119835
  H      -1.478326      2.478618     -2.639923
  H      -0.480403      0.844940     -1.045091
  H      -1.652951      0.272182      1.057231
  H      -4.771437     -0.318814      6.089459
  H      -3.721750     -1.244780      7.177015
  H      -5.634467     -0.632132      8.418476
  H      -4.305854      0.406209      9.037546
  H      -7.322161      5.568435      8.598932
  H     -11.073304      5.289693      5.995177
  H     -12.043682      3.555236      4.471199
  H     -10.866118      1.380830      4.161468
  H      -8.789338      0.882228      5.411976
  N      -1.827579      2.460746      3.301233
  N      -1.356689      3.163553      2.407555
  H      -0.678703      2.656509      1.794199
98
Coordinates from ORCA-job orca E -6706.535678494113
  N      -2.727175      3.371992      5.708082
  Mo     -2.538364      1.561093      4.779699
  N      -3.001179      0.682951      6.619932
  C      -1.872459      0.573764      7.522667
  C      -0.903581      1.725701      7.317809
  N      -0.590969      1.918616      5.869151
  C      -0.237614      3.342449      5.602674
  C      -1.534560      4.208306      5.543895
  C       0.462581      0.954622      5.420386
  C      -0.022214      0.217136      4.159227
  N      -1.413782     -0.077884      4.349619
  H      -1.560786      4.725121      4.573561
  H      -1.492513      4.990338      6.318634
  H       0.281248      3.378511      4.637558
  H       0.464738      3.694479      6.377592
  H       0.588253     -0.688739      3.997637
  H       0.118915      0.880061      3.285417
  H       0.614617      0.223695      6.226375
  H       1.414378      1.483976      5.259216
  H      -2.171059      0.583506      8.590351
  H      -1.342282     -0.398406      7.372886
  H      -1.353782      2.654141      7.682047
  H       0.034372      1.566211      7.876717
  C      -3.511486      3.700475      6.883254
  C      -4.244186      5.036742      6.753006
  O      -5.220255      4.987447      5.686751
  C      -4.908518      5.624976      4.545513
  O      -3.879841      6.255231      4.358576
  C      -6.029611      5.507102      3.532520
  N      -7.139467      4.918725      3.957206
  C      -8.183279      4.857306      3.096445
  N      -8.242940      5.356387      1.874703
  C      -7.105203      5.948123      1.407702
  C      -7.106733      6.456999      0.084998
  C      -5.960980      7.008303     -0.442967
  C      -4.777480      7.069964      0.329626
  C      -4.746121      6.599385      1.626736
  C      -5.912126      6.034027      2.206932
  C      -1.882785     -1.415355      4.530933
  C      -2.930097     -1.819088      3.422817
  O      -3.224023     -0.768430      2.470018
  C      -3.755868      0.381173      2.933433
  O      -4.213335      0.462145      4.129614
  C      -4.141912      1.339884      1.869121
  N      -5.297543      1.969765      2.090446
  C      -5.739991      2.795847      1.117412
  N      -5.147241      3.091996     -0.026610
  C      -3.945319      2.488571     -0.253589
  C      -3.239095      2.799131     -1.443127
  C      -2.028781      2.196352     -1.710219
  C      -1.473656      1.268395     -0.798248
  C      -2.129771      0.956578      0.375535
  C      -3.382400      1.552069      0.675229
  C      -4.075797     -0.220004      6.964308
  C      -4.912998      0.176306      8.181052
  O      -5.668719      1.392787      7.950350
  C      -6.877623      1.256918      7.379280
  O      -7.366526      0.190338      7.043695
  C      -7.582667      2.589870      7.259947
  N      -7.119381      3.571127      8.022466
  C      -7.801730      4.742567      8.009060
  N      -8.921499      5.009786      7.367262
  C      -9.405227      4.019764      6.563711
  C     -10.602045      4.258951      5.841488
  C     -11.095402      3.298326      4.985144
  C     -10.402186      2.077087      4.805610
  C      -9.245216      1.806386      5.508073
  C      -8.732451      2.758416      6.427642
  H      -2.905099      3.799545      7.811988
  H      -4.243975      2.907572      7.061335
  H      -3.559908      5.874867      6.571722
  H      -4.823832      5.212343      7.669425
  H      -9.070947      4.342111      3.472155
  H      -8.028913      6.374732     -0.491150
  H      -5.958679      7.389387     -1.466644
  H      -3.873739      7.494971     -0.109912
  H      -3.837619      6.654605      2.219339
  H      -2.378394     -1.536352      5.508264
  H      -1.049406     -2.138759      4.496594
  H      -3.871371     -2.157282      3.880353
  H      -2.533037     -2.616123      2.781904
  H      -6.716155      3.253320      1.301428
  H      -3.688870      3.523523     -2.123502
  H      -1.489214      2.436969     -2.627859
  H      -0.510090      0.807435     -1.021062
  H      -1.691719      0.253323      1.081350
  H      -4.750979     -0.333582      6.107035
  H      -3.688511     -1.240325      7.198793
  H      -5.609121     -0.633674      8.438250
  H      -4.285846      0.416411      9.049252
  H      -7.374078      5.542987      8.620941
  H     -11.093643      5.223257      5.975274
  H     -12.012679      3.486734      4.422420
  H     -10.788234      1.339795      4.099058
  H      -8.721371      0.862915      5.374709
  N      -1.853225      2.474588      3.299500
  N      -1.374848      3.184372      2.416269
  H      -0.704524      2.677796      1.794160
98
Coordinates from ORCA-job orca E -6706.536417367416
  N      -2.729596      3.377835      5.714184
  Mo     -2.551369      1.566336      4.784785
  N      -2.989298      0.681240      6.627037
  C      -1.853458      0.579728      7.520975
  C      -0.890831      1.734570      7.307110
  N      -0.591763      1.928011      5.855464
  C      -0.243179      3.352792      5.586152
  C      -1.539065      4.218501      5.563204
  C       0.458999      0.967505      5.392553
  C      -0.038709      0.229197      4.137697
  N      -1.428112     -0.070851      4.344919
  H      -1.571412      4.766757      4.610707
  H      -1.492426      4.973295      6.364417
  H       0.251750      3.390574      4.608862
  H       0.477550      3.701305      6.345332
  H       0.570616     -0.676611      3.971823
  H       0.091271      0.887743      3.259427
  H       0.623799      0.237360      6.196626
  H       1.405798      1.502340      5.219834
  H      -2.145980      0.591948      8.590585
  H      -1.319405     -0.390369      7.371362
  H      -1.339503      2.663083      7.673014
  H       0.053309      1.577482      7.856708
  C      -3.523623      3.698271      6.886942
  C      -4.256568      5.034620      6.763225
  O      -5.226354      4.993708      5.690615
  C      -4.913322      5.651919      4.560396
  O      -3.887351      6.290937      4.387504
  C      -6.028036      5.541029      3.539546
  N      -7.148927      4.970115      3.960786
  C      -8.188788      4.919237      3.094424
  N      -8.233985      5.411497      1.869998
  C      -7.085574      5.985736      1.406929
  C      -7.072460      6.489217      0.083041
  C      -5.916399      7.026192     -0.439549
  C      -4.737103      7.078756      0.339980
  C      -4.719863      6.612882      1.638307
  C      -5.896235      6.061728      2.212767
  C      -1.878608     -1.413757      4.528989
  C      -2.972489     -1.808390      3.461958
  O      -3.264592     -0.766836      2.500650
  C      -3.784926      0.391743      2.958448
  O      -4.241061      0.477532      4.154667
  C      -4.172907      1.340041      1.886521
  N      -5.323024      1.979036      2.104743
  C      -5.760682      2.802984      1.127760
  N      -5.167795      3.088540     -0.019134
  C      -3.971036      2.472929     -0.244473
  C      -3.266115      2.769724     -1.438112
  C      -2.061935      2.154063     -1.705403
  C      -1.513036      1.227157     -0.788851
  C      -2.168363      0.928658      0.389048
  C      -3.412964      1.537858      0.688571
  C      -4.054667     -0.228415      6.981429
  C      -4.893318      0.173670      8.196344
  O      -5.654222      1.385777      7.955604
  C      -6.863027      1.241263      7.386305
  O      -7.347150      0.171428      7.052989
  C      -7.571114      2.572055      7.254346
  N      -7.129992      3.552838      8.030450
  C      -7.822606      4.717727      8.011891
  N      -8.935282      4.976296      7.354440
  C      -9.394875      3.986565      6.536163
  C     -10.583785      4.215145      5.800316
  C     -11.051844      3.253977      4.930346
  C     -10.338096      2.044564      4.748646
  C      -9.189255      1.783727      5.465277
  C      -8.705550      2.734283      6.401470
  H      -2.920389      3.792363      7.818895
  H      -4.257673      2.904164      7.058904
  H      -3.570948      5.876188      6.594937
  H      -4.842613      5.200861      7.678958
  H      -9.087383      4.421356      3.469206
  H      -7.992038      6.415193     -0.498108
  H      -5.903189      7.404050     -1.463279
  H      -3.825608      7.493732     -0.095024
  H      -3.815109      6.663221      2.236908
  H      -2.330723     -1.558432      5.524686
  H      -1.039914     -2.126598      4.448549
  H      -3.907343     -2.112715      3.953517
  H      -2.614775     -2.627333      2.825869
  H      -6.733525      3.268797      1.310288
  H      -3.711594      3.492928     -2.122589
  H      -1.522986      2.382837     -2.626430
  H      -0.555450      0.754661     -1.013162
  H      -1.735834      0.225900      1.098547
  H      -4.731328     -0.355160      6.126827
  H      -3.657562     -1.243247      7.223413
  H      -5.586702     -0.637160      8.459622
  H      -4.266872      0.422388      9.063115
  H      -7.413968      5.519068      8.636289
  H     -11.091910      5.170765      5.935262
  H     -11.964239      3.432623      4.359516
  H     -10.704245      1.308965      4.030862
  H      -8.651380      0.848099      5.332279
  N      -1.882956      2.485562      3.300258
  N      -1.402145      3.202906      2.423721
  H      -0.740434      2.694175      1.794454
98
Coordinates from ORCA-job orca E -6706.537103439034
  N      -2.730038      3.391082      5.720499
  Mo     -2.565346      1.579582      4.788954
  N      -2.980738      0.684072      6.631271
  C      -1.835734      0.586527      7.514038
  C      -0.877815      1.743511      7.291467
  N      -0.594607      1.939158      5.836968
  C      -0.247590      3.362992      5.563948
  C      -1.540058      4.232562      5.576310
  C       0.450682      0.980289      5.359148
  C      -0.060753      0.245337      4.108940
  N      -1.447513     -0.057375      4.333792
  H      -1.581855      4.806591      4.639320
  H      -1.487187      4.963383      6.399006
  H       0.223399      3.399936      4.574571
  H       0.492257      3.707068      6.306718
  H       0.545756     -0.661300      3.938152
  H       0.059481      0.901274      3.227328
  H       0.622565      0.247580      6.159321
  H       1.394346      1.517995      5.178202
  H      -2.118732      0.598786      8.586449
  H      -1.299464     -0.381638      7.360935
  H      -1.324481      2.671215      7.661099
  H       0.072872      1.587254      7.829781
  C      -3.526105      3.705001      6.893174
  C      -4.257192      5.041410      6.775083
  O      -5.222815      5.007454      5.699262
  C      -4.908260      5.680864      4.579039
  O      -3.889512      6.336080      4.420877
  C      -6.016242      5.574570      3.550877
  N      -7.144604      5.014092      3.965069
  C      -8.176677      4.964048      3.089036
  N      -8.205027      5.444099      1.858843
  C      -7.048457      6.006586      1.402743
  C      -7.016442      6.494873      0.072262
  C      -5.852455      7.021865     -0.441953
  C      -4.683222      7.079532      0.352676
  C      -4.683828      6.627506      1.656965
  C      -5.868466      6.085581      2.222119
  C      -1.885097     -1.405143      4.522087
  C      -3.026003     -1.790078      3.501269
  O      -3.312204     -0.759488      2.528626
  C      -3.817929      0.410006      2.980747
  O      -4.272025      0.505793      4.179326
  C      -4.203797      1.349271      1.899957
  N      -5.348321      1.997261      2.113246
  C      -5.781067      2.816019      1.129393
  N      -5.186607      3.089057     -0.020199
  C      -3.993213      2.463498     -0.239546
  C      -3.287433      2.745236     -1.436097
  C      -2.087160      2.119309     -1.699033
  C      -1.543773      1.196373     -0.775156
  C      -2.200927      0.911540      0.405369
  C      -3.441017      1.532401      0.700590
  C      -4.037216     -0.232491      6.995360
  C      -4.876393      0.170821      8.210999
  O      -5.646630      1.377335      7.965424
  C      -6.853678      1.220341      7.395152
  O      -7.330899      0.145870      7.067856
  C      -7.573675      2.546224      7.259692
  N      -7.152393      3.526705      8.046302
  C      -7.855337      4.685040      8.024649
  N      -8.962950      4.935547      7.354669
  C      -9.401438      3.945992      6.524866
  C     -10.582730      4.165681      5.774607
  C     -11.026664      3.205456      4.890878
  C     -10.294950      2.006903      4.708151
  C      -9.153476      1.754158      5.439067
  C      -8.696153      2.702094      6.390930
  H      -2.922456      3.791906      7.824961
  H      -4.261774      2.912800      7.060243
  H      -3.570188      5.881520      6.614815
  H      -4.845463      5.202566      7.688553
  H      -9.082273      4.475368      3.458635
  H      -7.928828      6.417459     -0.520235
  H      -5.824832      7.387756     -1.470855
  H      -3.765539      7.487471     -0.074875
  H      -3.786582      6.682201      2.267070
  H      -2.293267     -1.569951      5.535622
  H      -1.046188     -2.110369      4.394134
  H      -3.953495     -2.053940      4.029004
  H      -2.713770     -2.634004      2.872800
  H      -6.751220      3.287139      1.306385
  H      -3.728312      3.465220     -2.126940
  H      -1.547686      2.336555     -2.622691
  H      -0.590223      0.714267     -0.996609
  H      -1.773398      0.212102      1.121060
  H      -4.716579     -0.369858      6.144573
  H      -3.630380     -1.242588      7.241291
  H      -5.564280     -0.643573      8.479845
  H      -4.249949      0.427840      9.075459
  H      -7.462177      5.487776      8.656527
  H     -11.104939      5.113712      5.908769
  H     -11.933217      3.376767      4.308591
  H     -10.641930      1.273979      3.978430
  H      -8.602628      0.826213      5.305415
  N      -1.913371      2.503260      3.300142
  N      -1.433651      3.223534      2.423690
  H      -0.781141      2.708650      1.790102
98
Coordinates from ORCA-job orca E -6706.537807687548
  N      -2.742634      3.398000      5.724570
  Mo     -2.581522      1.588012      4.789653
  N      -2.973351      0.681654      6.631577
  C      -1.819849      0.591226      7.504683
  C      -0.870722      1.754528      7.274711
  N      -0.602290      1.953477      5.818260
  C      -0.263571      3.377211      5.540657
  C      -1.555595      4.245259      5.587896
  C       0.441276      1.000120      5.327873
  C      -0.078667      0.268743      4.079645
  N      -1.461506     -0.042868      4.318387
  H      -1.609211      4.844302      4.666688
  H      -1.500189      4.953181      6.430595
  H       0.183368      3.414620      4.539819
  H       0.493092      3.722119      6.266093
  H       0.529828     -0.635596      3.902585
  H       0.030448      0.925972      3.197388
  H       0.619667      0.263754      6.123294
  H       1.381357      1.542606      5.141922
  H      -2.094009      0.601924      8.579243
  H      -1.278271     -0.373535      7.348196
  H      -1.321330      2.678765      7.648426
  H       0.085979      1.603570      7.803835
  C      -3.542078      3.696924      6.898800
  C      -4.277350      5.033207      6.793119
  O      -5.236298      5.006593      5.711464
  C      -4.919637      5.699332      4.603862
  O      -3.906757      6.366474      4.463286
  C      -6.017867      5.597035      3.565011
  N      -7.155658      5.049847      3.970226
  C      -8.179453      5.005264      3.084157
  N      -8.189385      5.477087      1.850412
  C      -7.022460      6.025329      1.403734
  C      -6.971543      6.505141      0.071326
  C      -5.798019      7.019989     -0.432094
  C      -4.637146      7.074006      0.375498
  C      -4.655915      6.630138      1.681652
  C      -5.851138      6.099954      2.235631
  C      -1.883008     -1.396414      4.509764
  C      -3.069585     -1.774642      3.542607
  O      -3.355066     -0.759955      2.554533
  C      -3.849373      0.418310      2.998886
  O      -4.299456      0.523784      4.198808
  C      -4.233346      1.349225      1.908903
  N      -5.371137      2.008329      2.119909
  C      -5.799331      2.823331      1.130142
  N      -5.203178      3.083600     -0.021766
  C      -4.013928      2.446635     -0.236595
  C      -3.305934      2.715919     -1.433945
  C      -2.108788      2.081937     -1.690669
  C      -1.570776      1.161994     -0.760300
  C      -2.231225      0.887791      0.420402
  C      -3.468501      1.518582      0.709873
  C      -4.021501     -0.239436      7.008132
  C      -4.855042      0.169089      8.226249
  O      -5.630708      1.372459      7.976978
  C      -6.837552      1.207507      7.407558
  O      -7.309955      0.130798      7.080885
  C      -7.561698      2.531126      7.264801
  N      -7.161363      3.509184      8.065484
  C      -7.871580      4.662856      8.038598
  N      -8.969273      4.909581      7.350088
  C      -9.385611      3.922465      6.506001
  C     -10.554604      4.137359      5.735038
  C     -10.973865      3.179556      4.836907
  C     -10.230638      1.987731      4.660820
  C      -9.101377      1.738708      5.412381
  C      -8.668891      2.684250      6.377319
  H      -2.940413      3.773259      7.832415
  H      -4.275730      2.900229      7.054249
  H      -3.591250      5.877443      6.645755
  H      -4.871450      5.182834      7.705326
  H      -9.094158      4.528546      3.446878
  H      -7.878085      6.431078     -0.530797
  H      -5.756258      7.379145     -1.462178
  H      -3.711737      7.473172     -0.042702
  H      -3.765213      6.683771      2.302062
  H      -2.243142     -1.582604      5.538654
  H      -1.045143     -2.091423      4.330709
  H      -3.984644     -1.994666      4.109001
  H      -2.806013     -2.644884      2.928967
  H      -6.764170      3.306970      1.306409
  H      -3.741285      3.434822     -2.129775
  H      -1.567850      2.291289     -2.614755
  H      -0.619910      0.673317     -0.975867
  H      -1.808121      0.192150      1.142493
  H      -4.706096     -0.386922      6.163460
  H      -3.606191     -1.244626      7.258716
  H      -5.538874     -0.645645      8.504030
  H      -4.224816      0.433929      9.085618
  H      -7.496084      5.464409      8.682756
  H     -11.086920      5.080242      5.864517
  H     -11.870373      3.347305      4.237634
  H     -10.558210      1.257702      3.919406
  H      -8.541487      0.815625      5.282901
  N      -1.945543      2.515625      3.296223
  N      -1.470511      3.235533      2.415180
  H      -0.826374      2.715308      1.778223
98
Coordinates from ORCA-job orca E -6706.538606182220
  N      -2.754767      3.409313      5.728495
  Mo     -2.595995      1.600823      4.790482
  N      -2.967729      0.682583      6.630339
  C      -1.806348      0.596641      7.494457
  C      -0.864910      1.766311      7.260040
  N      -0.609443      1.969959      5.802525
  C      -0.277947      3.392774      5.521304
  C      -1.568543      4.259467      5.595940
  C       0.432144      1.020992      5.301467
  C      -0.094574      0.296229      4.051874
  N      -1.473606     -0.023515      4.300503
  H      -1.633240      4.876064      4.686596
  H      -1.509888      4.951596      6.451536
  H       0.149441      3.430409      4.511907
  H       0.491729      3.740175      6.232078
  H       0.516419     -0.604977      3.866509
  H       0.005503      0.958611      3.172230
  H       0.612255      0.278220      6.090574
  H       1.371056      1.565177      5.114770
  H      -2.071316      0.602973      8.570961
  H      -1.260905     -0.364993      7.331939
  H      -1.320849      2.685564      7.639906
  H       0.096382      1.620043      7.781625
  C      -3.553549      3.695615      6.903475
  C      -4.288006      5.033965      6.811715
  O      -5.239865      5.019115      5.723310
  C      -4.921935      5.732271      4.627962
  O      -3.916409      6.412923      4.504827
  C      -6.008947      5.629538      3.577980
  N      -7.154730      5.095023      3.975591
  C      -8.170103      5.053392      3.080896
  N      -8.163511      5.516418      1.844107
  C      -6.987029      6.050428      1.405246
  C      -6.917598      6.517008      0.069672
  C      -5.733391      7.014156     -0.426990
  C      -4.580224      7.065516      0.391488
  C      -4.617619      6.636435      1.701572
  C      -5.823883      6.121661      2.247630
  C      -1.882458     -1.381609      4.495746
  C      -3.110260     -1.754114      3.585492
  O      -3.399430     -0.758335      2.579551
  C      -3.881546      0.428087      3.015570
  O      -4.324566      0.546039      4.216582
  C      -4.262681      1.352434      1.918143
  N      -5.393872      2.021976      2.127450
  C      -5.818751      2.831041      1.130631
  N      -5.222052      3.075846     -0.024407
  C      -4.036648      2.429516     -0.234380
  C      -3.327055      2.682908     -1.434497
  C      -2.133635      2.038470     -1.685922
  C      -1.599471      1.124579     -0.747167
  C      -2.262264      0.865591      0.436228
  C      -3.497942      1.506181      0.719532
  C      -4.007227     -0.245025      7.015359
  C      -4.837493      0.160756      8.236455
  O      -5.620907      1.360663      7.989305
  C      -6.824994      1.187794      7.415468
  O      -7.289059      0.108741      7.085099
  C      -7.558031      2.506825      7.272044
  N      -7.178215      3.482285      8.086309
  C      -7.897838      4.630356      8.056703
  N      -8.986753      4.873435      7.352802
  C      -9.381567      3.889470      6.495159
  C     -10.540182      4.099530      5.707211
  C     -10.935399      3.145102      4.795144
  C     -10.180697      1.960175      4.622437
  C      -9.061559      1.714884      5.390795
  C      -8.652489      2.657495      6.368948
  H      -2.953966      3.757720      7.839099
  H      -4.286623      2.897265      7.044243
  H      -3.600859      5.879746      6.678076
  H      -4.886394      5.173187      7.722645
  H      -9.092603      4.587724      3.437856
  H      -7.818560      6.444975     -0.540434
  H      -5.677046      7.360946     -1.460220
  H      -3.645606      7.450754     -0.020597
  H      -3.732686      6.689156      2.329947
  H      -2.195423     -1.583661      5.537257
  H      -1.049597     -2.068365      4.267940
  H      -4.009254     -1.927604      4.190193
  H      -2.896097     -2.650339      2.992367
  H      -6.778337      3.324541      1.304657
  H      -3.757589      3.398493     -2.136429
  H      -1.592684      2.235974     -2.613412
  H      -0.650964      0.626838     -0.957194
  H      -1.842613      0.175260      1.165807
  H      -4.695784     -0.400031      6.175498
  H      -3.582311     -1.245526      7.267127
  H      -5.515269     -0.657361      8.518789
  H      -4.205389      0.431395      9.092207
  H      -7.540291      5.430134      8.712870
  H     -11.082420      5.037137      5.835025
  H     -11.822945      3.309802      4.181768
  H     -10.489519      1.232649      3.870481
  H      -8.492402      0.796789      5.263409
  N      -1.977213      2.529480      3.290269
  N      -1.514741      3.241463      2.395602
  H      -0.878596      2.714414      1.756202
98
Coordinates from ORCA-job orca E -6706.539431227820
  N      -2.771376      3.422964      5.735337
  Mo     -2.612020      1.617479      4.791538
  N      -2.962189      0.684362      6.627466
  C      -1.792169      0.601866      7.481480
  C      -0.859092      1.779217      7.243908
  N      -0.617956      1.990001      5.785435
  C      -0.296322      3.412996      5.501534
  C      -1.586088      4.276505      5.603299
  C       0.422604      1.046439      5.272528
  C      -0.111667      0.329527      4.020120
  N      -1.486166      0.000655      4.278227
  H      -1.663098      4.907883      4.704529
  H      -1.520571      4.956869      6.468004
  H       0.111337      3.453134      4.484220
  H       0.485723      3.764615      6.197185
  H       0.503048     -0.566697      3.822325
  H      -0.021762      1.000953      3.146186
  H       0.605668      0.296025      6.053828
  H       1.360872      1.591496      5.085557
  H      -2.046593      0.601074      8.560194
  H      -1.243637     -0.356480      7.309706
  H      -1.320985      2.691658      7.633443
  H       0.106770      1.637834      7.757722
  C      -3.566375      3.694069      6.914143
  C      -4.305838      5.031463      6.838037
  O      -5.252156      5.025535      5.744504
  C      -4.934622      5.758254      4.662081
  O      -3.937070      6.452365      4.556705
  C      -6.008282      5.653956      3.599057
  N      -7.162580      5.130445      3.985157
  C      -8.165355      5.088548      3.076838
  N      -8.137522      5.540013      1.835727
  C      -6.950688      6.061036      1.408870
  C      -6.857756      6.510788      0.069196
  C      -5.662885      6.992028     -0.414877
  C      -4.522533      7.046368      0.421132
  C      -4.583268      6.635378      1.735779
  C      -5.800534      6.133644      2.268047
  C      -1.881932     -1.361467      4.481647
  C      -3.152970     -1.730553      3.639095
  O      -3.453915     -0.760618      2.609384
  C      -3.920402      0.436535      3.032887
  O      -4.351618      0.574162      4.235693
  C      -4.297480      1.354709      1.928735
  N      -5.422517      2.035355      2.135991
  C      -5.844128      2.837565      1.131571
  N      -5.247925      3.064303     -0.026850
  C      -4.066673      2.410151     -0.232123
  C      -3.354721      2.649886     -1.433675
  C      -2.163899      1.997996     -1.677770
  C      -1.632926      1.091028     -0.730134
  C      -2.298471      0.845083      0.454479
  C      -3.534215      1.492087      0.729969
  C      -3.992355     -0.251426      7.017598
  C      -4.819369      0.145706      8.242331
  O      -5.609317      1.342589      8.000884
  C      -6.808206      1.166426      7.417712
  O      -7.267034      0.086840      7.083062
  C      -7.545373      2.481785      7.274710
  N      -7.184623      3.451533      8.104830
  C      -7.910726      4.595899      8.072676
  N      -8.986878      4.841116      7.350496
  C      -9.360703      3.864341      6.475991
  C     -10.505170      4.076544      5.667407
  C     -10.877657      3.129469      4.738671
  C     -10.116914      1.948088      4.570384
  C      -9.011731      1.699947      5.358651
  C      -8.624447      2.636170      6.352973
  H      -2.967909      3.744124      7.850500
  H      -4.295676      2.891049      7.041831
  H      -3.620827      5.880619      6.716839
  H      -4.907498      5.159044      7.748037
  H      -9.095956      4.632281      3.424479
  H      -7.749661      6.437080     -0.553701
  H      -5.588355      7.324057     -1.451437
  H      -3.579296      7.419865      0.020272
  H      -3.708436      6.692682      2.377335
  H      -2.140247     -1.574104      5.536263
  H      -1.058177     -2.040934      4.203336
  H      -4.029359     -1.849291      4.287576
  H      -2.993153     -2.655928      3.075824
  H      -6.798919      3.339114      1.301509
  H      -3.780836      3.362458     -2.141291
  H      -1.621929      2.186117     -2.606920
  H      -0.684721      0.588257     -0.931897
  H      -1.880680      0.162024      1.192280
  H      -4.684433     -0.410501      6.181298
  H      -3.557477     -1.248110      7.266492
  H      -5.490911     -0.676803      8.525612
  H      -4.186208      0.419662      9.095692
  H      -7.571509      5.390492      8.744325
  H     -11.052668      5.011279      5.794027
  H     -11.753444      3.296788      4.109101
  H     -10.407659      1.224995      3.806685
  H      -8.437549      0.784558      5.234197
  N      -2.013232      2.546108      3.283698
  N      -1.572863      3.243687      2.367815
  H      -0.943737      2.711773      1.724163
98
Coordinates from ORCA-job orca E -6706.540220534896
  N      -2.780973      3.436066      5.740781
  Mo     -2.623239      1.633865      4.790407
  N      -2.957551      0.689114      6.622883
  C      -1.782136      0.609224      7.469959
  C      -0.855126      1.791298      7.229922
  N      -0.624300      2.006166      5.770495
  C      -0.307859      3.429860      5.485979
  C      -1.595980      4.291147      5.610511
  C       0.414761      1.065280      5.248905
  C      -0.125558      0.356496      3.993736
  N      -1.497359      0.020860      4.256784
  H      -1.679852      4.936149      4.721904
  H      -1.522243      4.959962      6.483651
  H       0.084278      3.473297      4.462919
  H       0.484494      3.781988      6.169798
  H       0.491399     -0.535371      3.783753
  H      -0.043139      1.036508      3.126038
  H       0.599751      0.309483      6.024572
  H       1.353306      1.609734      5.062192
  H      -2.030116      0.604664      8.550190
  H      -1.231942     -0.347346      7.292849
  H      -1.320211      2.699864      7.625497
  H       0.114011      1.653465      7.738410
  C      -3.573968      3.696339      6.923157
  C      -4.316309      5.032782      6.858925
  O      -5.255044      5.034856      5.758444
  C      -4.934374      5.782166      4.687180
  O      -3.942549      6.487119      4.598413
  C      -5.996533      5.680409      3.612686
  N      -7.160540      5.171175      3.989518
  C      -8.153357      5.134905      3.070308
  N      -8.107018      5.577786      1.826863
  C      -6.909432      6.083006      1.409721
  C      -6.795646      6.520175      0.068084
  C      -5.588321      6.981139     -0.406387
  C      -4.456901      7.029554      0.441866
  C      -4.538627      6.632553      1.759156
  C      -5.768385      6.149275      2.281245
  C      -1.878520     -1.345277      4.464955
  C      -3.184965     -1.708996      3.681440
  O      -3.499619     -0.760107      2.635392
  C      -3.952584      0.446790      3.046220
  O      -4.373425      0.603653      4.249210
  C      -4.325238      1.358089      1.936317
  N      -5.444434      2.050395      2.139898
  C      -5.862513      2.844680      1.127710
  N      -5.267716      3.053524     -0.034292
  C      -4.091634      2.390240     -0.235805
  C      -3.378619      2.615179     -1.439940
  C      -2.191550      1.954750     -1.677877
  C      -1.664761      1.054991     -0.721048
  C      -2.331253      0.823659      0.466067
  C      -3.564256      1.477829      0.734630
  C      -3.980988     -0.251305      7.017756
  C      -4.803874      0.140954      8.245969
  O      -5.601081      1.333375      8.008304
  C      -6.797414      1.151159      7.420691
  O      -7.245922      0.068967      7.080090
  C      -7.545778      2.459594      7.279497
  N      -7.203366      3.427485      8.119546
  C      -7.942034      4.564234      8.087702
  N      -9.012201      4.803946      7.355635
  C      -9.366474      3.829748      6.470701
  C     -10.504166      4.036200      5.651003
  C     -10.856037      3.092216      4.711740
  C     -10.081871      1.919059      4.544623
  C      -8.983663      1.676236      5.343912
  C      -8.616659      2.609842      6.347872
  H      -2.976256      3.737828      7.860750
  H      -4.301941      2.890860      7.042385
  H      -3.632437      5.885176      6.750608
  H      -4.923409      5.150079      7.767547
  H      -9.092206      4.690180      3.410458
  H      -7.681237      6.451307     -0.564148
  H      -5.497160      7.301446     -1.444818
  H      -3.503444      7.387065      0.048851
  H      -3.670761      6.687213      2.410184
  H      -2.085445     -1.572981      5.527991
  H      -1.064003     -2.015100      4.139755
  H      -4.039836     -1.785316      4.362614
  H      -3.066843     -2.655148      3.144154
  H      -6.812476      3.357480      1.295640
  H      -3.800631      3.324224     -2.153409
  H      -1.648664      2.131640     -2.608752
  H      -0.718183      0.546871     -0.916592
  H      -1.915902      0.147362      1.211677
  H      -4.676746     -0.413342      6.184858
  H      -3.538743     -1.245219      7.264167
  H      -5.470364     -0.684545      8.532155
  H      -4.168107      0.418054      9.096700
  H      -7.618428      5.357823      8.767536
  H     -11.061354      4.965193      5.777903
  H     -11.725941      3.256050      4.072526
  H     -10.355548      1.197643      3.773051
  H      -8.399096      0.767137      5.220078
  N      -2.040288      2.563254      3.276682
  N      -1.617041      3.251703      2.346698
  H      -0.993057      2.717897      1.698898
98
Coordinates from ORCA-job orca E -6706.541059766427
  N      -2.789180      3.452644      5.754048
  Mo     -2.636199      1.655104      4.794552
  N      -2.950608      0.694232      6.621385
  C      -1.770086      0.616631      7.461070
  C      -0.850272      1.803736      7.220311
  N      -0.631109      2.023501      5.759781
  C      -0.319097      3.449627      5.476438
  C      -1.605465      4.308421      5.623301
  C       0.405701      1.084707      5.227807
  C      -0.142397      0.387461      3.969147
  N      -1.512429      0.044164      4.235006
  H      -1.693501      4.966134      4.744504
  H      -1.517973      4.967119      6.503115
  H       0.057372      3.498830      4.448076
  H       0.483894      3.799851      6.148638
  H       0.476579     -0.498299      3.740912
  H      -0.068412      1.080165      3.111345
  H       0.594293      0.323737      5.997503
  H       1.345102      1.627574      5.041268
  H      -2.012477      0.606725      8.542886
  H      -1.218160     -0.337713      7.277155
  H      -1.316560      2.708837      7.622928
  H       0.122449      1.668771      7.723054
  C      -3.578586      3.705740      6.941974
  C      -4.326106      5.038524      6.887019
  O      -5.262715      5.047232      5.784323
  C      -4.944556      5.809984      4.723442
  O      -3.959515      6.527262      4.647312
  C      -5.995068      5.707771      3.638702
  N      -7.168119      5.211614      4.005623
  C      -8.148049      5.176259      3.071951
  N      -8.081217      5.605213      1.824906
  C      -6.873461      6.094859      1.418208
  C      -6.734303      6.511002      0.071714
  C      -5.513963      6.950703     -0.391025
  C      -4.396002      7.000593      0.474208
  C      -4.503178      6.625092      1.796649
  C      -5.745132      6.160971      2.305979
  C      -1.873052     -1.327365      4.444659
  C      -3.214025     -1.686672      3.726447
  O      -3.554583     -0.758361      2.668997
  C      -3.994307      0.458287      3.064686
  O      -4.399303      0.640127      4.268452
  C      -4.362169      1.361724      1.950484
  N      -5.476361      2.065164      2.148276
  C      -5.890714      2.849821      1.127991
  N      -5.299730      3.039568     -0.038391
  C      -4.129484      2.368552     -0.236660
  C      -3.417279      2.577272     -1.444671
  C      -2.234491      1.908188     -1.677193
  C      -1.711639      1.017144     -0.710461
  C      -2.376555      0.802178      0.480540
  C      -3.605005      1.463127      0.742883
  C      -3.965589     -0.253905      7.016754
  C      -4.789270      0.128708      8.246236
  O      -5.592790      1.315219      8.011892
  C      -6.781728      1.132112      7.411050
  O      -7.223542      0.049428      7.063843
  C      -7.533769      2.435605      7.269573
  N      -7.210282      3.397586      8.124115
  C      -7.958360      4.528402      8.092934
  N      -9.018209      4.767810      7.347113
  C      -9.351289      3.800673      6.446035
  C     -10.478096      4.008075      5.611699
  C     -10.809695      3.071281      4.657621
  C     -10.024096      1.904972      4.491039
  C      -8.937252      1.661656      5.304488
  C      -8.591655      2.588018      6.322850
  H      -2.978477      3.744858      7.878814
  H      -4.304983      2.898368      7.060973
  H      -3.646020      5.893368      6.786318
  H      -4.934381      5.147175      7.795398
  H      -9.095161      4.743485      3.404362
  H      -7.610006      6.441450     -0.573883
  H      -5.402104      7.252411     -1.433854
  H      -3.432344      7.341213      0.090289
  H      -3.645819      6.682394      2.460946
  H      -2.018303     -1.577663      5.513432
  H      -1.069344     -1.981720      4.064960
  H      -4.043888     -1.727421      4.439587
  H      -3.131302     -2.650406      3.214955
  H      -6.837164      3.370721      1.292222
  H      -3.836677      3.281028     -2.164643
  H      -1.691195      2.071363     -2.610152
  H      -0.767105      0.503986     -0.901723
  H      -1.962981      0.133107      1.233512
  H      -4.662134     -0.416973      6.184769
  H      -3.515330     -1.245437      7.258064
  H      -5.451046     -0.701296      8.530550
  H      -4.154556      0.407187      9.097237
  H      -7.651842      5.316742      8.787140
  H     -11.042840      4.932316      5.740997
  H     -11.671673      3.235919      4.008324
  H     -10.280422      1.188271      3.709031
  H      -8.344213      0.757929      5.180963
  N      -2.075864      2.584957      3.273319
  N      -1.679261      3.262456      2.325268
  H      -1.061490      2.728996      1.669708
98
Coordinates from ORCA-job orca E -6706.541863518792
  N      -2.795815      3.464107      5.765499
  Mo     -2.650201      1.672009      4.796475
  N      -2.943767      0.699453      6.620555
  C      -1.757269      0.623178      7.451476
  C      -0.843197      1.812718      7.206898
  N      -0.638234      2.036241      5.745231
  C      -0.330104      3.464160      5.463670
  C      -1.614348      4.321243      5.637810
  C       0.393539      1.099835      5.200136
  C      -0.164374      0.412900      3.941628
  N      -1.532651      0.062737      4.214379
  H      -1.707045      4.995621      4.772110
  H      -1.517068      4.963249      6.529120
  H       0.028040      3.518490      4.428812
  H       0.485075      3.809538      6.123403
  H       0.454144     -0.468886      3.698032
  H      -0.099927      1.114345      3.090186
  H       0.587915      0.335783      5.965181
  H       1.331900      1.643493      5.009707
  H      -1.993329      0.610571      8.534957
  H      -1.203732     -0.329093      7.262499
  H      -1.307136      2.716425      7.614499
  H       0.134372      1.679040      7.700755
  C      -3.584800      3.710616      6.956631
  C      -4.335648      5.041218      6.907614
  O      -5.265817      5.054102      5.799310
  C      -4.944661      5.827311      4.748162
  O      -3.964349      6.552882      4.685375
  C      -5.986365      5.730000      3.654724
  N      -7.168875      5.249684      4.013693
  C      -8.140005      5.220048      3.069568
  N      -8.055350      5.637894      1.820089
  C      -6.837745      6.110221      1.421590
  C      -6.679174      6.513713      0.073256
  C      -5.448926      6.936758     -0.379257
  C      -4.339960      6.981974      0.497855
  C      -4.465872      6.618100      1.822056
  C      -5.718239      6.171202      2.321061
  C      -1.877305     -1.313498      4.425558
  C      -3.251383     -1.663410      3.768201
  O      -3.604400     -0.753477      2.699802
  C      -4.031526      0.472600      3.081685
  O      -4.427698      0.671953      4.285612
  C      -4.393190      1.367324      1.959589
  N      -5.501651      2.081249      2.150810
  C      -5.911227      2.859126      1.123971
  N      -5.321592      3.033313     -0.045884
  C      -4.156381      2.351802     -0.238842
  C      -3.443620      2.544644     -1.449051
  C      -2.265126      1.865871     -1.675842
  C      -1.747983      0.981175     -0.700396
  C      -2.413137      0.782088      0.493262
  C      -3.636452      1.452278      0.748764
  C      -3.951067     -0.253912      7.022749
  C      -4.771157      0.127694      8.256174
  O      -5.582642      1.308752      8.021509
  C      -6.768337      1.117874      7.416140
  O      -7.200669      0.032160      7.065118
  C      -7.528326      2.416382      7.269633
  N      -7.225519      3.376475      8.133379
  C      -7.984217      4.499972      8.098450
  N      -9.037073      4.732057      7.340179
  C      -9.347541      3.766841      6.428621
  C     -10.464741      3.967260      5.580184
  C     -10.772188      3.033524      4.614783
  C      -9.969482      1.878382      4.450912
  C      -8.892613      1.641500      5.278577
  C      -8.573217      2.563873      6.308428
  H      -2.982706      3.747512      7.892551
  H      -4.310646      2.901896      7.075373
  H      -3.657609      5.899489      6.816925
  H      -4.950015      5.141080      7.813474
  H      -9.095676      4.801147      3.395991
  H      -7.548327      6.448513     -0.581886
  H      -5.322248      7.228878     -1.423073
  H      -3.368975      7.309990      0.121904
  H      -3.615838      6.673689      2.496317
  H      -1.967685     -1.587848      5.496835
  H      -1.089952     -1.956552      3.995485
  H      -4.057932     -1.667542      4.509760
  H      -3.205279     -2.643304      3.280143
  H      -6.854132      3.387821      1.284621
  H      -3.858853      3.244402     -2.175372
  H      -1.720557      2.015757     -2.610074
  H      -0.806954      0.460888     -0.888235
  H      -2.003748      0.118341      1.253087
  H      -4.652204     -0.421175      6.195756
  H      -3.493517     -1.242751      7.262119
  H      -5.428125     -0.705016      8.545246
  H      -4.133621      0.410012      9.104347
  H      -7.693911      5.287282      8.801029
  H     -11.042153      4.883819      5.707581
  H     -11.626799      3.192713      3.954941
  H     -10.205996      1.165415      3.659713
  H      -8.286604      0.746228      5.156989
  N      -2.106024      2.604917      3.272636
  N      -1.717534      3.285796      2.322278
  H      -1.106669      2.751808      1.662099
98
Coordinates from ORCA-job orca E -6706.542600801346
  N      -2.800395      3.474738      5.778809
  Mo     -2.665104      1.690419      4.798321
  N      -2.936996      0.706881      6.620707
  C      -1.744414      0.628463      7.442223
  C      -0.833894      1.818591      7.193623
  N      -0.644988      2.046032      5.730979
  C      -0.339600      3.475787      5.451833
  C      -1.621612      4.332182      5.650900
  C       0.378982      1.110253      5.171622
  C      -0.189683      0.436714      3.912929
  N      -1.557184      0.081135      4.190570
  H      -1.717971      5.019240      4.795468
  H      -1.512177      4.961344      6.550244
  H       0.000880      3.535925      4.411114
  H       0.486946      3.815053      6.100284
  H       0.427109     -0.440892      3.650329
  H      -0.134687      1.149642      3.070170
  H       0.578496      0.342880      5.932000
  H       1.317472      1.652711      4.976843
  H      -1.973814      0.613008      8.527269
  H      -1.191429     -0.322706      7.247091
  H      -1.291899      2.722162      7.607463
  H       0.148840      1.683752      7.676998
  C      -3.585459      3.718095      6.974153
  C      -4.342325      5.045629      6.928809
  O      -5.269089      5.059232      5.817573
  C      -4.947129      5.840927      4.774415
  O      -3.971276      6.573325      4.721426
  C      -5.981283      5.748176      3.673995
  N      -7.172753      5.284237      4.025493
  C      -8.135871      5.261953      3.071465
  N      -8.033872      5.669821      1.820192
  C      -6.806558      6.124171      1.429669
  C      -6.629157      6.516833      0.080432
  C      -5.389697      6.923547     -0.361099
  C      -4.289268      6.961056      0.527364
  C      -4.433057      6.605870      1.852213
  C      -5.695678      6.177646      2.340119
  C      -1.886992     -1.299540      4.400077
  C      -3.287401     -1.642260      3.803436
  O      -3.661481     -0.748130      2.728995
  C      -4.075985      0.486069      3.097004
  O      -4.460102      0.706347      4.301701
  C      -4.426746      1.373475      1.966521
  N      -5.529849      2.098254      2.149118
  C      -5.932434      2.869539      1.115049
  N      -5.341876      3.028064     -0.057283
  C      -4.181381      2.335505     -0.242278
  C      -3.465367      2.512200     -1.452438
  C      -2.289971      1.825499     -1.669620
  C      -1.780429      0.946792     -0.684769
  C      -2.448695      0.762334      0.508797
  C      -3.667714      1.442469      0.754547
  C      -3.939425     -0.247938      7.032162
  C      -4.751268      0.135121      8.271920
  O      -5.571314      1.309742      8.036770
  C      -6.752565      1.108839      7.425672
  O      -7.174857      0.019172      7.074020
  C      -7.521079      2.401380      7.270621
  N      -7.241176      3.361774      8.141237
  C      -8.012360      4.476740      8.098892
  N      -9.057664      4.698171      7.326187
  C      -9.342479      3.732837      6.405758
  C     -10.447704      3.923531      5.539245
  C     -10.727290      2.991215      4.563545
  C      -9.905723      1.848525      4.406975
  C      -8.841052      1.620466      5.252697
  C      -8.551733      2.540636      6.293046
  H      -2.977742      3.757800      7.906105
  H      -4.308702      2.906952      7.098930
  H      -3.668792      5.908038      6.843893
  H      -4.960975      5.137503      7.832469
  H      -9.099623      4.856344      3.391487
  H      -7.491793      6.458007     -0.584281
  H      -5.248868      7.208292     -1.405094
  H      -3.311634      7.275954      0.159394
  H      -3.589787      6.655989      2.535999
  H      -1.924032     -1.598727      5.469502
  H      -1.119576     -1.932033      3.919997
  H      -4.066939     -1.615893      4.573005
  H      -3.272211     -2.634353      3.336221
  H      -6.871306      3.407326      1.270889
  H      -3.874886      3.207927     -2.186193
  H      -1.741423      1.963479     -2.602464
  H      -0.842001      0.421531     -0.866608
  H      -2.044788      0.104373      1.276348
  H      -4.649709     -0.414892      6.213143
  H      -3.478518     -1.236213      7.267290
  H      -5.402562     -0.699666      8.568848
  H      -4.108379      0.422157      9.114670
  H      -7.739625      5.264610      8.807812
  H     -11.039311      4.831627      5.660855
  H     -11.572644      3.143251      3.890081
  H     -10.119390      1.138752      3.606561
  H      -8.219744      0.735396      5.135911
  N      -2.139795      2.624062      3.271091
  N      -1.762060      3.307951      2.317076
  H      -1.160232      2.771750      1.650829
98
Coordinates from ORCA-job orca E -6706.543246924857
  N      -2.809468      3.485152      5.792997
  Mo     -2.683489      1.707737      4.802425
  N      -2.930625      0.711253      6.622327
  C      -1.729783      0.634243      7.432469
  C      -0.825047      1.827988      7.177813
  N      -0.654237      2.060052      5.713877
  C      -0.354285      3.490332      5.433964
  C      -1.632610      4.344829      5.663645
  C       0.362698      1.126490      5.138600
  C      -0.218856      0.462629      3.881380
  N      -1.583398      0.101588      4.169734
  H      -1.738588      5.046501      4.820898
  H      -1.512338      4.958566      6.572242
  H      -0.035962      3.553729      4.386426
  H       0.485117      3.827988      6.066690
  H       0.396365     -0.411626      3.603792
  H      -0.174949      1.182674      3.044123
  H       0.568383      0.354579      5.892747
  H       1.299872      1.669104      4.937618
  H      -1.948899      0.615106      8.519407
  H      -1.175492     -0.314678      7.229938
  H      -1.280390      2.729378      7.599956
  H       0.163797      1.694147      7.648810
  C      -3.590167      3.721548      6.991169
  C      -4.349430      5.048493      6.953861
  O      -5.269398      5.067933      5.836411
  C      -4.946941      5.863359      4.802812
  O      -3.978186      6.606142      4.763185
  C      -5.971229      5.770508      3.693685
  N      -7.170780      5.324494      4.039103
  C      -8.126446      5.308059      3.077656
  N      -8.008705      5.704841      1.824536
  C      -6.772253      6.139583      1.440487
  C      -6.578224      6.518922      0.090096
  C      -5.329653      6.905591     -0.344236
  C      -4.236031      6.935309      0.552717
  C      -4.395861      6.592453      1.878894
  C      -5.668642      6.185618      2.359261
  C      -1.901626     -1.281906      4.379515
  C      -3.325833     -1.615603      3.844929
  O      -3.717842     -0.740111      2.760985
  C      -4.120036      0.500570      3.118385
  O      -4.492091      0.737229      4.323862
  C      -4.465218      1.380304      1.980260
  N      -5.564780      2.111239      2.155841
  C      -5.964011      2.873330      1.113357
  N      -5.372310      3.016789     -0.060790
  C      -4.213977      2.318276     -0.237035
  C      -3.496697      2.477434     -1.449123
  C      -2.322985      1.785150     -1.657374
  C      -1.815848      0.917594     -0.661553
  C      -2.486049      0.748932      0.533661
  C      -3.704235      1.435170      0.769823
  C      -3.925330     -0.248144      7.041640
  C      -4.731865      0.133173      8.285574
  O      -5.560143      1.302125      8.049626
  C      -6.735654      1.092761      7.431076
  O      -7.150974      0.000572      7.080095
  C      -7.508594      2.381117      7.266553
  N      -7.254584      3.339022      8.148121
  C      -8.036836      4.446374      8.097593
  N      -9.070821      4.660625      7.307538
  C      -9.327019      3.698712      6.374985
  C     -10.417264      3.881950      5.488207
  C     -10.664868      2.953923      4.499515
  C      -9.826046      1.823043      4.349880
  C      -8.776587      1.600795      5.216168
  C      -8.520438      2.516349      6.269270
  H      -2.978335      3.757260      7.920475
  H      -4.311022      2.908887      7.114318
  H      -3.677917      5.912927      6.879528
  H      -4.972760      5.131082      7.854869
  H      -9.098298      4.918608      3.393000
  H      -7.435662      6.465971     -0.581417
  H      -5.176048      7.179708     -1.389373
  H      -3.250730      7.233318      0.189929
  H      -3.557469      6.635950      2.568761
  H      -1.889546     -1.599100      5.444674
  H      -1.157552     -1.906754      3.854179
  H      -4.075995     -1.553070      4.640142
  H      -3.345410     -2.619534      3.405799
  H      -6.899375      3.418259      1.263897
  H      -3.903572      3.164371     -2.192073
  H      -1.773552      1.909929     -2.592193
  H      -0.878677      0.387412     -0.837160
  H      -2.084719      0.099895      1.310046
  H      -4.642216     -0.417688      6.228947
  H      -3.458754     -1.234073      7.273878
  H      -5.375856     -0.704945      8.588817
  H      -4.086927      0.427454      9.123536
  H      -7.786003      5.232599      8.816334
  H     -11.023161      4.781412      5.604670
  H     -11.498288      3.100781      3.810137
  H     -10.014353      1.118334      3.538357
  H      -8.140987      0.725065      5.104128
  N      -2.179544      2.645756      3.272529
  N      -1.812850      3.329328      2.313596
  H      -1.220477      2.791412      1.640952
98
Coordinates from ORCA-job orca E -6706.543848871055
  N      -2.815941      3.491862      5.812022
  Mo     -2.702457      1.725524      4.807515
  N      -2.925588      0.719454      6.629117
  C      -1.716234      0.636993      7.425796
  C      -0.813742      1.830559      7.163894
  N      -0.664782      2.068078      5.698437
  C      -0.366937      3.500061      5.421392
  C      -1.642603      4.353630      5.674900
  C       0.341987      1.134737      5.104812
  C      -0.253238      0.485606      3.848456
  N      -1.616073      0.119470      4.145539
  H      -1.756943      5.062074      4.838641
  H      -1.509959      4.959872      6.587017
  H      -0.064893      3.569370      4.369320
  H       0.481653      3.831767      6.044736
  H       0.358956     -0.383989      3.549364
  H      -0.222209      1.216864      3.020285
  H       0.553526      0.358096      5.852515
  H       1.278913      1.675944      4.897470
  H      -1.923746      0.614397      8.514806
  H      -1.164608     -0.311436      7.213904
  H      -1.259262      2.732133      7.596262
  H       0.182586      1.693497      7.618096
  C      -3.586886      3.728044      7.015561
  C      -4.349796      5.054093      6.981764
  O      -5.266934      5.075031      5.861306
  C      -4.940737      5.874947      4.832112
  O      -3.973373      6.619034      4.799776
  C      -5.959287      5.788200      3.717353
  N      -7.167102      5.362108      4.057565
  C      -8.117295      5.356633      3.089476
  N      -7.984735      5.745630      1.835310
  C      -6.739153      6.159044      1.457057
  C      -6.531035      6.531719      0.107065
  C      -5.275178      6.901268     -0.318994
  C      -4.187127      6.917005      0.585639
  C      -4.359918      6.577827      1.911431
  C      -5.641453      6.192033      2.383066
  C      -1.921919     -1.267620      4.348495
  C      -3.360146     -1.600734      3.866255
  O      -3.784335     -0.732875      2.786629
  C      -4.174237      0.510518      3.137835
  O      -4.527927      0.764105      4.344280
  C      -4.508382      1.386146      1.992398
  N      -5.604895      2.123840      2.160324
  C      -5.998494      2.879702      1.110865
  N      -5.404459      3.008714     -0.064898
  C      -4.248501      2.302349     -0.231757
  C      -3.529050      2.444238     -1.444489
  C      -2.357110      1.745576     -1.643558
  C      -1.853298      0.887673     -0.637439
  C      -2.525937      0.734796      0.558486
  C      -3.742878      1.428779      0.784756
  C      -3.918229     -0.235588      7.062725
  C      -4.710563      0.152359      8.314532
  O      -5.546243      1.315366      8.074702
  C      -6.714102      1.092124      7.447009
  O      -7.118250     -0.005643      7.100584
  C      -7.493516      2.373850      7.260780
  N      -7.269288      3.338073      8.143415
  C      -8.066503      4.434348      8.072902
  N      -9.090386      4.628634      7.263889
  C      -9.312835      3.660792      6.328368
  C     -10.387907      3.822496      5.419649
  C     -10.597052      2.889390      4.426277
  C      -9.733164      1.775786      4.292699
  C      -8.698757      1.572830      5.181466
  C      -8.484248      2.492444      6.240473
  H      -2.964691      3.769503      7.937912
  H      -4.303076      2.912718      7.148432
  H      -3.681827      5.921302      6.911518
  H      -4.975493      5.129604      7.881617
  H      -9.097055      4.983803      3.399666
  H      -7.384161      6.490027     -0.571018
  H      -5.111624      7.173075     -1.363134
  H      -3.196772      7.201072      0.228411
  H      -3.526239      6.610216      2.607628
  H      -1.864736     -1.606043      5.406028
  H      -1.200222     -1.882497      3.780351
  H      -4.082592     -1.526390      4.685282
  H      -3.398592     -2.608559      3.437668
  H      -6.930221      3.431801      1.255265
  H      -3.932346      3.123601     -2.196489
  H      -1.805526      1.857682     -2.578900
  H      -0.917530      0.352580     -0.807813
  H      -2.127824      0.094683      1.343693
  H      -4.649911     -0.400513      6.262424
  H      -3.454350     -1.223733      7.289186
  H      -5.347368     -0.686179      8.631360
  H      -4.058550      0.455902      9.143225
  H      -7.839491      5.226867      8.792441
  H     -11.014253      4.709622      5.522241
  H     -11.418751      3.020279      3.720064
  H      -9.891916      1.070069      3.475903
  H      -8.042479      0.710986      5.082025
  N      -2.222472      2.665816      3.275870
  N      -1.867527      3.354856      2.315394
  H      -1.288941      2.816158      1.631695
98
Coordinates from ORCA-job orca E -6706.544381120403
  N      -2.822873      3.502035      5.821933
  Mo     -2.718542      1.741562      4.808686
  N      -2.921972      0.723658      6.628462
  C      -1.705001      0.640826      7.413223
  C      -0.806483      1.837172      7.147387
  N      -0.673174      2.081407      5.681409
  C      -0.379421      3.513898      5.405204
  C      -1.650039      4.365344      5.682390
  C       0.328149      1.150463      5.073306
  C      -0.278801      0.510362      3.817134
  N      -1.638323      0.138914      4.125132
  H      -1.774137      5.085048      4.857050
  H      -1.508364      4.959388      6.601236
  H      -0.093645      3.586573      4.349061
  H       0.477995      3.845250      6.016713
  H       0.332389     -0.355610      3.505208
  H      -0.257946      1.247438      2.994165
  H       0.543087      0.367271      5.813151
  H       1.264465      1.691279      4.862715
  H      -1.901732      0.614255      8.504051
  H      -1.153807     -0.306153      7.193328
  H      -1.249480      2.735445      7.589652
  H       0.194884      1.699455      7.589936
  C      -3.588722      3.731929      7.029162
  C      -4.357446      5.055839      7.002308
  O      -5.269239      5.079739      5.877606
  C      -4.939470      5.885618      4.854354
  O      -3.974811      6.633234      4.831183
  C      -5.950202      5.800598      3.733214
  N      -7.167664      5.398623      4.068621
  C      -8.111069      5.404449      3.094295
  N      -7.963039      5.783430      1.838730
  C      -6.707160      6.171674      1.466374
  C      -6.482707      6.534063      0.116440
  C      -5.216529      6.879290     -0.302320
  C      -4.134276      6.879765      0.609431
  C      -4.322701      6.549385      1.934983
  C      -5.615361      6.189797      2.399140
  C      -1.933815     -1.251339      4.324560
  C      -3.385774     -1.581071      3.893034
  O      -3.829586     -0.727381      2.808662
  C      -4.210456      0.520625      3.153073
  O      -4.551655      0.787550      4.359233
  C      -4.540830      1.390463      2.002318
  N      -5.635660      2.132430      2.162819
  C      -6.025105      2.881092      1.106142
  N      -5.429229      2.996001     -0.069722
  C      -4.274649      2.286062     -0.228419
  C      -3.553741      2.414249     -1.441874
  C      -2.381105      1.714992     -1.630360
  C      -1.877332      0.870058     -0.613048
  C      -2.552844      0.728111      0.582126
  C      -3.771458      1.422618      0.797893
  C      -3.909797     -0.231147      7.071489
  C      -4.693723      0.156238      8.328884
  O      -5.540091      1.313134      8.091244
  C      -6.705640      1.081490      7.460522
  O      -7.104368     -0.019438      7.119484
  C      -7.493400      2.357253      7.267549
  N      -7.292880      3.319738      8.157555
  C      -8.099949      4.408442      8.077506
  N      -9.111727      4.595765      7.252185
  C      -9.307337      3.631281      6.307715
  C     -10.366220      3.786611      5.378489
  C     -10.544077      2.858107      4.374908
  C      -9.666545      1.754454      4.252269
  C      -8.648478      1.556510      5.161488
  C      -8.465524      2.471830      6.229491
  H      -2.962749      3.771865      7.949061
  H      -4.300914      2.912987      7.160896
  H      -3.691716      5.926380      6.940401
  H      -4.987714      5.123457      7.900299
  H      -9.100194      5.052975      3.400123
  H      -7.331826      6.504436     -0.567139
  H      -5.040592      7.143563     -1.346164
  H      -3.135387      7.143525      0.257557
  H      -3.492472      6.568245      2.636192
  H      -1.834909     -1.603783      5.374332
  H      -1.232345     -1.856041      3.721010
  H      -4.084107     -1.482310      4.728749
  H      -3.447413     -2.596919      3.488100
  H      -6.953514      3.440670      1.244711
  H      -3.955732      3.084073     -2.203054
  H      -1.828412      1.818341     -2.565680
  H      -0.940087      0.335799     -0.773894
  H      -2.154894      0.099414      1.376880
  H      -4.648702     -0.396706      6.278013
  H      -3.443231     -1.218677      7.294388
  H      -5.321688     -0.685117      8.655498
  H      -4.037189      0.469122      9.150724
  H      -7.893741      5.200857      8.803128
  H     -11.004224      4.666089      5.473264
  H     -11.352663      2.984906      3.651985
  H      -9.801303      1.052739      3.427861
  H      -7.981898      0.702077      5.070461
  N      -2.258725      2.688528      3.274480
  N      -1.917195      3.375031      2.307212
  H      -1.349046      2.834990      1.614717
98
Coordinates from ORCA-job orca E -6706.544864823631
  N      -2.833157      3.507600      5.833258
  Mo     -2.733308      1.754611      4.807756
  N      -2.920376      0.728318      6.628644
  C      -1.695656      0.643738      7.400494
  C      -0.800864      1.841897      7.129644
  N      -0.684251      2.093196      5.663167
  C      -0.395097      3.527150      5.390363
  C      -1.661758      4.374486      5.690539
  C       0.313355      1.166161      5.041585
  C      -0.302878      0.534753      3.785288
  N      -1.658458      0.155860      4.103415
  H      -1.797519      5.104571      4.876238
  H      -1.512759      4.957486      6.615491
  H      -0.123148      3.605468      4.330994
  H       0.469677      3.856979      5.992386
  H       0.309062     -0.326024      3.460272
  H      -0.293559      1.278404      2.968434
  H       0.531914      0.376850      5.773791
  H       1.248503      1.708052      4.828946
  H      -1.880747      0.614185      8.493289
  H      -1.145678     -0.302381      7.172949
  H      -1.240352      2.736915      7.582175
  H       0.206050      1.703221      7.559140
  C      -3.593639      3.730070      7.045263
  C      -4.369817      5.050198      7.024245
  O      -5.278773      5.078783      5.897281
  C      -4.944789      5.890585      4.878846
  O      -3.980635      6.639228      4.863553
  C      -5.949400      5.811515      3.752060
  N      -7.176645      5.436305      4.082024
  C      -8.112997      5.456187      3.101058
  N      -7.949031      5.824336      1.844217
  C      -6.683158      6.184259      1.478038
  C      -6.442370      6.536550      0.127866
  C      -5.166683      6.856220     -0.283381
  C      -4.090700      6.838249      0.635458
  C      -4.294458      6.515388      1.960814
  C      -5.597635      6.185028      2.417890
  C      -1.942635     -1.238434      4.296434
  C      -3.404183     -1.570611      3.908573
  O      -3.870311     -0.727550      2.823995
  C      -4.242403      0.523441      3.164975
  O      -4.571095      0.800188      4.369942
  C      -4.567975      1.390374      2.009904
  N      -5.660690      2.136565      2.164453
  C      -6.045498      2.881038      1.102591
  N      -5.448872      2.982354     -0.073810
  C      -4.296248      2.267949     -0.226203
  C      -3.575635      2.381491     -1.441805
  C      -2.402774      1.679988     -1.621966
  C      -1.897170      0.849566     -0.593392
  C      -2.573894      0.720374      0.602745
  C      -3.794746      1.413929      0.808948
  C      -3.906085     -0.222209      7.083989
  C      -4.678108      0.168905      8.347476
  O      -5.534422      1.319529      8.111068
  C      -6.696915      1.078381      7.477875
  O      -7.088333     -0.025798      7.139845
  C      -7.490160      2.348778      7.274124
  N      -7.316975      3.307364      8.174374
  C      -8.134050      4.387871      8.085396
  N      -9.131444      4.568717      7.241817
  C      -9.297025      3.609246      6.286402
  C     -10.338594      3.757949      5.337473
  C     -10.482162      2.835735      4.322869
  C      -9.588949      1.743836      4.209469
  C      -8.588994      1.550414      5.139122
  C      -8.440699      2.459945      6.216760
  H      -2.963042      3.772194      7.962054
  H      -4.299657      2.906098      7.177432
  H      -3.706988      5.922541      6.968339
  H      -5.002226      5.110574      7.920679
  H      -9.111769      5.129272      3.401816
  H      -7.287036      6.520980     -0.561582
  H      -4.978364      7.113773     -1.327280
  H      -3.083952      7.080018      0.288761
  H      -3.467710      6.516782      2.666293
  H      -1.805943     -1.603621      5.337706
  H      -1.258574     -1.831312      3.661681
  H      -4.081633     -1.456451      4.758546
  H      -3.481288     -2.592123      3.520463
  H      -6.969383      3.450138      1.237789
  H      -3.977822      3.040490     -2.212132
  H      -1.850852      1.772042     -2.559352
  H      -0.958506      0.314606     -0.746416
  H      -2.175005      0.103866      1.406831
  H      -4.654002     -0.386812      6.298883
  H      -3.440673     -1.211024      7.303729
  H      -5.297337     -0.673378      8.687706
  H      -4.015463      0.493256      9.159918
  H      -7.950971      5.178913      8.819233
  H     -10.990539      4.627964      5.426002
  H     -11.276687      2.958027      3.584237
  H      -9.697171      1.047662      3.376357
  H      -7.911514      0.703664      5.055917
  N      -2.289723      2.710390      3.274776
  N      -1.956891      3.401488      2.307109
  H      -1.401247      2.864216      1.602953
98
Coordinates from ORCA-job orca E -6706.545294985329
  N      -2.844093      3.516708      5.840905
  Mo     -2.750779      1.768493      4.806138
  N      -2.920569      0.733236      6.626692
  C      -1.689203      0.648871      7.387156
  C      -0.799109      1.849956      7.114339
  N      -0.694907      2.108283      5.648237
  C      -0.410903      3.543784      5.379373
  C      -1.674641      4.386514      5.696254
  C       0.299722      1.186036      5.015044
  C      -0.324342      0.562192      3.758566
  N      -1.675875      0.175111      4.085929
  H      -1.820263      5.125580      4.891797
  H      -1.520417      4.960510      6.626155
  H      -0.148443      3.627508      4.317998
  H       0.458645      3.873083      5.974861
  H       0.289207     -0.293141      3.422209
  H      -0.325435      1.311956      2.947510
  H       0.521257      0.390759      5.739900
  H       1.233904      1.729210      4.801689
  H      -1.864784      0.615369      8.481536
  H      -1.138877     -0.295448      7.152499
  H      -1.237322      2.741335      7.575501
  H       0.211620      1.710804      7.534721
  C      -3.600131      3.732582      7.057327
  C      -4.383980      5.048836      7.043515
  O      -5.290079      5.081787      5.914329
  C      -4.946923      5.889961      4.897163
  O      -3.979572      6.634412      4.885701
  C      -5.945978      5.817212      3.765821
  N      -7.183678      5.472770      4.091187
  C      -8.112493      5.507410      3.103114
  N      -7.931667      5.860993      1.844188
  C      -6.655348      6.188726      1.483639
  C      -6.397538      6.530005      0.133535
  C      -5.112837      6.823791     -0.268788
  C      -4.044189      6.787429      0.658018
  C      -4.263961      6.472522      1.982735
  C      -5.576923      6.172058      2.431298
  C      -1.946820     -1.223713      4.273194
  C      -3.413580     -1.563177      3.920863
  O      -3.900269     -0.731282      2.835495
  C      -4.270004      0.521361      3.172966
  O      -4.588929      0.806411      4.377943
  C      -4.594330      1.385171      2.015168
  N      -5.687081      2.131922      2.164427
  C      -6.068532      2.872933      1.098739
  N      -5.472226      2.964381     -0.078383
  C      -4.319832      2.249466     -0.225977
  C      -3.599903      2.352797     -1.443168
  C      -2.424471      1.653795     -1.615735
  C      -1.915352      0.837108     -0.577973
  C      -2.593096      0.715794      0.618384
  C      -3.817452      1.404614      0.816637
  C      -3.902484     -0.217092      7.090192
  C      -4.665772      0.171169      8.360123
  O      -5.532934      1.315883      8.130492
  C      -6.692363      1.068645      7.494136
  O      -7.077734     -0.037281      7.154780
  C      -7.492272      2.334110      7.288728
  N      -7.342977      3.284379      8.201826
  C      -8.166687      4.359395      8.107847
  N      -9.148178      4.541254      7.246296
  C      -9.287421      3.590962      6.277821
  C     -10.308925      3.742638      5.307778
  C     -10.421491      2.832057      4.278967
  C      -9.518023      1.747836      4.173200
  C      -8.538947      1.549926      5.124074
  C      -8.421755      2.448695      6.214076
  H      -2.965697      3.776380      7.971757
  H      -4.300203      2.903837      7.189900
  H      -3.723291      5.924658      6.994541
  H      -5.019793      5.101281      7.939444
  H      -9.121400      5.208652      3.399384
  H      -7.237215      6.529257     -0.562239
  H      -4.912020      7.075252     -1.311748
  H      -3.030742      7.008062      0.318169
  H      -3.442088      6.457756      2.693868
  H      -1.778767     -1.597678      5.306667
  H      -1.274785     -1.804324      3.614430
  H      -4.074991     -1.437383      4.781759
  H      -3.498073     -2.589801      3.547966
  H      -6.989903      3.446299      1.230903
  H      -4.004262      3.001337     -2.221125
  H      -1.873365      1.738229     -2.554231
  H      -0.973549      0.305616     -0.723400
  H      -2.191858      0.110414      1.429851
  H      -4.656303     -0.381103      6.310527
  H      -3.435603     -1.206668      7.304929
  H      -5.276014     -0.674280      8.708632
  H      -3.998527      0.503234      9.165954
  H      -8.004566      5.144824      8.852640
  H     -10.969774      4.606307      5.391527
  H     -11.199382      2.957485      3.522991
  H      -9.600949      1.061287      3.329003
  H      -7.854112      0.708118      5.045999
  N      -2.326251      2.732495      3.273394
  N      -2.005545      3.427339      2.304250
  H      -1.460977      2.893716      1.588931
98
Coordinates from ORCA-job orca E -6706.545664760274
  N      -2.858807      3.523022      5.848615
  Mo     -2.766895      1.778913      4.804523
  N      -2.921494      0.736669      6.624698
  C      -1.684454      0.654083      7.375407
  C      -0.800250      1.858641      7.100059
  N      -0.707467      2.122131      5.634040
  C      -0.429849      3.559678      5.368761
  C      -1.691820      4.396504      5.703827
  C       0.286427      1.206102      4.991746
  C      -0.342936      0.586833      3.736250
  N      -1.689932      0.190818      4.072183
  H      -1.846701      5.145604      4.910659
  H      -1.532154      4.960579      6.638990
  H      -0.178481      3.649091      4.305006
  H       0.445551      3.888200      5.956122
  H       0.273305     -0.262679      3.390557
  H      -0.354430      1.341802      2.930324
  H       0.512884      0.407354      5.711252
  H       1.218489      1.752428      4.777221
  H      -1.851963      0.617377      8.471169
  H      -1.132544     -0.287910      7.135016
  H      -1.237964      2.746878      7.567616
  H       0.213853      1.720571      7.512653
  C      -3.612307      3.731563      7.067905
  C      -4.401865      5.043903      7.061285
  O      -5.305586      5.084380      5.930212
  C      -4.954419      5.892729      4.914782
  O      -3.984247      6.634451      4.907392
  C      -5.947890      5.826680      3.778584
  N      -7.195341      5.515424      4.100195
  C      -8.116884      5.564107      3.105637
  N      -7.920126      5.899150      1.844284
  C      -6.634159      6.191466      1.487921
  C      -6.359684      6.515693      0.136486
  C      -5.065723      6.777561     -0.259821
  C      -4.004128      6.722897      0.673790
  C      -4.239893      6.422413      1.999605
  C      -5.562522      6.158130      2.442606
  C      -1.947510     -1.212087      4.254799
  C      -3.417565     -1.560157      3.931314
  O      -3.922231     -0.739252      2.845188
  C      -4.290903      0.514175      3.179533
  O      -4.602881      0.804900      4.383876
  C      -4.615138      1.377086      2.020831
  N      -5.707736      2.124692      2.169049
  C      -6.088583      2.864981      1.102631
  N      -5.495670      2.950064     -0.076503
  C      -4.343697      2.234408     -0.224040
  C      -3.627136      2.331367     -1.443613
  C      -2.448488      1.636892     -1.612757
  C      -1.933361      0.830850     -0.569741
  C      -2.609757      0.712693      0.627374
  C      -3.837495      1.395708      0.822260
  C      -3.899319     -0.214401      7.094661
  C      -4.653711      0.171402      8.370252
  O      -5.528890      1.311160      8.146956
  C      -6.685775      1.059642      7.508795
  O      -7.065027     -0.047263      7.164834
  C      -7.491160      2.321111      7.304201
  N      -7.369402      3.258652      8.235024
  C      -8.200196      4.328203      8.138832
  N      -9.162471      4.515889      7.256705
  C      -9.272115      3.579198      6.270664
  C     -10.271324      3.738502      5.278998
  C     -10.352526      2.843050      4.234318
  C      -9.438877      1.766371      4.134123
  C      -8.482084      1.560019      5.105400
  C      -8.397337      2.443763      6.210793
  H      -2.975385      3.776640      7.980699
  H      -4.307497      2.898661      7.199654
  H      -3.743614      5.921326      7.020245
  H      -5.039440      5.088177      7.955650
  H      -9.135094      5.296149      3.398704
  H      -7.194351      6.528874     -0.565058
  H      -4.852224      7.017211     -1.303572
  H      -2.983305      6.916225      0.338096
  H      -3.422517      6.390785      2.714892
  H      -1.754204     -1.592167      5.281874
  H      -1.284357     -1.781821      3.577657
  H      -4.065912     -1.425615      4.801130
  H      -3.504457     -2.591227      3.570990
  H      -7.007178      3.442801      1.236648
  H      -4.036137      2.971648     -2.226206
  H      -1.899754      1.717148     -2.552508
  H      -0.988036      0.304937     -0.711011
  H      -2.204373      0.115571      1.442749
  H      -4.657935     -0.378116      6.319549
  H      -3.430899     -1.204462      7.304646
  H      -5.256983     -0.676235      8.725290
  H      -3.981695      0.508703      9.170079
  H      -8.062591      5.103161      8.899895
  H     -10.940812      4.595882      5.360176
  H     -11.112619      2.974602      3.461772
  H      -9.495674      1.092239      3.278349
  H      -7.790266      0.723273      5.030714
  N      -2.356596      2.750981      3.274096
  N      -2.044052      3.453515      2.307844
  H      -1.512020      2.924235      1.580027
98
Coordinates from ORCA-job orca E -6706.545961856922
  N      -2.871426      3.529828      5.852434
  Mo     -2.779754      1.786704      4.803769
  N      -2.923328      0.738661      6.622337
  C      -1.683292      0.658381      7.367619
  C      -0.804889      1.867092      7.093518
  N      -0.716513      2.135022      5.628046
  C      -0.444421      3.574392      5.366804
  C      -1.706493      4.405781      5.710363
  C       0.278471      1.225587      4.980398
  C      -0.352153      0.610494      3.724274
  N      -1.694906      0.205108      4.065471
  H      -1.865869      5.161882      4.925072
  H      -1.545239      4.963447      6.649198
  H      -0.197450      3.668407      4.302400
  H       0.432846      3.902879      5.951229
  H       0.267732     -0.233097      3.371143
  H      -0.372216      1.370620      2.923506
  H       0.507813      0.423600      5.695428
  H       1.209056      1.775098      4.767657
  H      -1.846690      0.617469      8.463947
  H      -1.128353     -0.280552      7.122512
  H      -1.245016      2.752286      7.564526
  H       0.210399      1.730880      7.503812
  C      -3.626095      3.732664      7.071421
  C      -4.422691      5.040934      7.069572
  O      -5.325445      5.085600      5.938004
  C      -4.962641      5.886020      4.920946
  O      -3.983762      6.615380      4.913477
  C      -5.953787      5.834800      3.782177
  N      -7.210494      5.559541      4.101302
  C      -8.126497      5.627906      3.102166
  N      -7.916187      5.948427      1.839654
  C      -6.621550      6.204224      1.486788
  C      -6.333239      6.517173      0.136107
  C      -5.031754      6.747563     -0.253934
  C      -3.975727      6.668031      0.684343
  C      -4.224471      6.375350      2.008911
  C      -5.555039      6.147544      2.446266
  C      -1.938332     -1.201646      4.244231
  C      -3.406936     -1.562901      3.935133
  O      -3.924577     -0.751552      2.847715
  C      -4.298689      0.500205      3.180470
  O      -4.608034      0.792695      4.384443
  C      -4.626192      1.363189      2.023017
  N      -5.719558      2.109465      2.172747
  C      -6.103115      2.848666      1.106715
  N      -5.516259      2.929418     -0.076034
  C      -4.363667      2.215089     -0.225899
  C      -3.653082      2.305252     -1.450084
  C      -2.471030      1.615531     -1.619328
  C      -1.947255      0.820860     -0.572434
  C      -2.619829      0.706432      0.627858
  C      -3.850612      1.383104      0.822555
  C      -3.897047     -0.215734      7.094394
  C      -4.645572      0.164154      8.374869
  O      -5.527676      1.300172      8.160671
  C      -6.684375      1.047114      7.523206
  O      -7.060926     -0.059348      7.174126
  C      -7.494463      2.305574      7.324974
  N      -7.395055      3.227994      8.272897
  C      -8.230423      4.294194      8.178279
  N      -9.173499      4.493990      7.278624
  C      -9.258847      3.573145      6.275667
  C     -10.234695      3.747718      5.264038
  C     -10.289675      2.870068      4.202659
  C      -9.372981      1.795309      4.107393
  C      -8.439894      1.573228      5.097804
  C      -8.380649      2.440540      6.217598
  H      -2.989079      3.779377      7.983775
  H      -4.316666      2.895590      7.202244
  H      -3.767786      5.921542      7.035503
  H      -5.062596      5.077713      7.962376
  H      -9.153339      5.393109      3.392857
  H      -7.164066      6.548935     -0.569645
  H      -4.807891      6.980333     -1.296843
  H      -2.949230      6.834156      0.353107
  H      -3.410012      6.320078      2.726224
  H      -1.731059     -1.583846      5.268011
  H      -1.275873     -1.761351      3.558208
  H      -4.049333     -1.426269      4.809041
  H      -3.487511     -2.597025      3.581912
  H      -7.019402      3.429445      1.245595
  H      -4.069251      2.935864     -2.236460
  H      -1.926948      1.690082     -2.562837
  H      -0.998728      0.299312     -0.713071
  H      -2.209075      0.115891      1.445291
  H      -4.657760     -0.379485      6.321443
  H      -3.425749     -1.205566      7.299369
  H      -5.242887     -0.686821      8.732525
  H      -3.969588      0.502823      9.170669
  H      -8.114509      5.055131      8.956312
  H     -10.906992      4.602914      5.343526
  H     -11.030096      3.014400      3.413523
  H      -9.406300      1.135813      3.238729
  H      -7.744603      0.739053      5.024311
  N      -2.382896      2.765148      3.274525
  N      -2.080014      3.475955      2.311260
  H      -1.557496      2.952603      1.572933
98
Coordinates from ORCA-job orca E -6706.546197451186
  N      -2.878527      3.532888      5.856168
  Mo     -2.783352      1.792220      4.802772
  N      -2.925916      0.740375      6.618892
  C      -1.685158      0.658238      7.362746
  C      -0.808017      1.868239      7.091124
  N      -0.721204      2.139538      5.625969
  C      -0.451580      3.580198      5.368267
  C      -1.713672      4.409035      5.719947
  C       0.275047      1.234337      4.975503
  C      -0.355208      0.621773      3.718829
  N      -1.696206      0.212457      4.061346
  H      -1.872407      5.172048      4.940959
  H      -1.550343      4.959702      6.662832
  H      -0.210253      3.677689      4.302800
  H       0.428870      3.906958      5.948991
  H       0.266054     -0.218847      3.361446
  H      -0.379125      1.385211      2.921276
  H       0.507272      0.431588      5.688754
  H       1.204385      1.786328      4.763413
  H      -1.847554      0.613620      8.459073
  H      -1.129473     -0.279087      7.113887
  H      -1.247847      2.752354      7.564148
  H       0.207498      1.731679      7.500401
  C      -3.636779      3.732477      7.072392
  C      -4.437977      5.037717      7.072431
  O      -5.336917      5.084800      5.937200
  C      -4.968569      5.881725      4.919107
  O      -3.988432      6.610691      4.911511
  C      -5.959633      5.834353      3.780461
  N      -7.222281      5.592938      4.105366
  C      -8.138461      5.673716      3.107585
  N      -7.922696      5.975583      1.841587
  C      -6.622213      6.195635      1.482650
  C      -6.328863      6.490355      0.129119
  C      -5.022355      6.686976     -0.266115
  C      -3.965917      6.587630      0.669228
  C      -4.219334      6.311082      1.996569
  C      -5.555252      6.122273      2.440067
  C      -1.934854     -1.195536      4.237924
  C      -3.401556     -1.562575      3.929427
  O      -3.921966     -0.753422      2.842568
  C      -4.297379      0.497369      3.175252
  O      -4.607250      0.791257      4.378598
  C      -4.622466      1.364826      2.020562
  N      -5.715793      2.110710      2.172548
  C      -6.101373      2.852412      1.109352
  N      -5.518959      2.934123     -0.075137
  C      -4.366171      2.220675     -0.227656
  C      -3.659194      2.312924     -1.452716
  C      -2.474244      1.628940     -1.623348
  C      -1.945187      0.835623     -0.577815
  C      -2.615767      0.716308      0.622441
  C      -3.848522      1.388758      0.818856
  C      -3.899310     -0.214899      7.090371
  C      -4.641814      0.160125      8.375984
  O      -5.526297      1.295704      8.170128
  C      -6.685622      1.042548      7.537557
  O      -7.060946     -0.063299      7.185019
  C      -7.500817      2.299121      7.348328
  N      -7.419841      3.208079      8.311569
  C      -8.260559      4.270997      8.220909
  N      -9.188242      4.482206      7.307328
  C      -9.253891      3.575693      6.289042
  C     -10.212006      3.763814      5.262809
  C     -10.250357      2.899141      4.190341
  C      -9.333612      1.824229      4.098701
  C      -8.416565      1.589731      5.101217
  C      -8.373537      2.444678      6.231207
  H      -3.001724      3.779391      7.986117
  H      -4.325669      2.893353      7.200580
  H      -3.787074      5.921794      7.047998
  H      -5.082519      5.065727      7.962129
  H      -9.171099      5.470321      3.403787
  H      -7.160309      6.536687     -0.574586
  H      -4.795040      6.907228     -1.310701
  H      -2.935791      6.724306      0.333423
  H      -3.403259      6.235424      2.709704
  H      -1.726508     -1.579093      5.261301
  H      -1.270881     -1.751821      3.550520
  H      -4.043365     -1.427927      4.803849
  H      -3.476862     -2.597185      3.575861
  H      -7.017027      3.432041      1.251514
  H      -4.080199      2.941678     -2.238727
  H      -1.931965      1.706487     -2.566836
  H      -0.994265      0.319787     -0.719672
  H      -2.201734      0.125965      1.438262
  H      -4.663050     -0.374595      6.319549
  H      -3.428153     -1.206096      7.289179
  H      -5.237025     -0.692568      8.732935
  H      -3.961615      0.494968      9.169772
  H      -8.163732      5.018079      9.015298
  H     -10.885286      4.618337      5.341884
  H     -10.977297      3.053924      3.390714
  H      -9.352923      1.174988      3.222765
  H      -7.720070      0.756863      5.029123
  N      -2.386758      2.775492      3.276908
  N      -2.084507      3.494188      2.318808
  H      -1.568551      2.973458      1.573858
98
Coordinates from ORCA-job orca E -6706.546426811340
  N      -2.891697      3.536489      5.853844
  Mo     -2.787753      1.795676      4.800586
  N      -2.931074      0.738974      6.611003
  C      -1.691040      0.657143      7.357046
  C      -0.817722      1.871616      7.092757
  N      -0.726961      2.147084      5.628679
  C      -0.462969      3.589377      5.374630
  C      -1.727373      4.413594      5.730192
  C       0.274472      1.249662      4.977703
  C      -0.351586      0.638534      3.718680
  N      -1.689672      0.221360      4.060889
  H      -1.881304      5.184678      4.958068
  H      -1.566806      4.955650      6.678847
  H      -0.225070      3.689683      4.308630
  H       0.417894      3.917886      5.953545
  H       0.273399     -0.197700      3.357719
  H      -0.380529      1.405796      2.924749
  H       0.510366      0.446160      5.689015
  H       1.201536      1.806898      4.768785
  H      -1.855205      0.605434      8.452587
  H      -1.131188     -0.276170      7.103155
  H      -1.262486      2.752956      7.566154
  H       0.196531      1.737542      7.505909
  C      -3.660190      3.728318      7.063804
  C      -4.469513      5.028989      7.065835
  O      -5.368140      5.078264      5.930197
  C      -4.993752      5.874528      4.912254
  O      -4.006837      6.593430      4.904344
  C      -5.984952      5.845648      3.773512
  N      -7.253064      5.640600      4.098709
  C      -8.166303      5.743108      3.099806
  N      -7.941919      6.033224      1.833428
  C      -6.636242      6.216414      1.475019
  C      -6.333480      6.495924      0.121149
  C      -5.021820      6.651744     -0.273067
  C      -3.969656      6.523488      0.663761
  C      -4.232140      6.260645      1.991671
  C      -5.572649      6.115675      2.433526
  C      -1.919789     -1.187695      4.239508
  C      -3.382794     -1.565253      3.923363
  O      -3.899532     -0.763100      2.830154
  C      -4.282974      0.484829      3.161326
  O      -4.600047      0.776239      4.363366
  C      -4.606985      1.355590      2.008639
  N      -5.698942      2.105071      2.163175
  C      -6.087660      2.844983      1.099819
  N      -5.512952      2.917621     -0.090369
  C      -4.360343      2.201631     -0.244632
  C      -3.658370      2.284821     -1.473812
  C      -2.469561      1.606506     -1.642421
  C      -1.932829      0.824739     -0.592245
  C      -2.601047      0.709335      0.610364
  C      -3.836392      1.378124      0.804971
  C      -3.901422     -0.222293      7.078136
  C      -4.637714      0.143067      8.369832
  O      -5.520669      1.281263      8.177572
  C      -6.685984      1.031617      7.555385
  O      -7.064476     -0.071410      7.197167
  C      -7.504942      2.287883      7.385183
  N      -7.441940      3.174567      8.370024
  C      -8.285757      4.236317      8.289854
  N      -9.192170      4.471854      7.361009
  C      -9.238427      3.588185      6.321497
  C     -10.173727      3.802169      5.280592
  C     -10.197839      2.956630      4.192927
  C      -9.287966      1.875932      4.100251
  C      -8.390853      1.618201      5.113937
  C      -8.361895      2.454564      6.258840
  H      -3.031424      3.773050      7.981743
  H      -4.346299      2.885582      7.184764
  H      -3.826079      5.916812      7.050378
  H      -5.116939      5.046246      7.952313
  H      -9.204160      5.572549      3.395875
  H      -7.162289      6.562016     -0.584209
  H      -4.787022      6.858724     -1.318921
  H      -2.935555      6.622554      0.328363
  H      -3.417191      6.151555      2.701798
  H      -1.718022     -1.568115      5.265944
  H      -1.247362     -1.741189      3.558441
  H      -4.029012     -1.431204      4.794557
  H      -3.448137     -2.601434      3.572445
  H      -6.999977      3.431208      1.247548
  H      -4.085807      2.903510     -2.264379
  H      -1.930041      1.679534     -2.588046
  H      -0.978928      0.314659     -0.732933
  H      -2.183293      0.124402      1.428356
  H      -4.666767     -0.379012      6.308264
  H      -3.426652     -1.213190      7.269112
  H      -5.232480     -0.711814      8.722182
  H      -3.951787      0.468286      9.162520
  H      -8.209481      4.960464      9.106695
  H     -10.842578      4.659927      5.363313
  H     -10.907469      3.131341      3.383069
  H      -9.294471      1.241347      3.214342
  H      -7.697873      0.782738      5.040439
  N      -2.388193      2.780366      3.275965
  N      -2.088335      3.506483      2.321979
  H      -1.574232      2.990248      1.572931
98
Coordinates from ORCA-job orca E -6706.546641707872
  N      -2.901426      3.540960      5.857183
  Mo     -2.792545      1.803816      4.801403
  N      -2.934342      0.741803      6.607268
  C      -1.694049      0.660474      7.354088
  C      -0.823953      1.878621      7.094621
  N      -0.731905      2.157828      5.631425
  C      -0.473013      3.601119      5.379662
  C      -1.738425      4.420605      5.742137
  C       0.271827      1.265230      4.977673
  C      -0.353012      0.655802      3.716520
  N      -1.690045      0.233678      4.056597
  H      -1.890174      5.199017      4.976480
  H      -1.579395      4.953563      6.696375
  H      -0.240442      3.703713      4.312822
  H       0.408618      3.932476      5.955666
  H       0.274023     -0.177615      3.351866
  H      -0.385050      1.425784      2.925408
  H       0.511667      0.460894      5.686917
  H       1.196791      1.826023      4.769089
  H      -1.858147      0.603186      8.449130
  H      -1.131248     -0.269888      7.095725
  H      -1.272154      2.757596      7.569859
  H       0.190197      1.746878      7.509075
  C      -3.674436      3.725621      7.065214
  C      -4.490265      5.022589      7.067626
  O      -5.382753      5.069373      5.926885
  C      -5.001430      5.860138      4.908522
  O      -4.009207      6.570854      4.899530
  C      -5.992878      5.838200      3.770293
  N      -7.265886      5.670681      4.098465
  C      -8.176592      5.787818      3.098324
  N      -7.944808      6.060401      1.828997
  C      -6.634230      6.204838      1.468392
  C      -6.323917      6.465694      0.112692
  C      -5.008093      6.581661     -0.282126
  C      -3.959529      6.429092      0.655740
  C      -4.229368      6.185005      1.986009
  C      -5.573565      6.082702      2.427724
  C      -1.915100     -1.175626      4.234407
  C      -3.375681     -1.558864      3.914127
  O      -3.893726     -0.757068      2.821183
  C      -4.281012      0.487708      3.153671
  O      -4.598110      0.777463      4.355938
  C      -4.605903      1.360748      2.002923
  N      -5.699751      2.105525      2.158664
  C      -6.093760      2.841634      1.094978
  N      -5.522528      2.915600     -0.096173
  C      -4.366903      2.206325     -0.250260
  C      -3.667312      2.292333     -1.479959
  C      -2.476334      1.617088     -1.650683
  C      -1.933971      0.837805     -0.601089
  C      -2.599544      0.722126      0.603271
  C      -3.837672      1.386226      0.798688
  C      -3.901451     -0.224979      7.070626
  C      -4.635338      0.129506      8.367048
  O      -5.520503      1.267883      8.185217
  C      -6.690730      1.020184      7.571118
  O      -7.071991     -0.080337      7.209870
  C      -7.508862      2.277683      7.410075
  N      -7.458716      3.148384      8.408644
  C      -8.303088      4.210330      8.333520
  N      -9.193789      4.462655      7.394737
  C      -9.225367      3.595846      6.341333
  C     -10.142457      3.828432      5.288935
  C     -10.150530      2.999426      4.187504
  C      -9.242614      1.917209      4.092238
  C      -8.363532      1.641413      5.117050
  C      -8.350263      2.461520      6.274793
  H      -3.048784      3.768370      7.985402
  H      -4.357741      2.880111      7.181444
  H      -3.852422      5.914651      7.060175
  H      -5.143720      5.031569      7.950075
  H      -9.218456      5.647077      3.395724
  H      -7.150863      6.549809     -0.593408
  H      -4.767839      6.774735     -1.328983
  H      -2.923148      6.495008      0.320304
  H      -3.417289      6.054234      2.696739
  H      -1.715520     -1.556580      5.260901
  H      -1.239454     -1.726676      3.554544
  H      -4.023322     -1.428668      4.784097
  H      -3.436047     -2.594323      3.561881
  H      -7.007089      3.424434      1.243101
  H      -4.098417      2.910067     -2.269463
  H      -1.938772      1.691065     -2.597737
  H      -0.978400      0.329233     -0.744773
  H      -2.178488      0.139012      1.420882
  H      -4.668903     -0.378065      6.302204
  H      -3.423599     -1.215712      7.253786
  H      -5.227213     -0.729392      8.714650
  H      -3.947933      0.449436      9.159936
  H      -8.241129      4.919070      9.164037
  H     -10.809186      4.687694      5.373791
  H     -10.845093      3.189757      3.367722
  H      -9.234980      1.296408      3.194849
  H      -7.670789      0.805423      5.041960
  N      -2.396939      2.791172      3.278964
  N      -2.101119      3.520946      2.326536
  H      -1.588399      3.007686      1.574367
98
Coordinates from ORCA-job orca E -6706.546859915488
  N      -2.905550      3.544839      5.858220
  Mo     -2.794276      1.810844      4.803596
  N      -2.937664      0.744455      6.605097
  C      -1.697409      0.660694      7.352591
  C      -0.828139      1.880826      7.099328
  N      -0.733662      2.164503      5.637362
  C      -0.477560      3.608517      5.387889
  C      -1.742611      4.425333      5.755405
  C       0.271582      1.274719      4.981003
  C      -0.352695      0.666239      3.718227
  N      -1.690476      0.242238      4.055020
  H      -1.890034      5.211823      4.997143
  H      -1.586887      4.946627      6.716406
  H      -0.248877      3.712634      4.320529
  H       0.403960      3.942340      5.962597
  H       0.274868     -0.166482      3.352308
  H      -0.384969      1.436738      2.927943
  H       0.514887      0.469716      5.688258
  H       1.194459      1.838537      4.771776
  H      -1.861684      0.597326      8.447051
  H      -1.133566     -0.267450      7.088758
  H      -1.278268      2.757819      7.576954
  H       0.185613      1.749261      7.514900
  C      -3.687058      3.725165      7.061506
  C      -4.506819      5.020221      7.062593
  O      -5.395585      5.066172      5.918710
  C      -5.013169      5.858255      4.901384
  O      -4.018874      6.565768      4.891715
  C      -6.007316      5.843497      3.765847
  N      -7.283321      5.713720      4.098897
  C      -8.192513      5.845189      3.098962
  N      -7.956332      6.102332      1.827060
  C      -6.642896      6.206581      1.461969
  C      -6.327778      6.447892      0.103801
  C      -5.009694      6.519775     -0.294241
  C      -3.964467      6.340670      0.642366
  C      -4.238448      6.117198      1.975472
  C      -5.584161      6.061482      2.419920
  C      -1.913985     -1.166603      4.233059
  C      -3.371642     -1.553404      3.899315
  O      -3.885358     -0.746240      2.807876
  C      -4.276004      0.495956      3.143210
  O      -4.595326      0.781823      4.345609
  C      -4.600631      1.369222      1.992389
  N      -5.696128      2.111888      2.147133
  C      -6.093544      2.842157      1.080792
  N      -5.524185      2.911189     -0.111723
  C      -4.365133      2.207169     -0.263137
  C      -3.666292      2.291322     -1.493681
  C      -2.472485      1.621177     -1.661659
  C      -1.925941      0.849207     -0.608692
  C      -2.590631      0.735314      0.596227
  C      -3.831678      1.394458      0.788963
  C      -3.902496     -0.226711      7.064325
  C      -4.633256      0.114397      8.367005
  O      -5.520435      1.253853      8.197427
  C      -6.694666      1.008045      7.590149
  O      -7.078819     -0.090353      7.226692
  C      -7.514159      2.266382      7.440178
  N      -7.480999      3.119949      8.454566
  C      -8.326174      4.182166      8.382983
  N      -9.198902      4.450599      7.432118
  C      -9.212779      3.601146      6.363978
  C     -10.110189      3.851014      5.298213
  C     -10.102283      3.035886      4.186264
  C      -9.197204      1.951586      4.092101
  C      -8.335936      1.660356      5.128372
  C      -8.338626      2.466465      6.295522
  H      -3.066800      3.765163      7.985606
  H      -4.369314      2.878267      7.171003
  H      -3.873760      5.915577      7.059964
  H      -5.163520      5.022965      7.942718
  H      -9.237251      5.733730      3.398981
  H      -7.153173      6.551462     -0.601395
  H      -4.766001      6.696517     -1.343171
  H      -2.927270      6.369507      0.304657
  H      -3.429213      5.964809      2.684741
  H      -1.723356     -1.546866      5.261047
  H      -1.232058     -1.717991      3.559645
  H      -4.025974     -1.430688      4.765167
  H      -3.427339     -2.586677      3.540545
  H      -7.007977      3.424097      1.226290
  H      -4.099414      2.904668     -2.285024
  H      -1.935038      1.694348     -2.609157
  H      -0.968439      0.344781     -0.751599
  H      -2.166903      0.158567      1.416880
  H      -4.673669     -0.372969      6.298095
  H      -3.422750     -1.218498      7.236741
  H      -5.222751     -0.748965      8.707323
  H      -3.944755      0.427377      9.161757
  H      -8.281563      4.875755      9.227740
  H     -10.775205      4.711554      5.382652
  H     -10.782991      3.238938      3.357225
  H      -9.178385      1.341571      3.187395
  H      -7.644867      0.822429      5.055083
  N      -2.400507      2.798443      3.280752
  N      -2.106429      3.527973      2.327767
  H      -1.590805      3.016681      1.576062
98
Coordinates from ORCA-job orca E -6706.547068385180
  N      -2.911990      3.546493      5.860868
  Mo     -2.792561      1.817144      4.804982
  N      -2.941221      0.746478      6.602134
  C      -1.701072      0.659911      7.350261
  C      -0.833272      1.882475      7.103865
  N      -0.736124      2.171972      5.643307
  C      -0.484398      3.617464      5.397880
  C      -1.749107      4.429419      5.774423
  C       0.273027      1.286134      4.986093
  C      -0.348330      0.676789      3.721557
  N      -1.686974      0.250345      4.052720
  H      -1.894499      5.227500      5.027955
  H      -1.597477      4.934945      6.744378
  H      -0.260283      3.725831      4.329990
  H       0.397520      3.953577      5.970970
  H       0.281382     -0.154705      3.356504
  H      -0.379340      1.447618      2.931755
  H       0.520212      0.481121      5.691846
  H       1.193152      1.854261      4.776824
  H      -1.865436      0.590092      8.444239
  H      -1.136414     -0.266087      7.080776
  H      -1.286874      2.755939      7.584724
  H       0.179942      1.751921      7.521006
  C      -3.706807      3.718887      7.057373
  C      -4.531292      5.010381      7.055467
  O      -5.414260      5.056405      5.906823
  C      -5.031659      5.853176      4.893487
  O      -4.035408      6.557194      4.884802
  C      -6.029851      5.850230      3.761249
  N      -7.307829      5.762393      4.099313
  C      -8.215102      5.910065      3.099600
  N      -7.975247      6.151102      1.825271
  C      -6.660335      6.211171      1.455717
  C      -6.340691      6.429269      0.094382
  C      -5.021797      6.448575     -0.307419
  C      -3.981548      6.241212      0.628203
  C      -4.258941      6.044161      1.964818
  C      -5.604244      6.040359      2.412104
  C      -1.910359     -1.157986      4.234154
  C      -3.366229     -1.546474      3.886319
  O      -3.873404     -0.734864      2.794078
  C      -4.266166      0.506600      3.130506
  O      -4.588899      0.788693      4.332563
  C      -4.589665      1.378704      1.978180
  N      -5.686027      2.120711      2.130983
  C      -6.086531      2.844398      1.061341
  N      -5.519336      2.905634     -0.132357
  C      -4.357271      2.206158     -0.281097
  C      -3.658956      2.287529     -1.512629
  C      -2.463049      1.620647     -1.677397
  C      -1.913062      0.856050     -0.620525
  C      -2.576272      0.745957      0.585252
  C      -3.820242      1.400602      0.775059
  C      -3.904398     -0.229051      7.054712
  C      -4.630663      0.096698      8.363812
  O      -5.519541      1.237509      8.208816
  C      -6.698361      0.995086      7.609227
  O      -7.084471     -0.100378      7.239439
  C      -7.518091      2.255104      7.472140
  N      -7.501046      3.087637      8.503995
  C      -8.344480      4.152172      8.438731
  N      -9.198751      4.440987      7.477605
  C      -9.196501      3.612439      6.393305
  C     -10.075337      3.883338      5.317265
  C     -10.050845      3.087175      4.191986
  C      -9.146981      2.002233      4.092882
  C      -8.302856      1.691653      5.137605
  C      -8.323502      2.477481      6.318239
  H      -3.096656      3.756026      7.988030
  H      -4.387012      2.868682      7.154854
  H      -3.902410      5.908879      7.058158
  H      -5.192615      5.007834      7.932186
  H      -9.262043      5.829904      3.402431
  H      -7.163501      6.554314     -0.610244
  H      -4.775111      6.603845     -1.359376
  H      -2.944765      6.226217      0.287798
  H      -3.453171      5.870970      2.672760
  H      -1.729172     -1.534565      5.265116
  H      -1.221930     -1.712108      3.569550
  H      -4.029091     -1.428631      4.747168
  H      -3.419419     -2.578387      3.522811
  H      -7.002196      3.425342      1.203013
  H      -4.093571      2.896618     -2.306253
  H      -1.925875      1.691588     -2.625243
  H      -0.953804      0.354704     -0.761768
  H      -2.149530      0.176805      1.409876
  H      -4.678978     -0.366157      6.289835
  H      -3.423976     -1.222873      7.214114
  H      -5.218355     -0.770919      8.695650
  H      -3.941117      0.402238      9.160901
  H      -8.314284      4.829171      9.297523
  H     -10.739554      4.744098      5.405722
  H     -10.718681      3.305392      3.356377
  H      -9.116497      1.407067      3.178515
  H      -7.613442      0.852191      5.060995
  N      -2.393737      2.804201      3.282619
  N      -2.097081      3.531208      2.328874
  H      -1.576730      3.020642      1.578955
98
Coordinates from ORCA-job orca E -6706.547253361126
  N      -2.918015      3.547437      5.863545
  Mo     -2.791029      1.821580      4.806476
  N      -2.944291      0.747315      6.600741
  C      -1.704588      0.659136      7.349512
  C      -0.839310      1.884484      7.109920
  N      -0.738265      2.178863      5.650536
  C      -0.490417      3.625813      5.409769
  C      -1.755251      4.432333      5.793467
  C       0.274606      1.296600      4.993845
  C      -0.342432      0.685637      3.727917
  N      -1.681989      0.256896      4.052737
  H      -1.900296      5.241442      5.059128
  H      -1.608045      4.922688      6.771827
  H      -0.268281      3.739210      4.342001
  H       0.391230      3.962555      5.983050
  H       0.290181     -0.144784      3.365479
  H      -0.371276      1.456213      2.937801
  H       0.524228      0.492045      5.699212
  H       1.192473      1.868645      4.785404
  H      -1.869664      0.583820      8.443025
  H      -1.138320     -0.264686      7.075978
  H      -1.297834      2.754504      7.592526
  H       0.172882      1.755584      7.530107
  C      -3.727157      3.713613      7.052028
  C      -4.554462      5.002558      7.046564
  O      -5.433296      5.050729      5.894631
  C      -5.050411      5.853262      4.885926
  O      -4.050976      6.552398      4.877701
  C      -6.053724      5.865629      3.757932
  N      -7.332078      5.821848      4.102119
  C      -8.238011      5.987258      3.103655
  N      -7.995989      6.209827      1.826398
  C      -6.681426      6.224488      1.451308
  C      -6.358920      6.419374      0.086793
  C      -5.041633      6.385603     -0.319277
  C      -4.006518      6.150191      0.614603
  C      -4.285352      5.980164      1.954547
  C      -5.628054      6.028398      2.405484
  C      -1.904385     -1.151336      4.236866
  C      -3.356972     -1.542254      3.873745
  O      -3.857808     -0.726008      2.781465
  C      -4.255654      0.514221      3.118670
  O      -4.582696      0.791916      4.320332
  C      -4.578934      1.383878      1.964452
  N      -5.675830      2.125632      2.115085
  C      -6.079482      2.842518      1.042044
  N      -5.514970      2.895772     -0.153119
  C      -4.350540      2.199541     -0.299741
  C      -3.654029      2.276634     -1.532829
  C      -2.456213      1.612726     -1.695037
  C      -1.902385      0.856092     -0.634487
  C      -2.562931      0.750929      0.572920
  C      -3.809141      1.401848      0.760808
  C      -3.905994     -0.232663      7.045926
  C      -4.627529      0.078069      8.361076
  O      -5.519181      1.219445      8.221159
  C      -6.700004      0.980617      7.624563
  O      -7.086809     -0.111746      7.246110
  C      -7.520872      2.241677      7.500267
  N      -7.522517      3.051956      8.549958
  C      -8.364455      4.118504      8.491424
  N      -9.199868      4.427825      7.520107
  C      -9.179441      3.621014      6.419417
  C     -10.038548      3.913542      5.333057
  C      -9.995007      3.138317      4.194158
  C      -9.091267      2.053633      4.090975
  C      -8.265510      1.722819      5.144000
  C      -8.306297      2.486640      6.337747
  H      -3.126917      3.748603      7.989087
  H      -4.405412      2.860820      7.138197
  H      -3.927048      5.901957      7.051823
  H      -5.218748      4.998847      7.920879
  H      -9.286028      5.940811      3.410704
  H      -7.178726      6.566681     -0.616917
  H      -4.793871      6.519220     -1.373992
  H      -2.972411      6.090523      0.270744
  H      -3.482282      5.786810      2.660373
  H      -1.732766     -1.523876      5.270872
  H      -1.208411     -1.707216      3.581718
  H      -4.029428     -1.431986      4.728771
  H      -3.405030     -2.572016      3.503085
  H      -6.994730      3.425956      1.182511
  H      -4.091223      2.879874     -2.329544
  H      -1.920518      1.679833     -2.643778
  H      -0.941685      0.357539     -0.774100
  H      -2.132822      0.189138      1.401083
  H      -4.683168     -0.360535      6.281825
  H      -3.425827     -1.228847      7.192149
  H      -5.213209     -0.793782      8.685090
  H      -3.936969      0.377131      9.159940
  H      -8.349506      4.778410      9.364242
  H     -10.703323      4.773400      5.425200
  H     -10.648457      3.372204      3.351435
  H      -9.046764      1.475319      3.166790
  H      -7.576822      0.883124      5.062964
  N      -2.386654      2.807626      3.284453
  N      -2.084790      3.531908      2.330436
  H      -1.560226      3.020051      1.583812
98
Coordinates from ORCA-job orca E -6706.547424268845
  N      -2.929063      3.548106      5.866514
  Mo     -2.792761      1.824863      4.807086
  N      -2.947229      0.746923      6.599702
  C      -1.707310      0.659244      7.347774
  C      -0.846965      1.888821      7.113655
  N      -0.743936      2.187540      5.655093
  C      -0.501766      3.636370      5.418750
  C      -1.767266      4.435736      5.811323
  C       0.273434      1.310136      4.999104
  C      -0.338890      0.695690      3.732744
  N      -1.678292      0.263492      4.052934
  H      -1.915037      5.256014      5.090248
  H      -1.622517      4.911237      6.797524
  H      -0.282957      3.755395      4.350891
  H       0.380685      3.973523      5.990641
  H       0.297687     -0.133038      3.373696
  H      -0.366587      1.465550      2.941865
  H       0.526434      0.506968      5.704814
  H       1.188530      1.886855      4.791221
  H      -1.872077      0.578936      8.441050
  H      -1.138229     -0.261788      7.070817
  H      -1.311692      2.754620      7.597797
  H       0.164528      1.763263      7.536449
  C      -3.751400      3.707642      7.047249
  C      -4.578799      4.995781      7.041171
  O      -5.453006      5.050132      5.885576
  C      -5.067925      5.858877      4.883169
  O      -4.064336      6.551678      4.876529
  C      -6.075107      5.888991      3.758691
  N      -7.352506      5.890823      4.108200
  C      -8.256261      6.073019      3.110267
  N      -8.012129      6.272622      1.829685
  C      -6.699209      6.241570      1.450167
  C      -6.373922      6.410494      0.082482
  C      -5.060042      6.325827     -0.325941
  C      -4.031018      6.066839      0.608008
  C      -4.311156      5.924682      1.950533
  C      -5.649793      6.023147      2.403395
  C      -1.898381     -1.144898      4.239892
  C      -3.347801     -1.539012      3.866326
  O      -3.844748     -0.721380      2.772930
  C      -4.249147      0.517611      3.109417
  O      -4.580873      0.792109      4.310489
  C      -4.572763      1.384164      1.953046
  N      -5.670662      2.125104      2.100897
  C      -6.077271      2.835608      1.024636
  N      -5.516050      2.880147     -0.172317
  C      -4.349384      2.186991     -0.316776
  C      -3.655348      2.258799     -1.551552
  C      -2.455215      1.598488     -1.711362
  C      -1.896796      0.851345     -0.646857
  C      -2.554129      0.752061      0.562768
  C      -3.802736      1.398689      0.748723
  C      -3.906462     -0.238220      7.038009
  C      -4.622265      0.058343      8.358831
  O      -5.516856      1.199625      8.233989
  C      -6.697742      0.964706      7.636742
  O      -7.083645     -0.124269      7.247068
  C      -7.520016      2.225839      7.523866
  N      -7.543715      3.013084      8.590734
  C      -8.385486      4.080332      8.537868
  N      -9.200944      4.409868      7.556008
  C      -9.158279      3.625971      6.439094
  C      -9.995150      3.940489      5.341535
  C      -9.927364      3.189090      4.188224
  C      -9.020683      2.107040      4.081577
  C      -8.215940      1.755133      5.143849
  C      -8.282552      2.494002      6.351676
  H      -3.160366      3.738830      7.990524
  H      -4.428176      2.852598      7.121372
  H      -3.949827      5.894315      7.050402
  H      -5.246229      4.992294      7.913356
  H      -9.304291      6.063383      3.421527
  H      -7.189532      6.577676     -0.621645
  H      -4.811693      6.436308     -1.383178
  H      -3.001265      5.964097      0.262282
  H      -3.511060      5.713116      2.654892
  H      -1.732639     -1.512897      5.276453
  H      -1.196109     -1.701407      3.592167
  H      -4.027628     -1.434685      4.716774
  H      -3.390412     -2.567392      3.490786
  H      -6.992384      3.419649      1.164001
  H      -4.096120      2.855153     -2.351648
  H      -1.921714      1.660772     -2.661464
  H      -0.934369      0.355783     -0.784313
  H      -2.120359      0.197339      1.393945
  H      -4.685704     -0.358217      6.274672
  H      -3.426204     -1.236292      7.171582
  H      -5.205689     -0.817185      8.676753
  H      -3.929781      0.352070      9.158015
  H      -8.388387      4.722119      9.424473
  H     -10.662753      4.797724      5.436995
  H     -10.563627      3.439370      3.337290
  H      -8.956850      1.548333      3.146906
  H      -7.525259      0.917557      5.057839
  N      -2.383091      2.809675      3.285723
  N      -2.075208      3.529625      2.330553
  H      -1.547736      3.014808      1.588142
98
Coordinates from ORCA-job orca E -6706.547590065382
  N      -2.939684      3.548070      5.866491
  Mo     -2.794219      1.825251      4.805496
  N      -2.949691      0.745195      6.598738
  C      -1.710172      0.658896      7.346591
  C      -0.855377      1.892913      7.117271
  N      -0.749608      2.194464      5.659161
  C      -0.511916      3.645002      5.426862
  C      -1.778717      4.437690      5.824233
  C       0.272561      1.321225      5.005648
  C      -0.333661      0.701890      3.739053
  N      -1.673042      0.267142      4.054725
  H      -1.928931      5.266724      5.114069
  H      -1.636138      4.901365      6.816665
  H      -0.293590      3.768821      4.359468
  H       0.370460      3.981546      5.999084
  H       0.307008     -0.125913      3.385433
  H      -0.359147      1.469737      2.946132
  H       0.527588      0.520189      5.713052
  H       1.185467      1.901939      4.799125
  H      -1.875236      0.574866      8.439607
  H      -1.137556     -0.259436      7.068034
  H      -1.327271      2.754784      7.601291
  H       0.155114      1.771586      7.543572
  C      -3.772558      3.702987      7.040597
  C      -4.595944      4.993241      7.036349
  O      -5.468808      5.057362      5.879949
  C      -5.083145      5.874031      4.884676
  O      -4.075246      6.560514      4.878392
  C      -6.095046      5.921905      3.765264
  N      -7.369485      5.967259      4.122180
  C      -8.273124      6.162957      3.126364
  N      -8.030438      6.335081      1.841590
  C      -6.720954      6.261406      1.455699
  C      -6.396608      6.402881      0.084365
  C      -5.087643      6.275363     -0.327735
  C      -4.061808      6.001402      0.605463
  C      -4.340126      5.886044      1.950476
  C      -5.673536      6.027422      2.406691
  C      -1.891364     -1.141436      4.243558
  C      -3.337382     -1.538250      3.861199
  O      -3.830631     -0.720392      2.766373
  C      -4.242964      0.517190      3.101206
  O      -4.580771      0.789231      4.301219
  C      -4.566849      1.380118      1.942346
  N      -5.665940      2.119573      2.086315
  C      -6.074980      2.823615      1.006619
  N      -5.516313      2.860863     -0.191457
  C      -4.347799      2.170297     -0.332895
  C      -3.656329      2.236329     -1.568953
  C      -2.454026      1.579283     -1.726571
  C      -1.891580      0.841226     -0.658338
  C      -2.545855      0.748234      0.553517
  C      -3.796261      1.391656      0.737602
  C      -3.907271     -0.244121      7.031033
  C      -4.617943      0.040834      8.356623
  O      -5.515719      1.181652      8.246089
  C      -6.695141      0.950910      7.644414
  O      -7.078791     -0.134387      7.242200
  C      -7.519543      2.211175      7.541118
  N      -7.566032      2.977336      8.622462
  C      -8.409779      4.043250      8.574032
  N      -9.207495      4.389602      7.582948
  C      -9.141074      3.627257      6.451908
  C      -9.956026      3.961283      5.343654
  C      -9.861465      3.233792      4.177110
  C      -8.948913      2.156819      4.068305
  C      -8.164829      1.785943      5.139516
  C      -8.259925      2.499798      6.360067
  H      -3.188544      3.728930      7.988689
  H      -4.449763      2.847466      7.104366
  H      -3.961468      5.888119      7.047344
  H      -5.263959      4.993719      7.908206
  H      -9.319283      6.190674      3.444012
  H      -7.209411      6.584555     -0.619340
  H      -4.841676      6.363347     -1.387440
  H      -3.037452      5.863441      0.257319
  H      -3.540784      5.661858      2.652531
  H      -1.730475     -1.505316      5.282244
  H      -1.183519     -1.698060      3.602170
  H      -4.023473     -1.439421      4.707596
  H      -3.374306     -2.565530      3.481198
  H      -6.989121      3.409531      1.145852
  H      -4.100597      2.826285     -2.372125
  H      -1.922830      1.636592     -2.678010
  H      -0.927834      0.347612     -0.793295
  H      -2.109075      0.199125      1.386840
  H      -4.687743     -0.357647      6.268136
  H      -3.427560     -1.243899      7.154044
  H      -5.199047     -0.837728      8.670518
  H      -3.922945      0.330359      9.154962
  H      -8.431031      4.668193      9.472437
  H     -10.628489      4.814340      5.441145
  H     -10.479658      3.499360      3.317623
  H      -8.862184      1.618813      3.123562
  H      -7.468447      0.953639      5.048678
  N      -2.378379      2.807769      3.284407
  N      -2.061339      3.520633      2.326756
  H      -1.531137      2.998715      1.591618
98
Coordinates from ORCA-job orca E -6706.547759417512
  N      -2.955223      3.549118      5.864945
  Mo     -2.798332      1.826286      4.800514
  N      -2.952899      0.743027      6.594599
  C      -1.713871      0.659491      7.342600
  C      -0.866396      1.899433      7.118218
  N      -0.758538      2.204131      5.660536
  C      -0.526487      3.656601      5.432308
  C      -1.796191      4.441679      5.832513
  C       0.269932      1.337002      5.009483
  C      -0.329084      0.713254      3.741831
  N      -1.667340      0.273831      4.054032
  H      -1.948366      5.277317      5.130499
  H      -1.655096      4.897000      6.829416
  H      -0.308123      3.784562      4.365408
  H       0.355337      3.993369      6.005054
  H       0.316503     -0.112372      3.392347
  H      -0.354085      1.479903      2.947819
  H       0.527433      0.537822      5.718122
  H       1.180395      1.922498      4.805666
  H      -1.879024      0.571049      8.435260
  H      -1.135941     -0.254966      7.062309
  H      -1.346569      2.756678      7.601981
  H       0.143318      1.784091      7.547793
  C      -3.792593      3.697408      7.036637
  C      -4.610324      4.991071      7.039948
  O      -5.483225      5.067208      5.884107
  C      -5.094810      5.888257      4.894909
  O      -4.081281      6.566467      4.887614
  C      -6.110455      5.952891      3.780678
  N      -7.380060      6.044892      4.145524
  C      -8.284013      6.252031      3.151988
  N      -8.044941      6.388845      1.862563
  C      -6.740515      6.269637      1.470096
  C      -6.419558      6.377758      0.095064
  C      -5.116306      6.210305     -0.320787
  C      -4.091995      5.926967      0.611952
  C      -4.367192      5.840498      1.959484
  C      -5.694508      6.023948      2.418876
  C      -1.881324     -1.135608      4.242839
  C      -3.324172     -1.537694      3.858358
  O      -3.817667     -0.723658      2.761328
  C      -4.238598      0.511769      3.093470
  O      -4.582358      0.783933      4.292154
  C      -4.562797      1.372203      1.932943
  N      -5.663659      2.109364      2.073167
  C      -6.075156      2.807091      0.990269
  N      -5.519790      2.836800     -0.209639
  C      -4.349027      2.149625     -0.347527
  C      -3.660315      2.208796     -1.585034
  C      -2.454358      1.557883     -1.739636
  C      -1.886469      0.831920     -0.666539
  C      -2.538494      0.744740      0.547358
  C      -3.791915      1.382673      0.728302
  C      -3.908552     -0.250863      7.021443
  C      -4.616210      0.024294      8.350255
  O      -5.516005      1.164676      8.252549
  C      -6.692404      0.939766      7.642684
  O      -7.073080     -0.140578      7.225015
  C      -7.518946      2.198892      7.550761
  N      -7.591435      2.940857      8.647631
  C      -8.439395      4.003538      8.605008
  N      -9.217324      4.369466      7.604839
  C      -9.122766      3.632910      6.458240
  C      -9.912838      3.990118      5.339605
  C      -9.788948      3.290132      4.159109
  C      -8.870158      2.218750      4.046934
  C      -8.109274      1.825489      5.126732
  C      -8.235457      2.510681      6.360917
  H      -3.211864      3.715118      7.987234
  H      -4.471343      2.842461      7.091940
  H      -3.969081      5.881631      7.054929
  H      -5.278719      4.993700      7.912089
  H      -9.326169      6.322342      3.476403
  H      -7.230413      6.569420     -0.608245
  H      -4.874002      6.273791     -1.382869
  H      -3.073304      5.757494      0.261897
  H      -3.568636      5.606564      2.660142
  H      -1.720635     -1.497275      5.282323
  H      -1.169799     -1.689592      3.603305
  H      -4.012339     -1.441744      4.703231
  H      -3.355019     -2.565226      3.477991
  H      -6.989210      3.392271      1.128973
  H      -4.109419      2.790155     -2.391722
  H      -1.925357      1.610400     -2.692654
  H      -0.920340      0.342437     -0.797939
  H      -2.098242      0.202076      1.382858
  H      -4.688996     -0.360600      6.258294
  H      -3.428298     -1.251281      7.136841
  H      -5.195037     -0.856944      8.660948
  H      -3.918508      0.309532      9.147340
  H      -8.483063      4.607435      9.516834
  H     -10.590281      4.838814      5.440517
  H     -10.386356      3.574560      3.291387
  H      -8.757078      1.704618      3.092137
  H      -7.405736      0.999884      5.031035
  N      -2.378893      2.808921      3.281173
  N      -2.053952      3.514543      2.320318
  H      -1.521348      2.985500      1.593227
98
Coordinates from ORCA-job orca E -6706.547944899509
  N      -2.966394      3.547849      5.858714
  Mo     -2.800723      1.820999      4.795686
  N      -2.952026      0.739586      6.594953
  C      -1.713557      0.661635      7.343467
  C      -0.873026      1.906506      7.118902
  N      -0.764163      2.209060      5.660604
  C      -0.536145      3.662457      5.430721
  C      -1.809135      4.442937      5.828748
  C       0.269568      1.344927      5.013734
  C      -0.324154      0.712982      3.747560
  N      -1.661914      0.271837      4.059317
  H      -1.961798      5.279678      5.128155
  H      -1.668445      4.897035      6.826381
  H      -0.316814      3.789139      4.363873
  H       0.344768      4.001193      6.003375
  H       0.324338     -0.113153      3.404960
  H      -0.347843      1.474642      2.948956
  H       0.530065      0.549880      5.725940
  H       1.177590      1.933993      4.809523
  H      -1.878617      0.573005      8.436155
  H      -1.130156     -0.249968      7.064978
  H      -1.360244      2.761497      7.599424
  H       0.136503      1.798598      7.550768
  C      -3.802192      3.693988      7.031596
  C      -4.604658      4.996938      7.047909
  O      -5.482097      5.090838      5.896310
  C      -5.095502      5.920673      4.914320
  O      -4.078386      6.593915      4.906037
  C      -6.116800      5.999677      3.806745
  N      -7.380361      6.126493      4.182344
  C      -8.289461      6.337107      3.193685
  N      -8.060541      6.439405      1.899589
  C      -6.762209      6.288185      1.497635
  C      -6.451715      6.367022      0.118755
  C      -5.153699      6.179003     -0.304715
  C      -4.123578      5.900270      0.624188
  C      -4.389984      5.836323      1.974592
  C      -5.711699      6.042645      2.441118
  C      -1.874345     -1.137659      4.247838
  C      -3.316157     -1.541913      3.864425
  O      -3.810893     -0.731342      2.766083
  C      -4.238431      0.502120      3.095572
  O      -4.586225      0.775784      4.293310
  C      -4.566064      1.359057      1.933503
  N      -5.669325      2.092690      2.072520
  C      -6.085037      2.785565      0.988320
  N      -5.533357      2.812093     -0.213329
  C      -4.360678      2.128080     -0.350355
  C      -3.675914      2.183628     -1.589486
  C      -2.467695      1.536456     -1.745006
  C      -1.894315      0.817285     -0.670367
  C      -2.542467      0.734340      0.546159
  C      -3.797138      1.369758      0.727742
  C      -3.906081     -0.256518      7.021314
  C      -4.615349      0.017490      8.349290
  O      -5.516394      1.156525      8.253660
  C      -6.687151      0.933301      7.631251
  O      -7.062266     -0.144603      7.203075
  C      -7.516665      2.189628      7.539677
  N      -7.616477      2.916561      8.644263
  C      -8.472929      3.971999      8.598539
  N      -9.236003      4.344034      7.588961
  C      -9.111140      3.624562      6.434377
  C      -9.879732      3.991693      5.304291
  C      -9.722063      3.312267      4.115235
  C      -8.789013      2.253059      4.006442
  C      -8.049078      1.849298      5.097268
  C      -8.210831      2.512682      6.339427
  H      -3.220662      3.698445      7.982265
  H      -4.488657      2.845032      7.081139
  H      -3.951247      5.878898      7.064742
  H      -5.268887      5.004869      7.923636
  H      -9.325957      6.440150      3.526772
  H      -7.265732      6.557826     -0.581358
  H      -4.919529      6.222419     -1.369417
  H      -3.109150      5.715942      0.269335
  H      -3.587240      5.605300      2.672127
  H      -1.712240     -1.498871      5.287046
  H      -1.161993     -1.689900      3.607760
  H      -4.003696     -1.446949      4.709386
  H      -3.343743     -2.569775      3.485056
  H      -6.998950      3.370561      1.128959
  H      -4.129823      2.760593     -2.396741
  H      -1.942010      1.586615     -2.699907
  H      -0.927290      0.328858     -0.801616
  H      -2.098443      0.194783      1.381471
  H      -4.685034     -0.368612      6.257346
  H      -3.424348     -1.256005      7.137609
  H      -5.192591     -0.864629      8.660895
  H      -3.916817      0.303005      9.145178
  H      -8.539455      4.563110      9.517027
  H     -10.567323      4.832432      5.402496
  H     -10.300543      3.606474      3.237938
  H      -8.644972      1.758389      3.045309
  H      -7.331495      1.035726      5.003258
  N      -2.378934      2.799373      3.276010
  N      -2.042045      3.490323      2.308684
  H      -1.507523      2.946858      1.593971
98
Coordinates from ORCA-job orca E -6706.548084015800
  N      -2.984624      3.548413      5.852904
  Mo     -2.805359      1.820510      4.788478
  N      -2.955333      0.735611      6.588413
  C      -1.718722      0.661717      7.339883
  C      -0.886229      1.913243      7.121463
  N      -0.774010      2.218927      5.664053
  C      -0.552081      3.673885      5.436838
  C      -1.830822      4.447671      5.828353
  C       0.267997      1.362164      5.020021
  C      -0.317393      0.727639      3.751014
  N      -1.653861      0.279458      4.059322
  H      -1.980154      5.284418      5.126972
  H      -1.695491      4.901949      6.826635
  H      -0.328263      3.801243      4.371028
  H       0.324165      4.016674      6.013998
  H       0.335823     -0.095521      3.410055
  H      -0.342284      1.488742      2.952238
  H       0.531666      0.568109      5.732135
  H       1.172906      1.957192      4.819770
  H      -1.885380      0.567494      8.431658
  H      -1.127908     -0.244449      7.059123
  H      -1.382006      2.763770      7.601075
  H       0.122731      1.813100      7.556401
  C      -3.816714      3.687438      7.029366
  C      -4.608636      4.996939      7.061146
  O      -5.493442      5.106121      5.916485
  C      -5.106539      5.939362      4.938079
  O      -4.083556      6.603953      4.925514
  C      -6.132960      6.031749      3.837703
  N      -7.387483      6.206636      4.223489
  C      -8.300246      6.422451      3.238965
  N      -8.082622      6.481603      1.940729
  C      -6.793316      6.283233      1.529948
  C      -6.494871      6.320223      0.147341
  C      -5.204542      6.094715     -0.283966
  C      -4.170921      5.815057      0.641424
  C      -4.427035      5.785523      1.995491
  C      -5.739980      6.032737      2.468672
  C      -1.858921     -1.131593      4.244324
  C      -3.298603     -1.544333      3.863865
  O      -3.798128     -0.739605      2.763752
  C      -4.233112      0.490850      3.090924
  O      -4.585188      0.766169      4.287489
  C      -4.563724      1.346073      1.928252
  N      -5.670139      2.075013      2.065887
  C      -6.089358      2.762813      0.980109
  N      -5.541500      2.785017     -0.223498
  C      -4.366078      2.105271     -0.358796
  C      -3.684670      2.154948     -1.600039
  C      -2.471946      1.515540     -1.753205
  C      -1.891129      0.808577     -0.674164
  C      -2.537377      0.729151      0.543721
  C      -3.795981      1.357941      0.722705
  C      -3.906476     -0.265688      7.010357
  C      -4.620282      0.000785      8.338312
  O      -5.521342      1.140256      8.249023
  C      -6.686579      0.925032      7.612656
  O      -7.058657     -0.146424      7.167175
  C      -7.515363      2.182232      7.530856
  N      -7.645138      2.881383      8.649704
  C      -8.504738      3.934261      8.607442
  N      -9.242068      4.329813      7.588169
  C      -9.083484      3.640805      6.419518
  C      -9.819814      4.036409      5.278232
  C      -9.626232      3.388907      4.075997
  C      -8.687661      2.335271      3.965017
  C      -7.979516      1.903384      5.066216
  C      -8.178239      2.533714      6.320642
  H      -3.233670      3.677155      7.978885
  H      -4.509614      2.843308      7.073558
  H      -3.947727      5.873311      7.081221
  H      -5.268635      5.003998      7.940215
  H      -9.328568      6.570659      3.579380
  H      -7.311130      6.513217     -0.549576
  H      -4.978990      6.108998     -1.351330
  H      -3.163141      5.602145      0.281783
  H      -3.623463      5.551340      2.691277
  H      -1.693205     -1.495609      5.282058
  H      -1.145056     -1.677763      3.600619
  H      -3.984010     -1.449462      4.710029
  H      -3.320920     -2.573991      3.488906
  H      -7.002929      3.348665      1.121096
  H      -4.144657      2.722385     -2.410407
  H      -1.948473      1.562952     -2.709694
  H      -0.921125      0.325604     -0.803436
  H      -2.088575      0.197310      1.381281
  H      -4.683534     -0.378785      6.244875
  H      -3.420677     -1.263500      7.125392
  H      -5.196077     -0.884327      8.644288
  H      -3.922244      0.280783      9.136628
  H      -8.597466      4.501354      9.538061
  H     -10.510958      4.873858      5.378986
  H     -10.177935      3.707668      3.189954
  H      -8.511639      1.867674      2.995638
  H      -7.254422      1.096505      4.972014
  N      -2.383476      2.800335      3.270122
  N      -2.038829      3.481443      2.297890
  H      -1.500669      2.929053      1.592815
98
Coordinates from ORCA-job orca E -6706.548207023609
  N      -2.988336      3.549192      5.838363
  Mo     -2.796784      1.819458      4.778979
  N      -2.957254      0.739038      6.580049
  C      -1.724515      0.666607      7.338638
  C      -0.892704      1.919154      7.123447
  N      -0.772677      2.222326      5.666565
  C      -0.552139      3.676849      5.436649
  C      -1.835464      4.450110      5.816036
  C       0.275972      1.366364      5.030849
  C      -0.301222      0.726906      3.759744
  N      -1.639282      0.278919      4.061025
  H      -1.978586      5.281810      5.107370
  H      -1.706883      4.911327      6.811560
  H      -0.321382      3.800906      4.372000
  H       0.318700      4.024800      6.019034
  H       0.353960     -0.096796      3.423986
  H      -0.321866      1.486134      2.959163
  H       0.539909      0.575218      5.746127
  H       1.179674      1.963504      4.832501
  H      -1.896258      0.571817      8.429455
  H      -1.131427     -0.238671      7.059706
  H      -1.393130      2.769414      7.598885
  H       0.113985      1.823098      7.564339
  C      -3.817914      3.684264      7.018041
  C      -4.600464      4.999175      7.061991
  O      -5.493173      5.118828      5.924685
  C      -5.106669      5.951781      4.947341
  O      -4.077208      6.605210      4.929884
  C      -6.139543      6.059201      3.854786
  N      -7.386531      6.268010      4.249703
  C      -8.302480      6.492914      3.270026
  N      -8.094788      6.530233      1.969151
  C      -6.812949      6.299359      1.549827
  C      -6.524947      6.315612      0.164854
  C      -5.241454      6.065792     -0.273169
  C      -4.205303      5.780320      0.647523
  C      -4.451407      5.766635      2.003460
  C      -5.756841      6.039238      2.483250
  C      -1.846164     -1.131567      4.249463
  C      -3.282123     -1.548056      3.854627
  O      -3.776324     -0.742141      2.753314
  C      -4.213683      0.487741      3.078916
  O      -4.571052      0.763289      4.274034
  C      -4.545056      1.340786      1.915068
  N      -5.652971      2.068501      2.049521
  C      -6.073408      2.749309      0.960204
  N      -5.528699      2.761726     -0.245183
  C      -4.352192      2.083756     -0.377758
  C      -3.671886      2.123985     -1.621153
  C      -2.457312      1.486898     -1.769788
  C      -1.872948      0.791910     -0.684621
  C      -2.518364      0.721254      0.534542
  C      -3.779265      1.346621      0.708886
  C      -3.908497     -0.262938      6.999696
  C      -4.624940      0.001612      8.326998
  O      -5.529151      1.138168      8.239280
  C      -6.696928      0.921042      7.606245
  O      -7.063971     -0.148898      7.153779
  C      -7.533293      2.174401      7.536873
  N      -7.678854      2.854398      8.666254
  C      -8.545444      3.902603      8.632520
  N      -9.272158      4.312223      7.611593
  C      -9.097481      3.643560      6.432998
  C      -9.822301      4.055712      5.289922
  C      -9.617771      3.424353      4.081393
  C      -8.679553      2.371303      3.965296
  C      -7.980449      1.925481      5.066736
  C      -8.188725      2.540003      6.326575
  H      -3.235783      3.659773      7.967710
  H      -4.518118      2.845618      7.055943
  H      -3.935418      5.872107      7.082087
  H      -5.254055      5.004591      7.945711
  H      -9.324789      6.670357      3.616689
  H      -7.343549      6.515134     -0.527618
  H      -5.023531      6.065361     -1.341926
  H      -3.203487      5.549557      0.283699
  H      -3.646676      5.528586      2.696880
  H      -1.693082     -1.491596      5.290430
  H      -1.125442     -1.680441      3.615821
  H      -3.974410     -1.456803      4.695556
  H      -3.298437     -2.577147      3.478053
  H      -6.987042      3.335588      1.097219
  H      -4.134357      2.681479     -2.436388
  H      -1.934416      1.527162     -2.727607
  H      -0.901437      0.310515     -0.811768
  H      -2.067239      0.198072      1.376543
  H      -4.684343     -0.377540      6.233155
  H      -3.420127     -1.259156      7.116668
  H      -5.198377     -0.885726      8.631021
  H      -3.927512      0.280295      9.126445
  H      -8.655263      4.451117      9.573321
  H     -10.514521      4.891651      5.396785
  H     -10.162505      3.755488      3.195580
  H      -8.496104      1.914285      2.993382
  H      -7.254066      1.119964      4.970381
  N      -2.366097      2.794760      3.258802
  N      -2.014153      3.465506      2.282190
  H      -1.466068      2.908311      1.588563
98
Coordinates from ORCA-job orca E -6706.548315358703
  N      -2.997868      3.546627      5.825267
  Mo     -2.796788      1.815907      4.771464
  N      -2.959526      0.736197      6.571874
  C      -1.728932      0.666995      7.335138
  C      -0.899638      1.921670      7.124127
  N      -0.775562      2.224969      5.668341
  C      -0.559327      3.679494      5.436337
  C      -1.847126      4.450802      5.806885
  C       0.278307      1.372036      5.036178
  C      -0.293839      0.729353      3.764385
  N      -1.632353      0.278052      4.062329
  H      -1.986693      5.279456      5.093833
  H      -1.727523      4.915866      6.801400
  H      -0.324392      3.801207      4.372237
  H       0.306444      4.033945      6.022680
  H       0.363356     -0.093899      3.431458
  H      -0.313750      1.486673      2.962078
  H       0.544763      0.582723      5.752371
  H       1.179141      1.973683      4.838237
  H      -1.904792      0.570168      8.424945
  H      -1.132318     -0.235904      7.056231
  H      -1.403498      2.770897      7.597824
  H       0.106158      1.828962      7.567859
  C      -3.830292      3.678232      7.004561
  C      -4.600445      4.999305      7.063495
  O      -5.502620      5.135410      5.934573
  C      -5.118866      5.974324      4.959719
  O      -4.087144      6.624539      4.939489
  C      -6.158048      6.093073      3.874420
  N      -7.395920      6.336652      4.276747
  C      -8.313764      6.571224      3.301167
  N      -8.116355      6.584880      1.998388
  C      -6.843701      6.319955      1.572274
  C      -6.566180      6.311876      0.185032
  C      -5.290639      6.032317     -0.258908
  C      -4.253414      5.740553      0.657786
  C      -4.489282      5.747602      2.015593
  C      -5.785936      6.049761      2.500967
  C      -1.835840     -1.132721      4.251610
  C      -3.270752     -1.553400      3.852208
  O      -3.762163     -0.749545      2.747975
  C      -4.202873      0.480689      3.070716
  O      -4.566429      0.756095      4.264670
  C      -4.533654      1.328788      1.902548
  N      -5.643827      2.055183      2.030384
  C      -6.062000      2.729744      0.936385
  N      -5.515701      2.733407     -0.268428
  C      -4.337341      2.056840     -0.394724
  C      -3.653856      2.091532     -1.636463
  C      -2.436125      1.458822     -1.775951
  C      -1.850598      0.775239     -0.683495
  C      -2.498778      0.710998      0.533796
  C      -3.763730      1.330560      0.699140
  C      -3.908615     -0.267569      6.992187
  C      -4.626920     -0.003812      8.319435
  O      -5.530666      1.132939      8.231931
  C      -6.698635      0.914598      7.599996
  O      -7.064456     -0.154364      7.144479
  C      -7.538923      2.166408      7.539453
  N      -7.701870      2.825568      8.677726
  C      -8.570719      3.872588      8.649246
  N      -9.280201      4.299658      7.623859
  C      -9.087031      3.651839      6.437198
  C      -9.792907      4.083025      5.289457
  C      -9.569304      3.470534      4.074706
  C      -8.631219      2.418049      3.956369
  C      -7.949577      1.954905      5.061285
  C      -8.177056      2.550188      6.326551
  H      -3.252048      3.635888      7.955876
  H      -4.540249      2.846970      7.031313
  H      -3.930017      5.867961      7.086194
  H      -5.246882      5.000003      7.952505
  H      -9.329111      6.776622      3.652179
  H      -7.386121      6.518071     -0.503742
  H      -5.080322      6.012613     -1.329254
  H      -3.258495      5.486606      0.289853
  H      -3.684652      5.506020      2.707524
  H      -1.685834     -1.493754      5.293000
  H      -1.111863     -1.679967      3.620353
  H      -3.966446     -1.461298      4.690578
  H      -3.284948     -2.583576      3.479054
  H      -6.974372      3.321032      1.067107
  H      -4.116077      2.641145     -2.457795
  H      -1.910602      1.495249     -2.731846
  H      -0.876325      0.299004     -0.804835
  H      -2.046829      0.198873      1.382455
  H      -4.684719     -0.384401      6.226118
  H      -3.416738     -1.262073      7.111393
  H      -5.200772     -0.891988      8.619805
  H      -3.931318      0.272221      9.121929
  H      -8.695936      4.404358      9.597286
  H     -10.485538      4.918050      5.398581
  H     -10.100211      3.816733      3.186077
  H      -8.433395      1.974814      2.980456
  H      -7.222447      1.149749      4.964899
  N      -2.361714      2.788568      3.249052
  N      -2.002818      3.451025      2.269408
  H      -1.443827      2.891071      1.586826
98
Coordinates from ORCA-job orca E -6706.548407582690
  N      -3.007208      3.544723      5.813364
  Mo     -2.796249      1.815574      4.762134
  N      -2.962713      0.736911      6.561743
  C      -1.734712      0.671126      7.330380
  C      -0.907360      1.927079      7.122165
  N      -0.778918      2.229598      5.667103
  C      -0.566409      3.683954      5.434491
  C      -1.858562      4.452626      5.796648
  C       0.279144      1.378719      5.039312
  C      -0.286941      0.734502      3.766098
  N      -1.625704      0.279635      4.058746
  H      -1.997970      5.277048      5.078730
  H      -1.746931      4.923791      6.789015
  H      -0.326128      3.805964      4.371613
  H       0.294399      4.042881      6.025698
  H       0.373216     -0.086908      3.434464
  H      -0.306255      1.492422      2.964215
  H       0.545890      0.590971      5.757079
  H       1.178404      1.983291      4.843049
  H      -1.915730      0.574064      8.419220
  H      -1.135521     -0.230684      7.053635
  H      -1.413953      2.775992      7.593686
  H       0.097099      1.836851      7.569580
  C      -3.840724      3.671029      6.993544
  C      -4.602621      4.995440      7.068777
  O      -5.514299      5.147010      5.948848
  C      -5.130938      5.986993      4.974690
  O      -4.094800      6.629445      4.949385
  C      -6.177262      6.119150      3.897673
  N      -7.405073      6.396198      4.307234
  C      -8.324643      6.641143      3.335893
  N      -8.138001      6.634777      2.031727
  C      -6.875766      6.335926      1.598797
  C      -6.608907      6.306661      0.209576
  C      -5.342986      5.994350     -0.240161
  C      -4.305835      5.689991      0.671732
  C      -4.531022      5.715989      2.030739
  C      -5.817193      6.052062      2.522132
  C      -1.824426     -1.131786      4.249205
  C      -3.258071     -1.556998      3.849464
  O      -3.749916     -0.757285      2.742411
  C      -4.192509      0.474203      3.060201
  O      -4.561325      0.751585      4.252164
  C      -4.519430      1.316290      1.886706
  N      -5.631735      2.040993      2.004400
  C      -6.045906      2.706874      0.903723
  N      -5.496269      2.700160     -0.299360
  C      -4.316063      2.025786     -0.416268
  C      -3.628391      2.051222     -1.656007
  C      -2.407502      1.422566     -1.784121
  C      -1.821912      0.753716     -0.682462
  C      -2.473995      0.698615      0.532781
  C      -3.743798      1.311558      0.686752
  C      -3.910311     -0.268941      6.980943
  C      -4.630785     -0.008425      8.307815
  O      -5.536373      1.127254      8.223168
  C      -6.705007      0.908765      7.593711
  O      -7.068975     -0.157954      7.131783
  C      -7.548168      2.159573      7.544069
  N      -7.731735      2.793135      8.693613
  C      -8.601655      3.840156      8.672540
  N      -9.291199      4.289525      7.643113
  C      -9.077325      3.666941      6.446281
  C      -9.762569      4.121818      5.294985
  C      -9.519374      3.531848      4.073067
  C      -8.581590      2.479317      3.950025
  C      -7.918241      1.994785      5.056621
  C      -8.166287      2.566806      6.328866
  H      -3.265052      3.611917      7.945192
  H      -4.557722      2.845428      7.009355
  H      -3.928911      5.861393      7.093888
  H      -5.241672      4.989715      7.962754
  H      -9.332090      6.875223      3.691873
  H      -7.428977      6.524476     -0.475330
  H      -5.140813      5.957813     -1.311426
  H      -3.319512      5.409599      0.299233
  H      -3.727164      5.465609      2.720475
  H      -1.673480     -1.492949      5.290802
  H      -1.098890     -1.677165      3.618117
  H      -3.955840     -1.463820      4.686477
  H      -3.270101     -2.588605      3.479795
  H      -6.957202      3.301685      1.025560
  H      -4.089374      2.590745     -2.484856
  H      -1.878557      1.451530     -2.738201
  H      -0.844229      0.283128     -0.796051
  H      -2.022116      0.199418      1.389326
  H      -4.685711     -0.386657      6.214390
  H      -3.416306     -1.262387      7.100775
  H      -5.204152     -0.898609      8.603228
  H      -3.938486      0.265679      9.113713
  H      -8.745685      4.349950      9.630308
  H     -10.455786      4.955855      5.408338
  H     -10.035667      3.895633      3.182966
  H      -8.370285      2.051991      2.969950
  H      -7.192450      1.188532      4.957200
  N      -2.357132      2.787408      3.239338
  N      -1.993628      3.447883      2.260143
  H      -1.423738      2.889141      1.585108
98
Coordinates from ORCA-job orca E -6706.548486005783
  N      -3.016500      3.543996      5.802327
  Mo     -2.799399      1.816841      4.752715
  N      -2.966070      0.738931      6.551546
  C      -1.739326      0.676120      7.323247
  C      -0.912850      1.932315      7.115428
  N      -0.783267      2.234316      5.660669
  C      -0.573756      3.688764      5.428530
  C      -1.869816      4.455470      5.782749
  C       0.276607      1.384722      5.034883
  C      -0.286434      0.740213      3.761115
  N      -1.624602      0.281655      4.051732
  H      -2.012459      5.273751      5.058527
  H      -1.763755      4.935829      6.771287
  H      -0.327976      3.812546      4.367101
  H       0.282874      4.050114      6.024552
  H       0.376285     -0.078765      3.428729
  H      -0.307108      1.499651      2.960505
  H       0.542757      0.597738      5.753679
  H       1.175314      1.990688      4.839939
  H      -1.924124      0.580359      8.411561
  H      -1.139323     -0.225863      7.049277
  H      -1.419167      2.781610      7.586307
  H       0.091037      1.842305      7.564193
  C      -3.848699      3.665718      6.984518
  C      -4.601871      4.992779      7.078798
  O      -5.523009      5.161714      5.968473
  C      -5.138665      6.002720      4.994257
  O      -4.096964      6.635586      4.963098
  C      -6.191997      6.147508      3.925043
  N      -7.410521      6.455490      4.340356
  C      -8.331008      6.710167      3.372093
  N      -8.153732      6.685319      2.066501
  C      -6.901067      6.355257      1.628197
  C      -6.642596      6.308606      0.237099
  C      -5.385169      5.969195     -0.216365
  C      -4.348778      5.653042      0.692657
  C      -4.565908      5.694092      2.052437
  C      -5.842713      6.059190      2.547712
  C      -1.817585     -1.130549      4.243100
  C      -3.251012     -1.559687      3.850830
  O      -3.747179     -0.766987      2.740587
  C      -4.189954      0.466569      3.051775
  O      -4.561685      0.748560      4.241690
  C      -4.510791      1.302501      1.872564
  N      -5.624187      2.027944      1.978825
  C      -6.031104      2.687533      0.871845
  N      -5.476210      2.670156     -0.328650
  C      -4.295648      1.994672     -0.435199
  C      -3.602322      2.009560     -1.671815
  C      -2.379100      1.383222     -1.787416
  C      -1.795992      0.728218     -0.676254
  C      -2.453617      0.682974      0.536101
  C      -3.727461      1.291228      0.677357
  C      -3.912768     -0.267222      6.972709
  C      -4.631823     -0.007887      8.300343
  O      -5.539948      1.126401      8.217346
  C      -6.710813      0.903781      7.594542
  O      -7.074116     -0.163935      7.133909
  C      -7.557171      2.152338      7.547903
  N      -7.759925      2.768697      8.703108
  C      -8.630713      3.815614      8.682114
  N      -9.302154      4.279624      7.647255
  C      -9.069508      3.673091      6.445984
  C      -9.735365      4.143330      5.289308
  C      -9.471453      3.569304      4.064105
  C      -8.533289      2.516593      3.943354
  C      -7.889146      2.016839      5.054763
  C      -8.156996      2.574279      6.329212
  H      -3.273551      3.589079      7.934691
  H      -4.572824      2.846250      6.990102
  H      -3.924536      5.855659      7.107817
  H      -5.233110      4.979409      7.977641
  H      -9.331165      6.968630      3.732090
  H      -7.461723      6.538190     -0.445360
  H      -5.189225      5.920475     -1.288093
  H      -3.370110      5.351396      0.317279
  H      -3.763679      5.435385      2.741411
  H      -1.659269     -1.492062      5.283717
  H      -1.093607     -1.673269      3.607801
  H      -3.947375     -1.463081      4.688772
  H      -3.262576     -2.593365      3.486945
  H      -6.940731      3.286430      0.984079
  H      -4.060011      2.540327     -2.508186
  H      -1.845680      1.403522     -2.739085
  H      -0.815223      0.261772     -0.780720
  H      -2.004116      0.194976      1.400433
  H      -4.689078     -0.385621      6.207065
  H      -3.418054     -1.260433      7.092648
  H      -5.204651     -0.899131      8.593936
  H      -3.941176      0.266490      9.107646
  H      -8.791118      4.311262      9.644283
  H     -10.429720      4.976570      5.401066
  H      -9.972319      3.945089      3.170042
  H      -8.306767      2.100555      2.961399
  H      -7.164370      1.209389      4.956244
  N      -2.359729      2.788648      3.229680
  N      -1.996478      3.451155      2.252025
  H      -1.415988      2.897810      1.581252
98
Coordinates from ORCA-job orca E -6706.548481771561
  N      -2.990587      3.540512      5.802158
  Mo     -2.788925      1.811034      4.753212
  N      -2.963718      0.740251      6.555217
  C      -1.737879      0.672413      7.327762
  C      -0.900493      1.920448      7.112953
  N      -0.768917      2.215514      5.656409
  C      -0.548057      3.667638      5.419970
  C      -1.837896      4.444372      5.774178
  C       0.283128      1.355117      5.033099
  C      -0.285140      0.711244      3.761678
  N      -1.626028      0.263564      4.054755
  H      -1.980091      5.261089      5.048191
  H      -1.724322      4.927616      6.760753
  H      -0.301970      3.787378      4.358145
  H       0.312777      4.022340      6.013725
  H       0.372191     -0.113251      3.432375
  H      -0.300603      1.468249      2.958721
  H       0.540846      0.568018      5.754821
  H       1.187939      1.951822      4.837549
  H      -1.924103      0.585411      8.416657
  H      -1.145378     -0.236600      7.060980
  H      -1.398648      2.776275      7.580527
  H       0.102557      1.822496      7.561971
  C      -3.808784      3.666729      6.992785
  C      -4.557985      4.995298      7.093890
  O      -5.498809      5.162260      6.000129
  C      -5.130917      5.992770      5.010747
  O      -4.084399      6.615444      4.948234
  C      -6.220302      6.154635      3.980456
  N      -7.419601      6.472545      4.442227
  C      -8.371100      6.749989      3.510889
  N      -8.239702      6.742186      2.199402
  C      -7.007704      6.401648      1.712721
  C      -6.798602      6.372510      0.312493
  C      -5.564019      6.019330     -0.190132
  C      -4.501927      5.670579      0.677275
  C      -4.670823      5.695776      2.044655
  C      -5.922462      6.076534      2.590054
  C      -1.827946     -1.146140      4.253972
  C      -3.265433     -1.565183      3.871576
  O      -3.755569     -0.778662      2.754623
  C      -4.187396      0.460977      3.054906
  O      -4.560426      0.755472      4.241149
  C      -4.485338      1.294698      1.869067
  N      -5.587838      2.037781      1.961994
  C      -5.968946      2.706386      0.851298
  N      -5.394460      2.688202     -0.339908
  C      -4.223809      1.993951     -0.431462
  C      -3.512175      2.003642     -1.657113
  C      -2.299246      1.355354     -1.759662
  C      -1.745968      0.681385     -0.645065
  C      -2.422442      0.640348      0.557409
  C      -3.685674      1.273316      0.684759
  C      -3.919039     -0.256809      6.978509
  C      -4.642827      0.017672      8.299830
  O      -5.547477      1.153929      8.198784
  C      -6.717160      0.926526      7.576582
  O      -7.086121     -0.148212      7.136941
  C      -7.554116      2.179465      7.498734
  N      -7.750889      2.827857      8.637644
  C      -8.609779      3.883256      8.589045
  N      -9.275982      4.328298      7.542290
  C      -9.049004      3.688779      6.356899
  C      -9.708911      4.137184      5.188216
  C      -9.449944      3.530527      3.977421
  C      -8.522418      2.465380      3.883947
  C      -7.884577      1.986314      5.008279
  C      -8.148061      2.577631      6.268818
  H      -3.220475      3.591707      7.934803
  H      -4.533242      2.848004      7.010153
  H      -3.877308      5.855912      7.108361
  H      -5.173888      4.988527      8.003240
  H      -9.354089      7.015983      3.910519
  H      -7.636923      6.625851     -0.337609
  H      -5.406923      5.984291     -1.269083
  H      -3.543035      5.356642      0.263018
  H      -3.850222      5.409707      2.700634
  H      -1.666002     -1.502346      5.295517
  H      -1.110861     -1.697217      3.617988
  H      -3.958508     -1.454046      4.710040
  H      -3.287236     -2.601769      3.516793
  H      -6.871398      3.317266      0.953354
  H      -3.947583      2.548944     -2.495609
  H      -1.751566      1.371612     -2.703412
  H      -0.772816      0.196610     -0.737677
  H      -1.995819      0.136800      1.424114
  H      -4.691615     -0.375476      6.209156
  H      -3.432745     -1.253056      7.107005
  H      -5.220183     -0.868115      8.600925
  H      -3.955447      0.300243      9.106768
  H      -8.764899      4.405329      9.537896
  H     -10.395258      4.979754      5.278126
  H      -9.945184      3.888968      3.073207
  H      -8.298256      2.024375      2.912226
  H      -7.168568      1.168989      4.928708
  N      -2.347031      2.780318      3.230273
  N      -1.985990      3.447533      2.254900
  H      -1.408258      2.896105      1.579929
98
Coordinates from ORCA-job orca E -6706.547899478127
  N      -2.996042      3.537416      5.789225
  Mo     -2.806341      1.801367      4.749219
  N      -2.955018      0.746040      6.562922
  C      -1.719768      0.690263      7.320648
  C      -0.886612      1.936710      7.082072
  N      -0.774467      2.219481      5.620902
  C      -0.560126      3.670427      5.372774
  C      -1.846416      4.444691      5.742411
  C       0.269993      1.356452      4.990691
  C      -0.312234      0.701450      3.732706
  N      -1.646648      0.250096      4.047495
  H      -2.005958      5.259618      5.018152
  H      -1.720961      4.930065      6.727078
  H      -0.328601      3.785706      4.307107
  H       0.309234      4.028026      5.951988
  H       0.345536     -0.122606      3.403034
  H      -0.341700      1.451231      2.923355
  H       0.535238      0.575239      5.716001
  H       1.172298      1.952560      4.781116
  H      -1.893339      0.617139      8.412803
  H      -1.128712     -0.221443      7.060060
  H      -1.378407      2.796742      7.548508
  H       0.122231      1.841303      7.518925
  C      -3.810355      3.672398      6.980473
  C      -4.560935      5.000504      7.077565
  O      -5.489152      5.176896      5.974592
  C      -5.108642      6.017995      4.998529
  O      -4.061187      6.641481      4.955378
  C      -6.186093      6.191639      3.957073
  N      -7.397574      6.472007      4.407739
  C      -8.335998      6.774178      3.470869
  N      -8.179543      6.829407      2.163757
  C      -6.935379      6.526586      1.687678
  C      -6.698161      6.563724      0.291785
  C      -5.452189      6.239166     -0.202403
  C      -4.405347      5.855377      0.668826
  C      -4.601647      5.820649      2.032504
  C      -5.864911      6.171647      2.570013
  C      -1.836368     -1.158338      4.265217
  C      -3.278911     -1.584709      3.918582
  O      -3.784812     -0.820522      2.793220
  C      -4.216444      0.423046      3.076732
  O      -4.581984      0.734616      4.260360
  C      -4.511845      1.240921      1.880074
  N      -5.617625      1.978683      1.961474
  C      -5.992023      2.644308      0.846530
  N      -5.398368      2.639469     -0.335243
  C      -4.223139      1.951698     -0.413380
  C      -3.494986      1.975710     -1.627682
  C      -2.280843      1.328758     -1.721387
  C      -1.743589      0.641559     -0.607680
  C      -2.435233      0.587984      0.585530
  C      -3.698900      1.221869      0.703937
  C      -3.902481     -0.250947      7.004670
  C      -4.619416      0.034584      8.326676
  O      -5.536854      1.160569      8.214639
  C      -6.704749      0.908837      7.602698
  O      -7.065275     -0.179175      7.189062
  C      -7.560899      2.147847      7.515284
  N      -7.741050      2.819945      8.643231
  C      -8.614287      3.862425      8.590668
  N      -9.312609      4.272569      7.549878
  C      -9.102910      3.608946      6.374104
  C      -9.798356      4.018586      5.212089
  C      -9.554753      3.391514      4.007875
  C      -8.606976      2.343350      3.914499
  C      -7.934527      1.900554      5.033259
  C      -8.184500      2.511583      6.289141
  H      -3.216231      3.606587      7.919474
  H      -4.531774      2.851652      7.005454
  H      -3.877740      5.859220      7.101695
  H      -5.185680      4.992815      7.980773
  H      -9.329190      7.007799      3.863546
  H      -7.524537      6.841292     -0.363261
  H      -5.274324      6.253575     -1.279212
  H      -3.437445      5.561522      0.258167
  H      -3.793490      5.506146      2.690120
  H      -1.648182     -1.502348      5.306416
  H      -1.130060     -1.712176      3.619638
  H      -3.958314     -1.456859      4.765755
  H      -3.306410     -2.627880      3.583585
  H      -6.900436      3.248314      0.941330
  H      -3.918683      2.532388     -2.464969
  H      -1.720755      1.355964     -2.656905
  H      -0.769475      0.158523     -0.690777
  H      -2.019427      0.076769      1.452406
  H      -4.678643     -0.381905      6.241214
  H      -3.412288     -1.244478      7.139336
  H      -5.186393     -0.851673      8.645200
  H      -3.931147      0.338682      9.124238
  H      -8.752658      4.405884      9.529934
  H     -10.500626      4.848294      5.299349
  H     -10.076213      3.719932      3.107335
  H      -8.395414      1.888607      2.945465
  H      -7.206182      1.094351      4.950912
  N      -2.393598      2.765935      3.217063
  N      -2.055503      3.443145      2.239848
  H      -1.481286      2.900013      1.554626
98
Coordinates from ORCA-job orca E -6706.547950676863
  N      -3.075686      3.527155      5.775405
  Mo     -2.836694      1.801988      4.725591
  N      -2.977011      0.736395      6.532205
  C      -1.742684      0.690798      7.293000
  C      -0.929558      1.953712      7.068075
  N      -0.820099      2.254306      5.610949
  C      -0.635659      3.711678      5.376328
  C      -1.943808      4.457783      5.734307
  C       0.248866      1.420538      4.978711
  C      -0.315531      0.759749      3.713403
  N      -1.641158      0.280274      4.022072
  H      -2.108460      5.264438      5.001989
  H      -1.834136      4.952092      6.715281
  H      -0.395707      3.838434      4.313975
  H       0.218675      4.086879      5.966897
  H       0.358815     -0.048810      3.379128
  H      -0.357994      1.514084      2.909094
  H       0.533668      0.641062      5.698570
  H       1.136830      2.038673      4.774220
  H      -1.916035      0.603338      8.384073
  H      -1.138074     -0.208974      7.022170
  H      -1.436535      2.799680      7.543308
  H       0.080057      1.874165      7.505474
  C      -3.884304      3.629942      6.976241
  C      -4.634624      4.954605      7.112474
  O      -5.571622      5.149974      6.021583
  C      -5.192065      6.009687      5.064122
  O      -4.133384      6.611871      5.024073
  C      -6.237439      6.157599      3.987519
  N      -7.458080      6.481564      4.388822
  C      -8.364846      6.742340      3.407848
  N      -8.171273      6.710457      2.103174
  C      -6.915321      6.365968      1.681004
  C      -6.634830      6.319643      0.293210
  C      -5.368855      5.986534     -0.140163
  C      -4.344509      5.673093      0.786286
  C      -4.586494      5.706564      2.142334
  C      -5.871953      6.066297      2.615460
  C      -1.807821     -1.132742      4.232436
  C      -3.236920     -1.590865      3.863751
  O      -3.754461     -0.823664      2.746594
  C      -4.209086      0.408249      3.040598
  O      -4.583954      0.704649      4.225688
  C      -4.522782      1.229705      1.851567
  N      -5.644425      1.945738      1.935765
  C      -6.030597      2.607784      0.823546
  N      -5.441974      2.608742     -0.362056
  C      -4.255027      1.941179     -0.444478
  C      -3.528417      1.971985     -1.663045
  C      -2.301847      1.348309     -1.756603
  C      -1.749162      0.678402     -0.639536
  C      -2.439245      0.616967      0.555327
  C      -3.715262      1.225175      0.673209
  C      -3.916693     -0.265988      6.976015
  C      -4.617155      0.005321      8.310172
  O      -5.525863      1.139697      8.225713
  C      -6.701452      0.915536      7.611624
  O      -7.062454     -0.151679      7.148126
  C      -7.545734      2.164653      7.556536
  N      -7.768717      2.779342      8.710520
  C      -8.628223      3.835343      8.674022
  N      -9.266242      4.316009      7.626036
  C      -9.009591      3.714116      6.426445
  C      -9.632728      4.207241      5.255445
  C      -9.345095      3.639199      4.032723
  C      -8.429662      2.564636      3.931109
  C      -7.827964      2.042290      5.056789
  C      -8.113968      2.599793      6.326630
  H      -3.291996      3.533564      7.913345
  H      -4.608912      2.811107      6.980759
  H      -3.956740      5.816251      7.151582
  H      -5.251559      4.921695      8.020224
  H      -9.366627      7.015725      3.756078
  H      -7.442282      6.552947     -0.402560
  H      -5.154652      5.944979     -1.209083
  H      -3.358233      5.380175      0.427299
  H      -3.797271      5.448735      2.847285
  H      -1.630201     -1.476574      5.274908
  H      -1.081941     -1.670916      3.595235
  H      -3.924922     -1.490330      4.706457
  H      -3.235222     -2.629938      3.516894
  H      -6.952503      3.190359      0.916755
  H      -3.964555      2.512823     -2.502660
  H      -1.742919      1.381050     -2.694676
  H      -0.765480      0.211725     -0.724436
  H      -2.012171      0.116978      1.423548
  H      -4.703007     -0.392578      6.221628
  H      -3.419680     -1.257554      7.097380
  H      -5.187101     -0.881655      8.621293
  H      -3.914394      0.287425      9.104110
  H      -8.810730      4.325650      9.635972
  H     -10.315465      5.051647      5.355574
  H      -9.811069      4.033597      3.127772
  H      -8.183331      2.151779      2.953979
  H      -7.118361      1.220002      4.971236
  N      -2.437675      2.783012      3.197897
  N      -2.111261      3.458588      2.216044
  H      -1.520451      2.926983      1.536662
98
Coordinates from ORCA-job orca E -6706.544311908132
  N      -3.007589      3.572168      5.779419
  Mo     -2.795301      1.858264      4.709946
  N      -2.990337      0.757438      6.490554
  C      -1.771793      0.670636      7.274213
  C      -0.925797      1.917759      7.093958
  N      -0.780702      2.241536      5.646622
  C      -0.556451      3.696495      5.435791
  C      -1.851088      4.473509      5.777680
  C       0.277071      1.390883      5.018159
  C      -0.282317      0.768981      3.732313
  N      -1.627032      0.317628      4.008329
  H      -1.977350      5.294967      5.054587
  H      -1.756436      4.949492      6.768852
  H      -0.293950      3.830129      4.379316
  H       0.293551      4.045431      6.048936
  H       0.375242     -0.052237      3.394729
  H      -0.291208      1.537073      2.939683
  H       0.529410      0.591332      5.727778
  H       1.182325      1.992156      4.838894
  H      -1.970804      0.563061      8.358845
  H      -1.180809     -0.235411      6.994649
  H      -1.420425      2.767504      7.575516
  H       0.073593      1.804981      7.547742
  C      -3.838267      3.682039      6.967382
  C      -4.564262      5.018916      7.108771
  O      -5.517921      5.224981      6.031225
  C      -5.153033      6.071813      5.052090
  O      -4.103191      6.689283      4.987735
  C      -6.218484      6.196061      3.992765
  N      -7.417801      6.573046      4.404679
  C      -8.345714      6.790066      3.434005
  N      -8.195757      6.653196      2.131906
  C      -6.964307      6.246065      1.700469
  C      -6.734572      6.071758      0.313728
  C      -5.493124      5.665652     -0.130902
  C      -4.445038      5.408462      0.783032
  C      -4.636763      5.564549      2.138286
  C      -5.896556      5.997128      2.621624
  C      -1.830315     -1.094718      4.190446
  C      -3.268811     -1.508666      3.796592
  O      -3.742098     -0.715736      2.676686
  C      -4.164075      0.529696      2.973665
  O      -4.562970      0.821243      4.153920
  C      -4.415862      1.367954      1.777968
  N      -5.500650      2.141915      1.840745
  C      -5.836658      2.814136      0.717216
  N      -5.245489      2.759210     -0.464990
  C      -4.099088      2.021663     -0.530641
  C      -3.375949      1.979839     -1.749208
  C      -2.182957      1.292791     -1.821459
  C      -1.659860      0.631558     -0.683763
  C      -2.350150      0.637816      0.509864
  C      -3.596237      1.308768      0.607813
  C      -3.950580     -0.241632      6.898941
  C      -4.659037      0.003386      8.235951
  O      -5.561378      1.144253      8.176900
  C      -6.753679      0.924827      7.597745
  O      -7.146819     -0.145141      7.167653
  C      -7.595431      2.177616      7.586201
  N      -7.740870      2.794966      8.747476
  C      -8.599953      3.851912      8.761929
  N      -9.306505      4.324021      7.755242
  C      -9.134339      3.712326      6.547624
  C      -9.841421      4.188087      5.418690
  C      -9.634076      3.609172      4.184845
  C      -8.718078      2.542141      4.027798
  C      -8.036328      2.035924      5.113229
  C      -8.242034      2.602498      6.394799
  H      -3.264559      3.561497      7.913624
  H      -4.582097      2.880839      6.951685
  H      -3.874831      5.872192      7.140013
  H      -5.171780      4.991018      8.024088
  H      -9.330274      7.107544      3.787948
  H      -7.560373      6.264264     -0.371975
  H      -5.317737      5.521910     -1.198237
  H      -3.479599      5.055621      0.416721
  H      -3.829755      5.349432      2.836240
  H      -1.673789     -1.468233      5.227678
  H      -1.110910     -1.638156      3.550412
  H      -3.968462     -1.393215      4.629390
  H      -3.295320     -2.545595      3.443538
  H      -6.720145      3.458369      0.793019
  H      -3.788419      2.511929     -2.609312
  H      -1.626641      1.269304     -2.758511
  H      -0.701106      0.117472     -0.754810
  H      -1.946768      0.146290      1.394496
  H      -4.732310     -0.337645      6.135368
  H      -3.467061     -1.242690      7.001824
  H      -5.235257     -0.888391      8.519961
  H      -3.961854      0.261391      9.043803
  H      -8.708280      4.354124      9.726592
  H     -10.521022      5.028796      5.556687
  H     -10.165593      3.991201      3.311048
  H      -8.537464      2.120160      3.037809
  H      -7.329791      1.215759      4.987281
  N      -2.332187      2.849538      3.204946
  N      -1.955100      3.524595      2.241008
  H      -1.367577      2.980021      1.569865
98
Coordinates from ORCA-job orca E -6706.547928767382
  N      -2.993894      3.542005      5.798340
  Mo     -2.787865      1.810774      4.753395
  N      -2.965087      0.737289      6.553958
  C      -1.740537      0.668115      7.328316
  C      -0.901459      1.915729      7.118483
  N      -0.768612      2.216519      5.663321
  C      -0.548273      3.669251      5.431659
  C      -1.840595      4.445661      5.775449
  C       0.285938      1.360461      5.038288
  C      -0.280619      0.719040      3.765117
  N      -1.619778      0.265713      4.057826
  H      -1.977365      5.258518      5.044977
  H      -1.735121      4.933461      6.760378
  H      -0.294506      3.790253      4.371683
  H       0.307897      4.024347      6.031892
  H       0.379331     -0.102630      3.433231
  H      -0.300058      1.477764      2.963642
  H       0.545200      0.571368      5.757370
  H       1.188971      1.960628      4.844930
  H      -1.928681      0.578906      8.416688
  H      -1.147691     -0.240468      7.060835
  H      -1.397075      2.770979      7.589840
  H       0.101339      1.813537      7.567101
  C      -3.828712      3.678010      6.975786
  C      -4.566633      5.013654      7.060006
  O      -5.487334      5.182385      5.947786
  C      -5.105352      6.016088      4.965264
  O      -4.083145      6.680795      4.946399
  C      -6.187108      6.190214      3.929277
  N      -7.388803      6.497205      4.390942
  C      -8.339756      6.779169      3.461220
  N      -8.206029      6.784748      2.150865
  C      -6.972281      6.454973      1.663085
  C      -6.762037      6.445280      0.263127
  C      -5.524131      6.109857     -0.243489
  C      -4.461206      5.753357      0.619036
  C      -4.631475      5.755232      1.986460
  C      -5.885711      6.124926      2.537554
  C      -1.815935     -1.145086      4.257242
  C      -3.253345     -1.569963      3.879172
  O      -3.744493     -0.791921      2.756428
  C      -4.173643      0.451192      3.047615
  O      -4.555459      0.751693      4.229655
  C      -4.463567      1.280857      1.856227
  N      -5.567153      2.022970      1.944823
  C      -5.946592      2.690453      0.832931
  N      -5.372257      2.669314     -0.357948
  C      -4.205147      1.969067     -0.448511
  C      -3.498464      1.970784     -1.676579
  C      -2.288327      1.318081     -1.780842
  C      -1.732361      0.649096     -0.664377
  C      -2.403978      0.615973      0.540602
  C      -3.665283      1.252367      0.670028
  C      -3.920750     -0.261175      6.975399
  C      -4.640122      0.000187      8.302527
  O      -5.551288      1.132715      8.216777
  C      -6.731610      0.899588      7.617659
  O      -7.108351     -0.178053      7.191779
  C      -7.573018      2.150365      7.552509
  N      -7.752343      2.798467      8.693738
  C      -8.615994      3.850240      8.658818
  N      -9.301502      4.291999      7.623156
  C      -9.094348      3.650660      6.435480
  C      -9.777409      4.093446      5.278319
  C      -9.538657      3.484623      4.064463
  C      -8.609368      2.422461      3.956013
  C      -7.949685      1.948414      5.069468
  C      -8.191268      2.542815      6.333227
  H      -3.259882      3.596007      7.929416
  H      -4.562762      2.868810      6.978743
  H      -3.880292      5.869784      7.083282
  H      -5.198331      5.013197      7.959118
  H      -9.325630      7.030772      3.861179
  H      -7.601067      6.702559     -0.384265
  H      -5.365620      6.092008     -1.322291
  H      -3.500798      5.449619      0.200313
  H      -3.808973      5.460789      2.636939
  H      -1.649151     -1.502845      5.297932
  H      -1.098598     -1.692938      3.618552
  H      -3.945671     -1.452804      4.717682
  H      -3.274471     -2.609847      3.533254
  H      -6.850939      3.298674      0.932378
  H      -3.937602      2.511277     -2.516870
  H      -1.745074      1.327698     -2.726655
  H      -0.761335      0.160882     -0.757733
  H      -1.973450      0.118790      1.408590
  H      -4.696223     -0.374697      6.208128
  H      -3.433541     -1.258257      7.094486
  H      -5.212076     -0.890442      8.599365
  H      -3.950211      0.279134      9.108594
  H      -8.754375      4.374280      9.608465
  H     -10.465565      4.933134      5.378800
  H     -10.051804      3.839034      3.168750
  H      -8.402119      1.978931      2.981154
  H      -7.233989      1.132023      4.978658
  N      -2.348388      2.786069      3.234055
  N      -1.992182      3.462591      2.263326
  H      -1.410661      2.918977      1.586197
98
Coordinates from ORCA-job orca E -6706.547638360839
  N      -3.052829      3.534133      5.778836
  Mo     -2.838730      1.800150      4.737445
  N      -2.966227      0.746839      6.552220
  C      -1.726511      0.704813      7.303914
  C      -0.909551      1.961655      7.059388
  N      -0.810435      2.247796      5.597948
  C      -0.618433      3.701840      5.349937
  C      -1.916678      4.457682      5.719271
  C       0.246174      1.402987      4.960052
  C      -0.335133      0.737709      3.704860
  N      -1.659387      0.266956      4.030570
  H      -2.085951      5.262375      4.985401
  H      -1.791517      4.954904      6.697213
  H      -0.389990      3.818941      4.283863
  H       0.245681      4.074593      5.927364
  H       0.331772     -0.076396      3.368970
  H      -0.382826      1.486903      2.896249
  H       0.533407      0.626163      5.681818
  H       1.135713      2.014446      4.742708
  H      -1.890866      0.629021      8.397157
  H      -1.126582     -0.199596      7.038014
  H      -1.408796      2.815145      7.530524
  H       0.103214      1.880405      7.489309
  C      -3.846761      3.648323      6.986425
  C      -4.583765      4.980846      7.122145
  O      -5.530231      5.179366      6.040352
  C      -5.161299      6.046766      5.085807
  O      -4.096295      6.637013      5.029983
  C      -6.208953      6.186101      4.009992
  N      -7.426283      6.512354      4.416717
  C      -8.339769      6.768633      3.441469
  N      -8.154266      6.735725      2.136265
  C      -6.900414      6.394405      1.707648
  C      -6.629048      6.349633      0.318348
  C      -5.366986      6.014207     -0.124281
  C      -4.337454      5.696586      0.794712
  C      -4.570298      5.730693      2.152641
  C      -5.851984      6.091882      2.635518
  C      -1.830695     -1.143563      4.249622
  C      -3.266856     -1.593499      3.903214
  O      -3.790482     -0.833921      2.783804
  C      -4.235041      0.402082      3.073963
  O      -4.597483      0.707739      4.260013
  C      -4.555035      1.222680      1.887044
  N      -5.676015      1.937063      1.982839
  C      -6.070301      2.605716      0.877619
  N      -5.483334      2.624245     -0.308351
  C      -4.295106      1.961055     -0.400103
  C      -3.570111      2.014410     -1.617786
  C      -2.341898      1.395899     -1.723557
  C      -1.785940      0.710408     -0.617794
  C      -2.473570      0.629128      0.577514
  C      -3.751330      1.231028      0.706256
  C      -3.904027     -0.253848      7.002993
  C      -4.612038      0.029224      8.329917
  O      -5.526188      1.156942      8.219899
  C      -6.693561      0.913737      7.598931
  O      -7.046960     -0.166802      7.161512
  C      -7.544852      2.156077      7.509218
  N      -7.779208      2.798211      8.646362
  C      -8.647121      3.845269      8.579193
  N      -9.286639      4.291980      7.516605
  C      -9.018507      3.662139      6.333296
  C      -9.644687      4.116207      5.148236
  C      -9.345293      3.521322      3.940802
  C      -8.411263      2.460212      3.868309
  C      -7.806158      1.975201      5.008529
  C      -8.108732      2.556702      6.264922
  H      -3.245738      3.551186      7.917985
  H      -4.577545      2.834799      7.000887
  H      -3.897148      5.836127      7.146896
  H      -5.190055      4.961411      8.037590
  H      -9.339117      7.040329      3.796376
  H      -7.440650      6.583777     -0.371947
  H      -5.160465      5.972456     -1.194983
  H      -3.354245      5.400433      0.428361
  H      -3.775377      5.469179      2.849443
  H      -1.639721     -1.483978      5.290679
  H      -1.117027     -1.688341      3.604321
  H      -3.943902     -1.477889      4.753046
  H      -3.277513     -2.636254      3.567451
  H      -6.990254      3.189096      0.983118
  H      -4.008944      2.570475     -2.445789
  H      -1.784035      1.446591     -2.661345
  H      -0.800782      0.248936     -0.709828
  H      -2.041988      0.119780      1.437893
  H      -4.687012     -0.388319      6.246406
  H      -3.406569     -1.244014      7.133653
  H      -5.179233     -0.856617      8.648904
  H      -3.916814      0.327115      9.124065
  H      -8.839090      4.357941      9.527912
  H     -10.339801      4.953211      5.224639
  H      -9.813620      3.885256      3.024707
  H      -8.155042      2.027677      2.902019
  H      -7.085310      1.160619      4.944880
  N      -2.453442      2.769989      3.200414
  N      -2.139143      3.444510      2.213584
  H      -1.564451      2.907431      1.524253
98
Coordinates from ORCA-job orca E -6706.548427110678
  N      -3.050154      3.524140      5.765472
  Mo     -2.817371      1.794907      4.722370
  N      -2.981115      0.728393      6.527496
  C      -1.754658      0.675235      7.299941
  C      -0.931121      1.932541      7.084603
  N      -0.804197      2.231811      5.628830
  C      -0.605449      3.687404      5.394901
  C      -1.910395      4.445162      5.737554
  C       0.262817      1.389565      5.006101
  C      -0.294886      0.735499      3.735390
  N      -1.626532      0.263706      4.031421
  H      -2.061297      5.253196      5.003709
  H      -1.809697      4.938470      6.720271
  H      -0.352676      3.811065      4.334968
  H       0.245556      4.055536      5.994641
  H       0.377242     -0.077025      3.405943
  H      -0.326200      1.491218      2.931674
  H       0.533253      0.606602      5.727689
  H       1.157581      2.001337      4.811144
  H      -1.940120      0.588947      8.389093
  H      -1.152340     -0.228057      7.035804
  H      -1.436283      2.782805      7.554596
  H       0.073377      1.843998      7.532255
  C      -3.880838      3.642323      6.948712
  C      -4.632032      4.969168      7.055366
  O      -5.561470      5.147822      5.953075
  C      -5.190358      6.006754      4.988827
  O      -4.147220      6.637287      4.952912
  C      -6.251374      6.157147      3.926744
  N      -7.465622      6.471242      4.351432
  C      -8.389738      6.742774      3.390371
  N      -8.218141      6.732072      2.083309
  C      -6.969195      6.399669      1.635800
  C      -6.713242      6.378479      0.242799
  C      -5.456105      6.050616     -0.219541
  C      -4.417167      5.716778      0.681976
  C      -4.634065      5.728885      2.042849
  C      -5.909589      6.084562      2.546751
  C      -1.802411     -1.148769      4.235965
  C      -3.232612     -1.595189      3.859756
  O      -3.732387     -0.829188      2.733169
  C      -4.179021      0.408154      3.018766
  O      -4.568010      0.709104      4.198172
  C      -4.464600      1.233854      1.824816
  N      -5.574397      1.968888      1.899076
  C      -5.936777      2.643514      0.786066
  N      -5.334552      2.641677     -0.391940
  C      -4.159732      1.951974     -0.464367
  C      -3.421404      1.978139     -1.674051
  C      -2.205074      1.333873     -1.758952
  C      -1.674593      0.648412     -0.640333
  C      -2.376242      0.592663      0.547185
  C      -3.642960      1.221740      0.655674
  C      -3.930044     -0.270398      6.960997
  C      -4.627983     -0.009931      8.299081
  O      -5.530816      1.130353      8.231534
  C      -6.716296      0.912812      7.637125
  O      -7.097323     -0.154424      7.189568
  C      -7.558119      2.164243      7.610999
  N      -7.741965      2.775893      8.772195
  C      -8.598996      3.833983      8.765861
  N      -9.269672      4.318007      7.739601
  C      -9.054390      3.717241      6.531865
  C      -9.716132      4.211182      5.382924
  C      -9.469363      3.643824      4.150626
  C      -8.556348      2.570345      4.016691
  C      -7.916688      2.047794      5.120668
  C      -8.163416      2.602542      6.400897
  H      -3.305828      3.555067      7.897523
  H      -4.607358      2.825091      6.948020
  H      -3.954378      5.831496      7.086780
  H      -5.256888      4.950710      7.958157
  H      -9.384632      7.010589      3.759272
  H      -7.532483      6.623857     -0.434327
  H      -5.261392      6.026178     -1.292820
  H      -3.438890      5.424316      0.299072
  H      -3.831992      5.453478      2.725832
  H      -1.630205     -1.499338      5.277655
  H      -1.077219     -1.688469      3.599202
  H      -3.926819     -1.483002      4.696634
  H      -3.238573     -2.636502      3.518988
  H      -6.845639      3.247760      0.874567
  H      -3.840905      2.532908     -2.514272
  H      -1.637302      1.362705     -2.690464
  H      -0.698615      0.166393     -0.717113
  H      -1.965465      0.082118      1.417256
  H      -4.716443     -0.382941      6.204459
  H      -3.441401     -1.267644      7.072075
  H      -5.202087     -0.897501      8.600574
  H      -3.923868      0.260184      9.095874
  H      -8.747220      4.323269      9.733129
  H     -10.394892      5.055667      5.505497
  H      -9.965119      4.038222      3.261671
  H      -8.343261      2.158286      3.030042
  H      -7.211033      1.225134      5.009202
  N      -2.393409      2.772619      3.200354
  N      -2.052224      3.453357      2.226971
  H      -1.462060      2.919604      1.548687
98
Coordinates from ORCA-job orca E -6706.547792044446
  N      -2.946057      3.565265      5.831647
  Mo     -2.780696      1.832394      4.777851
  N      -2.957533      0.760196      6.579952
  C      -1.728205      0.678432      7.344941
  C      -0.873602      1.913714      7.122516
  N      -0.748610      2.206616      5.664690
  C      -0.506541      3.655570      5.426595
  C      -1.781101      4.451929      5.790272
  C       0.285800      1.331412      5.032451
  C      -0.302607      0.699133      3.763749
  N      -1.646185      0.268849      4.068429
  H      -1.916134      5.268722      5.063559
  H      -1.649255      4.934795      6.774461
  H      -0.266243      3.770266      4.362812
  H       0.364687      3.996093      6.013277
  H       0.340943     -0.133294      3.426397
  H      -0.316753      1.458258      2.962508
  H       0.536477      0.537955      5.749944
  H       1.198583      1.913991      4.831933
  H      -1.906735      0.595781      8.435527
  H      -1.148782     -0.238707      7.076443
  H      -1.354262      2.777219      7.594313
  H       0.131311      1.799509      7.563357
  C      -3.751214      3.709223      7.029297
  C      -4.485789      5.046886      7.120264
  O      -5.427734      5.203425      6.026251
  C      -5.066213      6.020819      5.025230
  O      -4.035457      6.669290      4.965921
  C      -6.178924      6.197042      4.024401
  N      -7.367889      6.496176      4.523874
  C      -8.350192      6.769195      3.624514
  N      -8.258583      6.769313      2.310176
  C      -7.038205      6.445349      1.784405
  C      -6.874009      6.422499      0.378920
  C      -5.651828      6.086971     -0.164731
  C      -4.558713      5.745825      0.666115
  C      -4.684497      5.760899      2.038006
  C      -5.921828      6.128766      2.625252
  C      -1.866182     -1.138434      4.270379
  C      -3.312680     -1.541045      3.901985
  O      -3.800023     -0.753679      2.784298
  C      -4.205277      0.495182      3.080303
  O      -4.569861      0.802694      4.265968
  C      -4.487241      1.332930      1.891734
  N      -5.572669      2.101047      1.986416
  C      -5.945034      2.773435      0.874368
  N      -5.381205      2.734541     -0.321495
  C      -4.232465      2.005648     -0.418704
  C      -3.538198      1.979222     -1.654796
  C      -2.348731      1.290690     -1.768335
  C      -1.803408      0.609405     -0.654314
  C      -2.464863      0.600978      0.557324
  C      -3.703144      1.278470      0.697404
  C      -3.917048     -0.234215      7.000556
  C      -4.647757      0.040517      8.318267
  O      -5.566836      1.163465      8.203407
  C      -6.732588      0.914066      7.581104
  O      -7.087731     -0.170656      7.154937
  C      -7.563361      2.165341      7.440699
  N      -7.776586      2.861008      8.548365
  C      -8.635582      3.911521      8.443349
  N      -9.289028      4.311052      7.370332
  C      -9.046014      3.621459      6.216408
  C      -9.693483      4.016963      5.022203
  C      -9.420966      3.358456      3.842068
  C      -8.490271      2.292782      3.805347
  C      -7.864987      1.864339      4.956562
  C      -8.142579      2.509527      6.187347
  H      -3.156349      3.637207      7.968015
  H      -4.483818      2.899122      7.060959
  H      -3.796253      5.900728      7.120793
  H      -5.099344      5.058721      8.032258
  H      -9.324171      7.016683      4.055812
  H      -7.735710      6.667189     -0.243085
  H      -5.528959      6.059286     -1.247905
  H      -3.610670      5.443848      0.219368
  H      -3.840216      5.474146      2.663496
  H      -1.700175     -1.495812      5.311135
  H      -1.161739     -1.699828      3.629054
  H      -3.995998     -1.414349      4.746317
  H      -3.351590     -2.579817      3.554215
  H      -6.838604      3.396116      0.977694
  H      -3.971540      2.525038     -2.494506
  H      -1.815305      1.278476     -2.720266
  H      -0.850006      0.088198     -0.754699
  H      -2.042969      0.089453      1.421132
  H      -4.685648     -0.353509      6.227126
  H      -3.432149     -1.231050      7.130535
  H      -5.215144     -0.849327      8.625868
  H      -3.964881      0.338107      9.123580
  H      -8.802910      4.474142      9.366596
  H     -10.382995      4.860382      5.068518
  H      -9.907115      3.675824      2.917949
  H      -8.255598      1.809122      2.856860
  H      -7.148378      1.044611      4.921433
  N      -2.341376      2.802538      3.256542
  N      -1.990074      3.478960      2.283553
  H      -1.422692      2.931264      1.598033
98
Coordinates from ORCA-job orca E -6706.548556839886
  N      -2.989708      3.547106      5.796652
  Mo     -2.799609      1.814529      4.748361
  N      -2.962685      0.751536      6.556005
  C      -1.731206      0.685018      7.319233
  C      -0.889524      1.928137      7.090624
  N      -0.770983      2.219596      5.632118
  C      -0.550063      3.671095      5.391341
  C      -1.836732      4.450119      5.752766
  C       0.274810      1.357420      5.000930
  C      -0.306182      0.712330      3.735881
  N      -1.642798      0.263596      4.044657
  H      -1.984812      5.262249      5.023020
  H      -1.712931      4.938771      6.735245
  H      -0.310747      3.787776      4.327542
  H       0.315792      4.025438      5.977877
  H       0.348886     -0.111875      3.400848
  H      -0.332392      1.467831      2.931741
  H       0.537455      0.570291      5.720923
  H       1.178842      1.952487      4.797219
  H      -1.908184      0.606483      8.410410
  H      -1.143963     -0.228192      7.054777
  H      -1.377217      2.788169      7.561358
  H       0.117465      1.825342      7.529634
  C      -3.796262      3.676868      6.995233
  C      -4.533687      5.011090      7.106934
  O      -5.477480      5.189338      6.017878
  C      -5.113489      6.033210      5.039217
  O      -4.068713      6.659442      4.983410
  C      -6.196722      6.190981      4.002241
  N      -7.402194      6.494513      4.457036
  C      -8.351868      6.759165      3.519991
  N      -8.213667      6.747939      2.209342
  C      -6.974778      6.422773      1.730594
  C      -6.756699      6.393519      0.331786
  C      -5.512127      6.064015     -0.162773
  C      -4.448560      5.737249      0.711699
  C      -4.627923      5.758393      2.077745
  C      -5.889837      6.116403      2.614230
  C      -1.840894     -1.145788      4.251447
  C      -3.281672     -1.569344      3.887297
  O      -3.779629     -0.793944      2.766118
  C      -4.202440      0.450349      3.056944
  O      -4.573229      0.756859      4.240690
  C      -4.489228      1.281519      1.866313
  N      -5.587744      2.031292      1.953739
  C      -5.957776      2.705916      0.842899
  N      -5.374049      2.691017     -0.344201
  C      -4.210208      1.984933     -0.431347
  C      -3.492866      1.991931     -1.654105
  C      -2.287331      1.330190     -1.755467
  C      -1.747351      0.645255     -0.641178
  C      -2.429725      0.606147      0.558145
  C      -3.685614      1.253408      0.684286
  C      -3.918628     -0.238867      6.992959
  C      -4.634746      0.047226      8.315895
  O      -5.546885      1.176683      8.204071
  C      -6.719643      0.929676      7.595615
  O      -7.087661     -0.157671      7.187448
  C      -7.566820      2.174299      7.499727
  N      -7.757216      2.848092      8.625079
  C      -8.624016      3.895812      8.560078
  N      -9.302042      4.313267      7.509454
  C      -9.081678      3.647382      6.337067
  C      -9.753991      4.065390      5.164374
  C      -9.503912      3.431609      3.965626
  C      -8.575156      2.366089      3.889076
  C      -7.925199      1.916298      5.018445
  C      -8.176571      2.538529      6.266853
  H      -3.201996      3.593046      7.932875
  H      -4.527835      2.864607      7.015240
  H      -3.846449      5.866541      7.121240
  H      -5.144888      5.005560      8.019754
  H      -9.340147      7.013274      3.914040
  H      -7.594890      6.631155     -0.324318
  H      -5.347160      6.032027     -1.240701
  H      -3.480994      5.442433      0.303365
  H      -3.806809      5.486613      2.739206
  H      -1.666349     -1.498232      5.292238
  H      -1.129876     -1.698081      3.609544
  H      -3.966086     -1.447444      4.730982
  H      -3.307112     -2.610072      3.545026
  H      -6.860306      3.317488      0.941370
  H      -3.920333      2.544288     -2.492145
  H      -1.735791      1.344411     -2.696966
  H      -0.780109      0.148375     -0.730850
  H      -2.010992      0.094968      1.423569
  H      -4.695878     -0.361127      6.228719
  H      -3.434401     -1.235735      7.124894
  H      -5.205260     -0.837277      8.632779
  H      -3.943085      0.344355      9.113765
  H      -8.775334      4.438306      9.498205
  H     -10.444651      4.905589      5.241494
  H     -10.008771      3.766930      3.057967
  H      -8.359546      1.901760      2.926456
  H      -7.209078      1.098023      4.951691
  N      -2.377618      2.785792      3.222528
  N      -2.038869      3.464127      2.246334
  H      -1.465724      2.922552      1.560012
98
Coordinates from ORCA-job orca E -6706.548567409107
  N      -3.039626      3.532098      5.777433
  Mo     -2.817739      1.801254      4.732832
  N      -2.976153      0.737675      6.539477
  C      -1.746509      0.682905      7.306811
  C      -0.918660      1.936471      7.083706
  N      -0.799030      2.232868      5.626507
  C      -0.596607      3.687450      5.389271
  C      -1.897445      4.449637      5.738523
  C       0.262003      1.385931      4.999422
  C      -0.304878      0.732133      3.732168
  N      -1.636016      0.265175      4.036831
  H      -2.050379      5.255506      5.002744
  H      -1.787243      4.945963      6.718514
  H      -0.349563      3.808698      4.327811
  H       0.259077      4.053543      5.983498
  H       0.362720     -0.082668      3.399181
  H      -0.338917      1.487367      2.928156
  H       0.533300      0.602842      5.720617
  H       1.158371      1.993462      4.799151
  H      -1.926524      0.599851      8.397210
  H      -1.148728     -0.223224      7.041903
  H      -1.416952      2.789656      7.555494
  H       0.088022      1.844646      7.525581
  C      -3.855783      3.652382      6.971117
  C      -4.597629      4.983572      7.089119
  O      -5.540358      5.167453      6.000099
  C      -5.172232      6.019907      5.030712
  O      -4.125513      6.643043      4.985081
  C      -6.245417      6.180629      3.983330
  N      -7.450976      6.510088      4.422273
  C      -8.386513      6.777303      3.471034
  N      -8.235235      6.743252      2.161483
  C      -6.995445      6.393638      1.699997
  C      -6.761353      6.343517      0.303916
  C      -5.513026      6.000438     -0.171026
  C      -4.460968      5.680625      0.720870
  C      -4.656817      5.719689      2.084200
  C      -5.923557      6.088994      2.600031
  C      -1.815417     -1.146269      4.245604
  C      -3.247969     -1.590319      3.875869
  O      -3.751580     -0.824731      2.750764
  C      -4.191572      0.414260      3.036925
  O      -4.572680      0.718604      4.217807
  C      -4.482422      1.239894      1.844591
  N      -5.592898      1.973583      1.922440
  C      -5.963617      2.641338      0.808273
  N      -5.369891      2.632678     -0.374325
  C      -4.194070      1.945250     -0.450776
  C      -3.463345      1.964224     -1.666170
  C      -2.244754      1.324505     -1.754039
  C      -1.704133      0.651049     -0.633050
  C      -2.398835      0.600994      0.559175
  C      -3.667981      1.224473      0.670689
  C      -3.922758     -0.262786      6.972963
  C      -4.631271      0.002621      8.304259
  O      -5.540414      1.136866      8.219593
  C      -6.713033      0.913365      7.600432
  O      -7.074456     -0.153739      7.136775
  C      -7.558388      2.161757      7.549087
  N      -7.778241      2.774132      8.704134
  C      -8.640783      3.827458      8.672204
  N      -9.284978      4.306874      7.627212
  C      -9.031668      3.706776      6.426349
  C      -9.661109      4.198649      5.258399
  C      -9.373264      3.635516      4.033261
  C      -8.451928      2.566381      3.926177
  C      -7.845201      2.044078      5.048989
  C      -8.131587      2.596628      6.321528
  H      -3.270127      3.561042      7.913039
  H      -4.586383      2.838985      6.978801
  H      -3.914430      5.841861      7.110861
  H      -5.210105      4.969227      8.000607
  H      -9.373528      7.059426      3.850909
  H      -7.589898      6.579998     -0.365206
  H      -5.335282      5.953643     -1.246298
  H      -3.489767      5.378115      0.328951
  H      -3.845471      5.456262      2.760982
  H      -1.640967     -1.494074      5.287652
  H      -1.094212     -1.689923      3.607655
  H      -3.937705     -1.475197      4.715832
  H      -3.257296     -2.632061      3.536705
  H      -6.872576      3.244384      0.899610
  H      -3.890296      2.509664     -2.508288
  H      -1.682688      1.348173     -2.689817
  H      -0.726126      0.172544     -0.712173
  H      -1.980015      0.098824      1.430159
  H      -4.704363     -0.382080      6.212326
  H      -3.430929     -1.257371      7.091288
  H      -5.202241     -0.886121      8.608266
  H      -3.934118      0.282675      9.103692
  H      -8.819553      4.316778      9.634702
  H     -10.347858      5.039272      5.361931
  H      -9.842344      4.030596      3.130271
  H      -8.205257      2.158295      2.946348
  H      -7.132075      1.225424      4.959040
  N      -2.400072      2.774405      3.206459
  N      -2.066574      3.452663      2.228572
  H      -1.489950      2.914648      1.542295
98
Coordinates from ORCA-job orca E -6706.548666825734
  N      -3.016028      3.540579      5.786859
  Mo     -2.810150      1.808935      4.740189
  N      -2.969669      0.745387      6.547264
  C      -1.738903      0.685447      7.312226
  C      -0.904207      1.933808      7.086047
  N      -0.785945      2.228088      5.628140
  C      -0.574848      3.681223      5.389358
  C      -1.868787      4.451308      5.744880
  C       0.267416      1.373987      4.998361
  C      -0.306813      0.724793      3.732364
  N      -1.640205      0.265761      4.039905
  H      -2.020203      5.260009      5.012050
  H      -1.751837      4.944144      6.725978
  H      -0.331743      3.800470      4.326713
  H       0.285896      4.041523      5.979766
  H       0.355002     -0.094124      3.397694
  H      -0.338133      1.480395      2.928523
  H       0.534445      0.588601      5.718646
  H       1.167563      1.975512      4.796498
  H      -1.917270      0.605001      8.403094
  H      -1.146196     -0.224214      7.047860
  H      -1.396459      2.790524      7.557969
  H       0.102921      1.835953      7.525767
  C      -3.827388      3.666558      6.982825
  C      -4.564143      5.000709      7.097562
  O      -5.506868      5.184398      6.008258
  C      -5.136784      6.028328      5.031869
  O      -4.087828      6.647539      4.978870
  C      -6.217028      6.194354      3.993044
  N      -7.417704      6.523511      4.443571
  C      -8.360893      6.797301      3.502372
  N      -8.221291      6.770366      2.191872
  C      -6.987288      6.419507      1.717874
  C      -6.766970      6.374543      0.319639
  C      -5.525999      6.024029     -0.169253
  C      -4.468240      5.691109      0.710427
  C      -4.650066      5.726496      2.075843
  C      -5.908590      6.104932      2.606243
  C      -1.827016     -1.144889      4.248297
  C      -3.263639     -1.580363      3.883358
  O      -3.765253     -0.811957      2.759076
  C      -4.196952      0.429991      3.045871
  O      -4.573688      0.736888      4.227601
  C      -4.484011      1.256819      1.852864
  N      -5.588770      1.998445      1.932439
  C      -5.956523      2.669049      0.818656
  N      -5.364993      2.656712     -0.364784
  C      -4.195161      1.959545     -0.443544
  C      -3.468519      1.971526     -1.660971
  C      -2.256821      1.319600     -1.752771
  C      -1.719633      0.639916     -0.633884
  C      -2.410747      0.596370      0.560375
  C      -3.672634      1.233581      0.676480
  C      -3.919819     -0.251416      6.981974
  C      -4.632799      0.022157      8.309345
  O      -5.545888      1.152485      8.213043
  C      -6.716915      0.916683      7.596428
  O      -7.077506     -0.159414      7.153291
  C      -7.566345      2.161487      7.527016
  N      -7.779239      2.795503      8.671301
  C      -8.649116      3.841937      8.626750
  N      -9.308935      4.293893      7.579041
  C      -9.063875      3.670609      6.388375
  C      -9.713198      4.129721      5.218130
  C      -9.435143      3.542198      4.002093
  C      -8.501682      2.482461      3.906015
  C      -7.875322      1.991667      5.031901
  C      -8.154242      2.567137      6.296479
  H      -3.237442      3.578180      7.922628
  H      -4.559685      2.854971      6.996627
  H      -3.876703      5.855850      7.115747
  H      -5.176207      4.992210      8.009704
  H      -9.344439      7.075443      3.892429
  H      -7.600271      6.618987     -0.340346
  H      -5.359348      5.980176     -1.246485
  H      -3.503712      5.380925      0.306895
  H      -3.833996      5.451858      2.742406
  H      -1.650683     -1.494641      5.289581
  H      -1.111013     -1.692183      3.607624
  H      -3.950287     -1.460765      4.725428
  H      -3.280659     -2.622225      3.544359
  H      -6.862763      3.276076      0.911059
  H      -3.893322      2.520661     -2.502247
  H      -1.698074      1.337775     -2.690144
  H      -0.747380      0.151192     -0.715954
  H      -1.994391      0.089432      1.429638
  H      -4.698879     -0.372859      6.219332
  H      -3.430517     -1.246648      7.106394
  H      -5.201805     -0.865825      8.619172
  H      -3.938981      0.311531      9.108262
  H      -8.820101      4.350640      9.580289
  H     -10.407960      4.964868      5.311727
  H      -9.920373      3.911280      3.096768
  H      -8.262411      2.056209      2.931592
  H      -7.154612      1.178734      4.950227
  N      -2.392016      2.781909      3.214307
  N      -2.058222      3.462667      2.238089
  H      -1.478879      2.926396      1.552865
98
Coordinates from ORCA-job orca E -6706.548661940230
  N      -3.008882      3.543343      5.783301
  Mo     -2.805981      1.812061      4.735908
  N      -2.971416      0.749085      6.542581
  C      -1.742543      0.687381      7.310657
  C      -0.904354      1.933441      7.085106
  N      -0.782281      2.225802      5.627190
  C      -0.567193      3.678101      5.387221
  C      -1.859638      4.451672      5.740913
  C       0.269739      1.368248      4.999776
  C      -0.304187      0.720487      3.732925
  N      -1.639397      0.265077      4.038374
  H      -2.008785      5.259975      5.007227
  H      -1.742235      4.945204      6.721548
  H      -0.322556      3.795993      4.324753
  H       0.293574      4.036893      5.978553
  H       0.355865     -0.100242      3.399175
  H      -0.332399      1.476201      2.929080
  H       0.533192      0.582293      5.720759
  H       1.171947      1.967111      4.799264
  H      -1.923671      0.608395      8.401119
  H      -1.151269     -0.223849      7.048476
  H      -1.395371      2.792054      7.555146
  H       0.101607      1.833540      7.527055
  C      -3.814367      3.666340      6.983861
  C      -4.550128      5.000082      7.109853
  O      -5.502664      5.188101      6.029708
  C      -5.144857      6.039443      5.055176
  O      -4.098763      6.662674      4.995050
  C      -6.232391      6.200393      4.023439
  N      -7.431109      6.525574      4.481423
  C      -8.382059      6.791467      3.545819
  N      -8.251986      6.759149      2.234527
  C      -7.019648      6.412852      1.753149
  C      -6.808907      6.362786      0.353630
  C      -5.569090      6.017964     -0.142272
  C      -4.503136      5.695820      0.731368
  C      -4.675945      5.734802      2.097711
  C      -5.933099      6.107756      2.635047
  C      -1.829632     -1.144936      4.248551
  C      -3.267193     -1.577500      3.883477
  O      -3.764985     -0.810536      2.756501
  C      -4.192425      0.433822      3.039243
  O      -4.571374      0.744785      4.219230
  C      -4.471968      1.258454      1.842694
  N      -5.574535      2.004279      1.914905
  C      -5.937097      2.669363      0.796062
  N      -5.344049      2.645946     -0.386421
  C      -4.176667      1.944055     -0.458351
  C      -3.448882      1.942931     -1.675249
  C      -2.239200      1.286394     -1.759956
  C      -1.705163      0.614934     -0.634563
  C      -2.397842      0.583526      0.559070
  C      -3.658044      1.225303      0.668219
  C      -3.924111     -0.246168      6.975346
  C      -4.639880      0.029323      8.300845
  O      -5.550719      1.161197      8.202043
  C      -6.721575      0.926427      7.584994
  O      -7.087139     -0.151259      7.150072
  C      -7.568232      2.172940      7.512596
  N      -7.785251      2.806443      8.656354
  C      -8.653574      3.854164      8.608423
  N      -9.308523      4.306987      7.557968
  C      -9.059203      3.683776      6.368029
  C      -9.703557      4.143007      5.195056
  C      -9.420645      3.555202      3.980269
  C      -8.485958      2.496226      3.887768
  C      -7.864667      2.005133      5.016243
  C      -8.149811      2.579898      6.279694
  H      -3.219630      3.572710      7.920121
  H      -4.547441      2.855379      6.998124
  H      -3.863248      5.855666      7.126378
  H      -5.154771      4.986895      8.026922
  H      -9.364475      7.065405      3.941690
  H      -7.648140      6.599560     -0.301574
  H      -5.409478      5.970413     -1.220377
  H      -3.539356      5.390291      0.322414
  H      -3.853788      5.467983      2.759969
  H      -1.654851     -1.494005      5.290412
  H      -1.114600     -1.694839      3.609024
  H      -3.954580     -1.453441      4.724436
  H      -3.286977     -2.620309      3.547450
  H      -6.841031      3.280804      0.882300
  H      -3.871218      2.485325     -2.522231
  H      -1.679565      1.294421     -2.696884
  H      -0.734386      0.122590     -0.711478
  H      -1.984135      0.082686      1.433100
  H      -4.701417     -0.366829      6.210887
  H      -3.436546     -1.242102      7.101723
  H      -5.211212     -0.857617      8.609480
  H      -3.947753      0.317732      9.101552
  H      -8.827813      4.362852      9.561458
  H     -10.398046      4.978743      5.285641
  H      -9.902165      3.924336      3.073010
  H      -8.242011      2.070111      2.914414
  H      -7.143937      1.191763      4.937647
  N      -2.382590      2.783437      3.210394
  N      -2.045981      3.463381      2.234542
  H      -1.463328      2.927025      1.552129
98
Coordinates from ORCA-job orca E -6706.548690722538
  N      -3.025426      3.538193      5.777617
  Mo     -2.813830      1.807053      4.731621
  N      -2.976694      0.743840      6.538522
  C      -1.747884      0.685947      7.306933
  C      -0.914071      1.935151      7.082627
  N      -0.792466      2.229165      5.625051
  C      -0.583074      3.682415      5.386331
  C      -1.879301      4.450710      5.737586
  C       0.263830      1.376485      4.998245
  C      -0.306268      0.726819      3.730763
  N      -1.639516      0.265057      4.035369
  H      -2.029920      5.258055      5.003222
  H      -1.765799      4.945176      6.718170
  H      -0.336884      3.801812      4.324393
  H       0.275117      4.044472      5.979412
  H       0.357761     -0.090634      3.396844
  H      -0.337713      1.482854      2.927365
  H       0.529898      0.591257      5.719072
  H       1.163694      1.979248      4.798941
  H      -1.929126      0.605852      8.397300
  H      -1.153370     -0.223117      7.044554
  H      -1.407983      2.791684      7.553335
  H       0.092075      1.838333      7.524814
  C      -3.837494      3.661228      6.973743
  C      -4.574555      4.994729      7.094172
  O      -5.520068      5.182600      6.007620
  C      -5.153182      6.031376      5.034186
  O      -4.105942      6.653283      4.981927
  C      -6.234663      6.198258      3.997087
  N      -7.431749      6.538952      4.448239
  C      -8.375337      6.811638      3.507047
  N      -8.239757      6.771429      2.196526
  C      -7.009321      6.408726      1.722270
  C      -6.792709      6.350229      0.323950
  C      -5.553950      5.991548     -0.164711
  C      -4.494994      5.663221      0.715213
  C      -4.673730      5.709575      2.080565
  C      -5.929911      6.096641      2.610442
  C      -1.823070     -1.145986      4.244625
  C      -3.257615     -1.585809      3.876734
  O      -3.757270     -0.820870      2.749138
  C      -4.190852      0.421259      3.031755
  O      -4.572732      0.730303      4.211262
  C      -4.472713      1.245442      1.835433
  N      -5.581117      1.982822      1.905257
  C      -5.943577      2.649297      0.787249
  N      -5.344437      2.635508     -0.392297
  C      -4.171325      1.942953     -0.461293
  C      -3.436577      1.954143     -1.673966
  C      -2.221326      1.307546     -1.755271
  C      -1.688260      0.634582     -0.630315
  C      -2.387169      0.591918      0.559346
  C      -3.653146      1.222816      0.664598
  C      -3.926327     -0.254434      6.971231
  C      -4.636588      0.013276      8.301404
  O      -5.547890      1.145865      8.216020
  C      -6.720160      0.917223      7.599391
  O      -7.084668     -0.154773      7.149899
  C      -7.568899      2.163180      7.545127
  N      -7.796600      2.773114      8.699571
  C      -8.668782      3.818252      8.665872
  N      -9.318147      4.288944      7.619791
  C      -9.057135      3.690675      6.419548
  C      -9.694017      4.170737      5.250859
  C      -9.397854      3.609484      4.026664
  C      -8.456966      2.557292      3.920362
  C      -7.843532      2.045375      5.043902
  C      -8.142246      2.592736      6.316244
  H      -3.248283      3.568806      7.913580
  H      -4.570039      2.849766      6.984338
  H      -3.887928      5.850417      7.114598
  H      -5.184989      4.981980      8.007346
  H      -9.355973      7.100281      3.897069
  H      -7.626441      6.592720     -0.336212
  H      -5.389829      5.937704     -1.241822
  H      -3.532170      5.347450      0.312001
  H      -3.856916      5.438706      2.747908
  H      -1.648301     -1.494843      5.286540
  H      -1.104185     -1.691895      3.605988
  H      -3.947118     -1.465551      4.716425
  H      -3.271420     -2.628587      3.540338
  H      -6.852793      3.253044      0.871378
  H      -3.857927      2.498322     -2.520251
  H      -1.656403      1.325126     -2.688926
  H      -0.713069      0.150478     -0.704207
  H      -1.973997      0.090653      1.433329
  H      -4.706411     -0.373418      6.209403
  H      -3.436490     -1.249994      7.091712
  H      -5.206437     -0.875697      8.607023
  H      -3.940648      0.296223      9.100754
  H      -8.852065      4.307326      9.627463
  H     -10.392889      5.001539      5.352601
  H      -9.873148      3.995287      3.123045
  H      -8.201574      2.153103      2.940631
  H      -7.117982      1.237305      4.954825
  N      -2.393359      2.779668      3.206225
  N      -2.060348      3.461735      2.230565
  H      -1.476304      2.928166      1.547210
98
Coordinates from ORCA-job orca E -6706.548697017328
  N      -3.023809      3.540462      5.778414
  Mo     -2.814858      1.809268      4.731651
  N      -2.976557      0.746312      6.538864
  C      -1.746780      0.687140      7.305599
  C      -0.911782      1.935414      7.080362
  N      -0.792017      2.229825      5.622740
  C      -0.581939      3.683021      5.383908
  C      -1.877120      4.452217      5.737312
  C       0.262941      1.376639      4.994437
  C      -0.309284      0.727413      3.727715
  N      -1.642405      0.266428      4.034237
  H      -2.027941      5.260170      5.003605
  H      -1.761919      4.945883      6.718100
  H      -0.337344      3.802215      4.321575
  H       0.277434      4.044481      5.975657
  H       0.353744     -0.090512      3.392985
  H      -0.341355      1.483370      2.924259
  H       0.529450      0.591117      5.714767
  H       1.162910      1.978908      4.794064
  H      -1.926479      0.607176      8.396247
  H      -1.153583     -0.222540      7.042332
  H      -1.403902      2.792313      7.552056
  H       0.094935      1.837281      7.520965
  C      -3.834368      3.663589      6.975673
  C      -4.570308      4.997541      7.097726
  O      -5.516570      5.186799      6.012153
  C      -5.150650      6.037422      5.039991
  O      -4.103252      6.659177      4.987562
  C      -6.231851      6.203691      4.002476
  N      -7.429271      6.543793      4.453176
  C      -8.372842      6.815387      3.511594
  N      -8.236682      6.775170      2.201120
  C      -7.005755      6.413464      1.727397
  C      -6.788421      6.355014      0.329177
  C      -5.549072      5.997415     -0.158881
  C      -4.490216      5.670298      0.721600
  C      -4.669729      5.716509      2.086894
  C      -5.926531      6.102212      2.616050
  C      -1.826302     -1.144364      4.244631
  C      -3.261439     -1.583839      3.878201
  O      -3.761314     -0.819471      2.750293
  C      -4.193732      0.423088      3.032282
  O      -4.574761      0.733409      4.211721
  C      -4.474541      1.246676      1.835242
  N      -5.580494      1.987621      1.905460
  C      -5.941284      2.655183      0.787515
  N      -5.341971      2.640368     -0.391941
  C      -4.171490      1.943329     -0.461478
  C      -3.436895      1.952355     -1.674249
  C      -2.224686      1.300165     -1.756427
  C      -1.694637      0.623437     -0.632280
  C      -2.393310      0.583261      0.557591
  C      -3.655916      1.220589      0.663903
  C      -3.926501     -0.251007      6.972937
  C      -4.634983      0.018095      8.303771
  O      -5.547660      1.149582      8.217880
  C      -6.721222      0.917381      7.604972
  O      -7.082717     -0.155068      7.154211
  C      -7.570824      2.162541      7.544792
  N      -7.802001      2.775874      8.696641
  C      -8.676143      3.819205      8.657495
  N      -9.324964      4.284518      7.608687
  C      -9.060751      3.682306      6.411127
  C      -9.697688      4.155546      5.239690
  C      -9.398774      3.589637      4.018271
  C      -8.454930      2.539541      3.917432
  C      -7.840939      2.034613      5.043796
  C      -8.142745      2.586541      6.313408
  H      -3.244047      3.570689      7.914731
  H      -4.567340      2.852507      6.987095
  H      -3.883052      5.852726      7.118158
  H      -5.179923      4.984555      8.011420
  H      -9.353775      7.103473      3.901215
  H      -7.622064      6.596556     -0.331452
  H      -5.384373      5.943457     -1.235958
  H      -3.526827      5.355650      0.318854
  H      -3.852996      5.446438      2.754606
  H      -1.650919     -1.492604      5.286628
  H      -1.108157     -1.691010      3.605822
  H      -3.950233     -1.462432      4.718311
  H      -3.276092     -2.626853      3.542721
  H      -6.847993      3.262733      0.872360
  H      -3.855949      2.499137     -2.520010
  H      -1.659962      1.316010     -2.690199
  H      -0.721935      0.134506     -0.706879
  H      -1.982362      0.079097      1.431034
  H      -4.707482     -0.370000      6.211926
  H      -3.437146     -1.246774      7.093635
  H      -5.203465     -0.870903      8.611724
  H      -3.937928      0.302867      9.101542
  H      -8.861485      4.311954      9.616756
  H     -10.399199      4.984636      5.337093
  H      -9.874704      3.969739      3.112565
  H      -8.197042      2.131782      2.939838
  H      -7.112435      1.228689      4.958981
  N      -2.395998      2.782147      3.206103
  N      -2.064545      3.464989      2.230412
  H      -1.482529      2.931600      1.545216
98
Coordinates from ORCA-job orca E -6706.548704244942
  N      -3.020037      3.541451      5.778216
  Mo     -2.814298      1.809631      4.731475
  N      -2.976052      0.748234      6.539626
  C      -1.745917      0.688630      7.305722
  C      -0.909243      1.935492      7.078412
  N      -0.790316      2.228540      5.620354
  C      -0.578795      3.681354      5.380100
  C      -1.872624      4.452126      5.734805
  C       0.263078      1.373709      4.991798
  C      -0.310944      0.724470      3.725915
  N      -1.644137      0.264873      4.034065
  H      -2.023776      5.259907      5.000947
  H      -1.755266      4.946101      6.715201
  H      -0.335473      3.799446      4.317361
  H       0.281846      4.042166      5.970377
  H       0.351037     -0.094199      3.390914
  H      -0.343273      1.480106      2.922163
  H       0.529008      0.588213      5.712386
  H       1.163741      1.974646      4.790547
  H      -1.924832      0.610306      8.396628
  H      -1.154004     -0.222157      7.043343
  H      -1.399555      2.793535      7.549847
  H       0.097686      1.836138      7.518237
  C      -3.827519      3.665334      6.977450
  C      -4.562130      4.999816      7.100956
  O      -5.510269      5.189527      6.017232
  C      -5.145707      6.039364      5.044059
  O      -4.097781      6.659955      4.988800
  C      -6.230197      6.207617      4.010360
  N      -7.425235      6.550251      4.465520
  C      -8.372303      6.821957      3.527475
  N      -8.241502      6.779739      2.216498
  C      -7.013002      6.415598      1.738206
  C      -6.801417      6.354922      0.339193
  C      -5.564621      5.994714     -0.153409
  C      -4.502719      5.666879      0.723200
  C      -4.676692      5.715053      2.089157
  C      -5.930688      6.103673      2.622849
  C      -1.828686     -1.145520      4.246504
  C      -3.264162     -1.584706      3.881486
  O      -3.763719     -0.821916      2.752329
  C      -4.194604      0.421403      3.032385
  O      -4.575043      0.734098      4.211262
  C      -4.473762      1.243989      1.834194
  N      -5.579906      1.984734      1.902422
  C      -5.939020      2.652132      0.783816
  N      -5.337333      2.638083     -0.394396
  C      -4.166726      1.941091     -0.461930
  C      -3.429915      1.950589     -1.673356
  C      -2.217721      1.298140     -1.753791
  C      -1.689941      0.620678     -0.629075
  C      -2.390769      0.580074      0.559566
  C      -3.653354      1.217723      0.664044
  C      -3.926800     -0.248057      6.974208
  C      -4.636526      0.023312      8.303824
  O      -5.549594      1.154376      8.214582
  C      -6.721633      0.920582      7.599240
  O      -7.082843     -0.153532      7.152309
  C      -7.574306      2.163613      7.538831
  N      -7.812176      2.773535      8.691158
  C      -8.689760      3.813948      8.650687
  N      -9.337091      4.278488      7.600573
  C      -9.066062      3.679795      6.402689
  C      -9.701239      4.152064      5.229870
  C      -9.395137      3.589977      4.008426
  C      -8.445178      2.545254      3.908788
  C      -7.832809      2.041184      5.036439
  C      -8.142569      2.588608      6.306087
  H      -3.234777      3.572717      7.915002
  H      -4.560692      2.854530      6.991223
  H      -3.873996      5.854344      7.119773
  H      -5.169929      4.987714      8.015887
  H      -9.351306      7.111506      3.920842
  H      -7.637308      6.596914     -0.318451
  H      -5.404394      5.939003     -1.231049
  H      -3.541491      5.350305      0.316926
  H      -3.857662      5.444006      2.753726
  H      -1.652980     -1.492316      5.288892
  H      -1.111187     -1.693495      3.608108
  H      -3.952560     -1.461276      4.721627
  H      -3.279592     -2.628269      3.547748
  H      -6.846582      3.258457      0.866990
  H      -3.847290      2.497890     -2.519567
  H      -1.651342      1.314338     -2.686605
  H      -0.717269      0.131354     -0.702119
  H      -1.981440      0.075314      1.433357
  H      -4.706934     -0.367784      6.212390
  H      -3.438190     -1.243967      7.096778
  H      -5.205053     -0.865202      8.613049
  H      -3.940252      0.309888      9.101590
  H      -8.880106      4.304411      9.610134
  H     -10.407232      4.977489      5.326245
  H      -9.869979      3.969165      3.101777
  H      -8.180658      2.141268      2.931423
  H      -7.099166      1.239830      4.952508
  N      -2.396454      2.781394      3.205284
  N      -2.067100      3.465099      2.229427
  H      -1.485515      2.932472      1.543309
98
Coordinates from ORCA-job orca E -6706.548712332501
  N      -3.019944      3.541761      5.773972
  Mo     -2.815887      1.809233      4.727673
  N      -2.978822      0.749656      6.536866
  C      -1.748896      0.690068      7.303264
  C      -0.910441      1.935531      7.074446
  N      -0.791469      2.227224      5.616109
  C      -0.578935      3.679634      5.374326
  C      -1.871968      4.451668      5.729100
  C       0.261187      1.371177      4.988074
  C      -0.313567      0.721935      3.722609
  N      -1.646740      0.262790      4.031720
  H      -2.022857      5.258973      4.994685
  H      -1.753573      4.946290      6.709018
  H      -0.336177      3.796433      4.311309
  H       0.282314      4.040384      5.963741
  H       0.347953     -0.097024      3.387345
  H      -0.346419      1.477413      2.918745
  H       0.526276      0.585670      5.708975
  H       1.162448      1.971166      4.786676
  H      -1.927837      0.613594      8.394310
  H      -1.157926     -0.221788      7.042423
  H      -1.398980      2.794833      7.545465
  H       0.096445      1.834835      7.514034
  C      -3.825210      3.666068      6.974777
  C      -4.558088      5.001219      7.101150
  O      -5.509226      5.193150      6.020361
  C      -5.147967      6.045345      5.048114
  O      -4.099870      6.665332      4.989894
  C      -6.235801      6.215086      4.018231
  N      -7.427313      6.564389      4.477438
  C      -8.377419      6.836337      3.542479
  N      -8.252717      6.787839      2.231143
  C      -7.027648      6.417507      1.748861
  C      -6.822140      6.351047      0.349201
  C      -5.588195      5.986279     -0.147266
  C      -4.523329      5.659104      0.726017
  C      -4.691634      5.711979      2.092501
  C      -5.942533      6.105421      2.629921
  C      -1.830546     -1.147323      4.246883
  C      -3.265423     -1.588271      3.881836
  O      -3.763537     -0.828609      2.749837
  C      -4.193612      0.415547      3.026021
  O      -4.575564      0.731817      4.203275
  C      -4.468167      1.236157      1.825184
  N      -5.575119      1.976151      1.887653
  C      -5.929381      2.642932      0.767097
  N      -5.321839      2.629358     -0.408036
  C      -4.150704      1.932741     -0.469821
  C      -3.408022      1.942657     -1.677639
  C      -2.195372      1.290399     -1.752369
  C      -1.672948      0.612859     -0.625216
  C      -2.379448      0.572043      0.560047
  C      -3.642572      1.209479      0.658627
  C      -3.930245     -0.245826      6.971757
  C      -4.638582      0.025441      8.302177
  O      -5.551940      1.156670      8.215119
  C      -6.725003      0.922758      7.601771
  O      -7.087049     -0.151133      7.155181
  C      -7.579814      2.164438      7.544640
  N      -7.830615      2.763087      8.700047
  C      -8.712564      3.799991      8.660327
  N      -9.353899      4.269441      7.608700
  C      -9.069671      3.682036      6.408183
  C      -9.698344      4.159029      5.233752
  C      -9.378210      3.608371      4.010627
  C      -8.419286      2.571888      3.910512
  C      -7.813124      2.063140      5.039417
  C      -8.138512      2.597656      6.310573
  H      -3.230752      3.572468      7.911169
  H      -4.558981      2.855868      6.989783
  H      -3.869056      5.855052      7.118920
  H      -5.163403      4.988966      8.017765
  H      -9.353540      7.131189      3.939034
  H      -7.660025      6.593043     -0.305902
  H      -5.432541      5.926171     -1.225321
  H      -3.564410      5.339391      0.316769
  H      -3.870315      5.441219      2.754440
  H      -1.655416     -1.492123      5.290016
  H      -1.112334     -1.696148      3.610019
  H      -3.954789     -1.462443      4.720830
  H      -3.280184     -2.632787      3.551060
  H      -6.838346      3.247762      0.845505
  H      -3.821292      2.490033     -2.525835
  H      -1.624553      1.306921     -2.682453
  H      -0.699943      0.123547     -0.693611
  H      -1.974040      0.067453      1.435672
  H      -4.710690     -0.364840      6.210158
  H      -3.442433     -1.242217      7.093991
  H      -5.206694     -0.863114      8.612030
  H      -3.941163      0.311645      9.099052
  H      -8.912835      4.282180      9.621940
  H     -10.410555      4.979103      5.330314
  H      -9.848386      3.991106      3.103051
  H      -8.141879      2.178142      2.932560
  H      -7.071836      1.268753      4.955249
  N      -2.398416      2.779537      3.200954
  N      -2.071895      3.464905      2.225163
  H      -1.488031      2.934694      1.539187
98
Coordinates from ORCA-job orca E -6706.548715824627
  N      -3.020018      3.542061      5.773329
  Mo     -2.817405      1.809379      4.726643
  N      -2.979831      0.750602      6.536380
  C      -1.749652      0.691032      7.302279
  C      -0.910137      1.935608      7.072134
  N      -0.792239      2.226898      5.613652
  C      -0.579519      3.679160      5.371116
  C      -1.871916      4.451707      5.727186
  C       0.259758      1.370506      4.984993
  C      -0.316182      0.721731      3.719855
  N      -1.649056      0.262406      4.030217
  H      -2.023067      5.258950      4.992748
  H      -1.752295      4.946398      6.706895
  H      -0.338125      3.795362      4.307717
  H       0.282546      4.039965      5.959310
  H       0.344950     -0.097114      3.383511
  H      -0.350071      1.477504      2.916330
  H       0.524963      0.584744      5.705582
  H       1.161145      1.970142      4.783132
  H      -1.927950      0.615653      8.393538
  H      -1.159420     -0.221488      7.042011
  H      -1.397065      2.795618      7.543536
  H       0.097049      1.833877      7.510758
  C      -3.824294      3.666696      6.974890
  C      -4.556331      5.002207      7.102136
  O      -5.508384      5.194866      6.022263
  C      -5.148326      6.048852      5.051234
  O      -4.100892      6.669964      4.993660
  C      -6.236962      6.219743      4.022379
  N      -7.427448      6.571330      4.482567
  C      -8.378349      6.842882      3.548217
  N      -8.255364      6.791549      2.236802
  C      -7.031233      6.419211      1.753674
  C      -6.827291      6.350222      0.353910
  C      -5.593818      5.984758     -0.143256
  C      -4.527974      5.659158      0.729434
  C      -4.694920      5.713863      2.096005
  C      -5.945290      6.108023      2.634007
  C      -1.831759     -1.147712      4.246695
  C      -3.266002     -1.590675      3.881307
  O      -3.763994     -0.832501      2.748150
  C      -4.194012      0.411711      3.022898
  O      -4.575968      0.729596      4.199511
  C      -4.466949      1.231771      1.821135
  N      -5.573774      1.972086      1.882096
  C      -5.926134      2.639499      0.761285
  N      -5.316437      2.626749     -0.412729
  C      -4.145711      1.929256     -0.473139
  C      -3.400971      1.939612     -1.679748
  C      -2.188993      1.285951     -1.753183
  C      -1.669326      0.606530     -0.625881
  C      -2.377751      0.565508      0.558224
  C      -3.640084      1.204581      0.655533
  C      -3.931621     -0.243924      6.972370
  C      -4.638499      0.028713      8.303303
  O      -5.552070      1.159911      8.216150
  C      -6.726400      0.924381      7.605831
  O      -7.089082     -0.150318      7.161850
  C      -7.582817      2.164915      7.548122
  N      -7.842314      2.758519      8.704150
  C      -8.727435      3.792816      8.662581
  N      -9.364816      4.263084      7.608969
  C      -9.071909      3.680474      6.408131
  C      -9.696656      4.157639      5.231658
  C      -9.367959      3.611207      4.008883
  C      -8.403598      2.579598      3.910857
  C      -7.800788      2.070963      5.041635
  C      -8.135642      2.600480      6.312327
  H      -3.229181      3.573024      7.910892
  H      -4.558379      2.856742      6.990648
  H      -3.866893      5.855710      7.119306
  H      -5.160672      4.990145      8.019412
  H      -9.353557      7.139968      3.945417
  H      -7.665779      6.591378     -0.300740
  H      -5.439227      5.922769     -1.221354
  H      -3.569369      5.339268      0.319672
  H      -3.872722      5.444309      2.757388
  H      -1.657006     -1.491507      5.290213
  H      -1.112743     -1.696510      3.610726
  H      -3.955989     -1.464448      4.719724
  H      -3.279575     -2.635550      3.551667
  H      -6.835163      3.244406      0.838571
  H      -3.812206      2.488245     -2.528122
  H      -1.616652      1.302781     -2.682333
  H      -0.696930      0.115847     -0.693240
  H      -1.974285      0.059529      1.433924
  H      -4.712626     -0.362803      6.211294
  H      -3.444455     -1.240617      7.094948
  H      -5.206225     -0.859445      8.614942
  H      -3.939977      0.315752      9.098930
  H      -8.934455      4.271573      9.624515
  H     -10.412957      4.974372      5.326392
  H      -9.835609      3.993886      3.099977
  H      -8.118615      2.189418      2.933709
  H      -7.054482      1.281005      4.959156
  N      -2.401772      2.779390      3.199689
  N      -2.078435      3.466599      2.223988
  H      -1.494933      2.938272      1.536324
98
Coordinates from ORCA-job orca E -6706.548717040736
  N      -3.017997      3.542993      5.773307
  Mo     -2.818113      1.809701      4.726926
  N      -2.980226      0.751633      6.537093
  C      -1.749769      0.691799      7.302395
  C      -0.909000      1.935337      7.070866
  N      -0.791931      2.225794      5.612143
  C      -0.578080      3.677712      5.368468
  C      -1.869289      4.451653      5.725649
  C       0.258761      1.368188      4.983002
  C      -0.318778      0.719872      3.718370
  N      -1.651650      0.261364      4.030042
  H      -2.020433      5.258811      4.991088
  H      -1.748157      4.946526      6.705098
  H      -0.338011      3.792949      4.304660
  H       0.285088      4.038056      5.955313
  H       0.341483     -0.099389      3.381312
  H      -0.353102      1.475697      2.914916
  H       0.523522      0.582246      5.703564
  H       1.160694      1.966799      4.780490
  H      -1.927484      0.617458      8.393853
  H      -1.160429     -0.221468      7.042640
  H      -1.394279      2.796231      7.542376
  H       0.098418      1.832404      7.508674
  C      -3.821541      3.669448      6.975079
  C      -4.552834      5.005497      7.100864
  O      -5.505685      5.197165      6.021471
  C      -5.146862      6.051040      5.049839
  O      -4.099101      6.671450      4.990378
  C      -6.236896      6.221925      4.022369
  N      -7.426886      6.572979      4.484263
  C      -8.379000      6.844924      3.551244
  N      -8.257696      6.794264      2.239641
  C      -7.034089      6.422598      1.754753
  C      -6.831875      6.354628      0.354689
  C      -5.598891      5.989972     -0.144277
  C      -4.531876      5.664100      0.726891
  C      -4.697119      5.717886      2.093733
  C      -5.946949      6.111203      2.633564
  C      -1.834242     -1.148523      4.248287
  C      -3.268370     -1.592140      3.883230
  O      -3.765867     -0.835257      2.748876
  C      -4.195242      0.409255      3.022257
  O      -4.576634      0.728770      4.198386
  C      -4.466268      1.229284      1.819975
  N      -5.572548      1.970449      1.880064
  C      -5.923128      2.638828      0.759268
  N      -5.311670      2.626872     -0.413837
  C      -4.141418      1.928468     -0.473247
  C      -3.394986      1.939486     -1.678777
  C      -2.183441      1.284912     -1.751204
  C      -1.665961      0.603880     -0.623871
  C      -2.376092      0.562176      0.559182
  C      -3.638000      1.202202      0.655399
  C      -3.931853     -0.242953      6.973195
  C      -4.638465      0.029597      8.304308
  O      -5.552958      1.160137      8.216831
  C      -6.727921      0.922969      7.608488
  O      -7.089824     -0.152013      7.164570
  C      -7.585744      2.162509      7.550284
  N      -7.849594      2.753487      8.706608
  C      -8.736449      3.786347      8.664230
  N      -9.371744      4.257177      7.609687
  C      -9.074545      3.677061      6.408684
  C      -9.697270      4.154587      5.231310
  C      -9.364576      3.610302      4.008633
  C      -8.398077      2.580650      3.911502
  C      -7.796780      2.071971      5.043119
  C      -8.135835      2.599186      6.313640
  H      -3.225790      3.577083      7.910853
  H      -4.555865      2.859763      6.992499
  H      -3.862868      5.858604      7.116134
  H      -5.156360      4.995244      8.018721
  H      -9.353657      7.141849      3.949858
  H      -7.671243      6.595984     -0.298757
  H      -5.445577      5.928748     -1.222619
  H      -3.573693      5.344740      0.315705
  H      -3.873904      5.448106      2.753741
  H      -1.659694     -1.491040      5.292250
  H      -1.115115     -1.698065      3.613098
  H      -3.958621     -1.464736      4.721287
  H      -3.281842     -2.637399      3.554854
  H      -6.831927      3.244168      0.835922
  H      -3.804664      2.489316     -2.527129
  H      -1.609776      1.302287     -2.679512
  H      -0.693910      0.112416     -0.690348
  H      -1.974196      0.054900      1.434822
  H      -4.712889     -0.361951      6.212088
  H      -3.444624     -1.239634      7.095619
  H      -5.205447     -0.858723      8.616756
  H      -3.939773      0.317662      9.099419
  H      -8.946826      4.263264      9.626329
  H     -10.415510      4.969706      5.325155
  H      -9.830872      3.993278      3.099147
  H      -8.109901      2.191831      2.934746
  H      -7.048346      1.283918      4.961164
  N      -2.403773      2.778721      3.199428
  N      -2.082672      3.467050      2.223652
  H      -1.499853      2.939742      1.534679
98
Coordinates from ORCA-job orca E -6706.548718718849
  N      -3.018575      3.542153      5.774530
  Mo     -2.818189      1.809275      4.727749
  N      -2.980107      0.750887      6.537632
  C      -1.749844      0.691494      7.303226
  C      -0.909286      1.935218      7.071782
  N      -0.792243      2.225884      5.613117
  C      -0.578942      3.677854      5.369471
  C      -1.870318      4.451266      5.727090
  C       0.258785      1.368784      4.983800
  C      -0.318516      0.720889      3.718832
  N      -1.651180      0.261531      4.030295
  H      -2.021700      5.258594      4.992741
  H      -1.749312      4.945867      6.706699
  H      -0.339369      3.793200      4.305562
  H       0.284244      4.038539      5.956077
  H       0.342079     -0.097872      3.381201
  H      -0.353306      1.477153      2.915819
  H       0.523703      0.582656      5.704097
  H       1.160563      1.967726      4.781561
  H      -1.927793      0.617214      8.394659
  H      -1.160191     -0.221649      7.043681
  H      -1.394606      2.796045      7.543419
  H       0.098155      1.832350      7.509569
  C      -3.822414      3.668442      6.976064
  C      -4.553461      5.004675      7.101235
  O      -5.506286      5.196136      6.021785
  C      -5.146898      6.049311      5.049694
  O      -4.098206      6.668082      4.989481
  C      -6.237711      6.222601      4.023472
  N      -7.426765      6.574710      4.486968
  C      -8.379298      6.849454      3.555244
  N      -8.259388      6.800261      2.243469
  C      -7.036844      6.427356      1.756888
  C      -6.836305      6.360653      0.356545
  C      -5.604470      5.994567     -0.144215
  C      -4.537055      5.666030      0.725420
  C      -4.700596      5.718672      2.092522
  C      -5.949223      6.113326      2.634230
  C      -1.832471     -1.148513      4.248835
  C      -3.265847     -1.593925      3.882631
  O      -3.763387     -0.837361      2.747998
  C      -4.193877      0.406639      3.021438
  O      -4.575303      0.725938      4.197489
  C      -4.464544      1.227186      1.819428
  N      -5.570366      1.969034      1.879941
  C      -5.920798      2.637720      0.759299
  N      -5.309847      2.625149     -0.414099
  C      -4.140084      1.925996     -0.473913
  C      -3.394172      1.936248     -1.679782
  C      -2.183019      1.280989     -1.752493
  C      -1.665486      0.599904     -0.625181
  C      -2.375220      0.558794      0.558110
  C      -3.636654      1.199670      0.654674
  C      -3.931653     -0.243661      6.973807
  C      -4.638485      0.029793      8.304613
  O      -5.552393      1.160696      8.215653
  C      -6.727694      0.923296      7.608220
  O      -7.090098     -0.151868      7.165139
  C      -7.584950      2.163219      7.548916
  N      -7.848837      2.754738      8.704924
  C      -8.735115      3.788128      8.661883
  N      -9.369259      4.259293      7.606879
  C      -9.072107      3.678478      6.406206
  C      -9.693880      4.156224      5.228456
  C      -9.361791      3.610725      4.006153
  C      -8.397010      2.579477      3.909780
  C      -7.796406      2.070806      5.041802
  C      -8.134587      2.599518      6.311903
  H      -3.226830      3.576235      7.912009
  H      -4.556863      2.858770      6.993414
  H      -3.863212      5.857561      7.115906
  H      -5.156875      4.995152      8.019210
  H      -9.353068      7.147520      3.955142
  H      -7.676064      6.604039     -0.295628
  H      -5.452415      5.934315     -1.222806
  H      -3.579905      5.345299      0.312837
  H      -3.877047      5.446881      2.751258
  H      -1.658532     -1.490620      5.293025
  H      -1.112244     -1.697464      3.614400
  H      -3.956910     -1.467456      4.720157
  H      -3.277830     -2.639128      3.554064
  H      -6.828942      3.244030      0.836312
  H      -3.804015      2.485982     -2.528119
  H      -1.609693      1.297812     -2.681011
  H      -0.693752      0.107890     -0.691983
  H      -1.973326      0.051313      1.433647
  H      -4.712649     -0.362870      6.212664
  H      -3.444435     -1.240295      7.096620
  H      -5.205954     -0.858024      8.617542
  H      -3.939925      0.318260      9.099702
  H      -8.945820      4.265244      9.623815
  H     -10.411120      4.972285      5.321629
  H      -9.827350      3.994058      3.096432
  H      -8.109692      2.189055      2.933415
  H      -7.049368      1.281366      4.960341
  N      -2.404866      2.778755      3.200457
  N      -2.084956      3.468071      2.224908
  H      -1.500881      2.942251      1.535897
98
Coordinates from ORCA-job orca E -6706.548718577673
  N      -3.017243      3.542862      5.775348
  Mo     -2.817913      1.810055      4.728614
  N      -2.979713      0.751485      6.538289
  C      -1.749350      0.691815      7.303744
  C      -0.908461      1.935249      7.072080
  N      -0.791609      2.225755      5.613380
  C      -0.577741      3.677593      5.369603
  C      -1.868677      4.451563      5.727577
  C       0.258873      1.368188      4.983799
  C      -0.318998      0.720902      3.718788
  N      -1.651774      0.261911      4.030359
  H      -2.019970      5.258887      4.993234
  H      -1.747250      4.946199      6.707123
  H      -0.338491      3.792845      4.305615
  H       0.285762      4.037947      5.955956
  H       0.341221     -0.097962      3.380668
  H      -0.353725      1.477492      2.916076
  H       0.523501      0.581828      5.703950
  H       1.160917      1.966704      4.781485
  H      -1.927213      0.617587      8.395193
  H      -1.160011     -0.221499      7.044088
  H      -1.393393      2.796278      7.543732
  H       0.099032      1.832071      7.509686
  C      -3.821195      3.669733      6.976725
  C      -4.552417      5.005974      7.101028
  O      -5.505188      5.196468      6.021359
  C      -5.145910      6.049131      5.048728
  O      -4.097920      6.669107      4.988985
  C      -6.236172      6.220777      4.021672
  N      -7.426548      6.569724      4.484180
  C      -8.378749      6.842906      3.551675
  N      -8.257414      6.794882      2.239978
  C      -7.033594      6.424871      1.754381
  C      -6.831667      6.359137      0.354178
  C      -5.598626      5.995819     -0.145613
  C      -4.531322      5.669284      0.724894
  C      -4.696163      5.721090      2.091861
  C      -5.946087      6.112907      2.632624
  C      -1.833206     -1.148107      4.249102
  C      -3.266624     -1.593484      3.882870
  O      -3.764392     -0.836572      2.748523
  C      -4.194683      0.407365      3.022474
  O      -4.575159      0.726485      4.198806
  C      -4.465696      1.228588      1.821064
  N      -5.571326      1.970717      1.882549
  C      -5.922370      2.639701      0.762318
  N      -5.312537      2.626745     -0.411700
  C      -4.142888      1.927508     -0.472476
  C      -3.397930      1.937610     -1.678969
  C      -2.186700      1.282597     -1.752461
  C      -1.668079      0.601950     -0.625379
  C      -2.376919      0.560840      0.558444
  C      -3.638545      1.201264      0.655786
  C      -3.930985     -0.243434      6.974295
  C      -4.638456      0.029881      8.304788
  O      -5.552688      1.160422      8.215039
  C      -6.727602      0.922455      7.607197
  O      -7.089410     -0.153014      7.164314
  C      -7.585438      2.162020      7.548158
  N      -7.847830      2.754186      8.704201
  C      -8.734137      3.787601      8.661836
  N      -9.369141      4.258625      7.607298
  C      -9.073522      3.677201      6.406539
  C      -9.696202      4.155041      5.229317
  C      -9.365874      3.608927      4.006817
  C      -8.402238      2.576691      3.909836
  C      -7.800813      2.067875      5.041379
  C      -8.136800      2.597561      6.311634
  H      -3.225752      3.577802      7.912775
  H      -4.555754      2.860162      6.994199
  H      -3.862306      5.858972      7.115106
  H      -5.155884      4.996948      8.018940
  H      -9.353676      7.138366      3.950758
  H      -7.671396      6.601026     -0.298601
  H      -5.445431      5.936422     -1.224081
  H      -3.573160      5.350621      0.313086
  H      -3.872681      5.450852      2.751316
  H      -1.659328     -1.490112      5.293335
  H      -1.113025     -1.697204      3.614745
  H      -3.957662     -1.467361      4.720468
  H      -3.278588     -2.638573      3.553934
  H      -6.830227      3.246339      0.840040
  H      -3.808546      2.487120     -2.527060
  H      -1.614056      1.299327     -2.681420
  H      -0.696173      0.110338     -0.692856
  H      -1.974204      0.053669      1.433788
  H      -4.711791     -0.363010      6.213025
  H      -3.443343     -1.239837      7.097202
  H      -5.205891     -0.858050      8.617464
  H      -3.940464      0.318677      9.100251
  H      -8.944082      4.264740      9.623943
  H     -10.412757      4.971644      5.323024
  H      -9.832004      3.992531      3.097501
  H      -8.116787      2.185421      2.933267
  H      -7.055083      1.277281      4.959386
  N      -2.405069      2.779427      3.201140
  N      -2.085392      3.468619      2.225423
  H      -1.500850      2.942990      1.536641
98
Coordinates from ORCA-job orca E -6706.548718760013
  N      -3.016560      3.542808      5.775896
  Mo     -2.817511      1.810125      4.729167
  N      -2.979579      0.751331      6.538624
  C      -1.749343      0.691536      7.304330
  C      -0.908329      1.934892      7.072848
  N      -0.791238      2.225372      5.614164
  C      -0.577080      3.677157      5.370371
  C      -1.867841      4.451329      5.728452
  C       0.259162      1.367648      4.984670
  C      -0.318670      0.720768      3.719452
  N      -1.651564      0.261852      4.030695
  H      -2.018884      5.258915      4.994349
  H      -1.746405      4.945599      6.708186
  H      -0.337887      3.792365      4.306366
  H       0.286495      4.037378      5.956704
  H       0.341479     -0.098091      3.381174
  H      -0.353222      1.477577      2.916940
  H       0.523474      0.581109      5.704743
  H       1.161373      1.966009      4.782621
  H      -1.927409      0.617232      8.395736
  H      -1.160042     -0.221790      7.044654
  H      -1.393311      2.795946      7.544382
  H       0.099096      1.831670      7.510602
  C      -3.820700      3.669830      6.977156
  C      -4.551958      5.006121      7.101045
  O      -5.504821      5.196253      6.021424
  C      -5.145513      6.048170      5.048130
  O      -4.097185      6.667517      4.987522
  C      -6.236044      6.219735      4.021391
  N      -7.426273      6.568590      4.484333
  C      -8.378753      6.842184      3.552273
  N      -8.257804      6.794701      2.240533
  C      -7.034223      6.424545      1.754430
  C      -6.832923      6.359001      0.354138
  C      -5.600233      5.995306     -0.146263
  C      -4.532674      5.668357      0.723734
  C      -4.696849      5.720089      2.090786
  C      -5.946422      6.112179      2.632191
  C      -1.832989     -1.148142      4.249611
  C      -3.266253     -1.593664      3.882712
  O      -3.763800     -0.836460      2.748429
  C      -4.194255      0.407339      3.022688
  O      -4.574487      0.726173      4.199169
  C      -4.465333      1.229025      1.821637
  N      -5.571097      1.970976      1.883402
  C      -5.922401      2.640016      0.763312
  N      -5.312887      2.627102     -0.410888
  C      -4.143052      1.928235     -0.471892
  C      -3.398348      1.938529     -1.678545
  C      -2.186803      1.284131     -1.752156
  C      -1.667564      0.603956     -0.625060
  C      -2.376180      0.562581      0.558879
  C      -3.638213      1.202214      0.656307
  C      -3.930765     -0.243847      6.974273
  C      -4.638866      0.029498      8.304433
  O      -5.552793      1.160225      8.214286
  C      -6.727269      0.922803      7.605398
  O      -7.089100     -0.152512      7.162135
  C      -7.584611      2.162747      7.546475
  N      -7.845020      2.756071      8.702377
  C      -8.730772      3.789957      8.660446
  N      -9.366822      4.260631      7.606363
  C      -9.073133      3.678108      6.405674
  C      -9.696887      4.155662      5.228918
  C      -9.368380      3.608620      4.006334
  C      -8.405584      2.575650      3.908895
  C      -7.803286      2.066986      5.040029
  C      -8.137354      2.597657      6.310368
  H      -3.225338      3.578019      7.913255
  H      -4.555284      2.860280      6.994679
  H      -3.861796      5.859088      7.114802
  H      -5.155427      4.997423      8.018955
  H      -9.353517      7.137664      3.951731
  H      -7.672913      6.601188     -0.298191
  H      -5.447539      5.935994     -1.224803
  H      -3.574814      5.349374      0.311466
  H      -3.873192      5.449484      2.749865
  H      -1.659600     -1.490008      5.293971
  H      -1.112487     -1.697298      3.615674
  H      -3.957631     -1.467988      4.720105
  H      -3.277929     -2.638642      3.553402
  H      -6.830262      3.246610      0.841182
  H      -3.809396      2.487758     -2.526616
  H      -1.614328      1.301038     -2.681214
  H      -0.695358      0.112960     -0.692665
  H      -1.973018      0.055810      1.434252
  H      -4.711311     -0.363634      6.212793
  H      -3.442883     -1.240094      7.097374
  H      -5.206661     -0.858367      8.616666
  H      -3.941271      0.318051      9.100335
  H      -8.939193      4.267865      9.622496
  H     -10.412746      4.972828      5.323055
  H      -9.835269      3.992090      3.097355
  H      -8.121633      2.183765      2.932128
  H      -7.058453      1.275602      4.957766
  N      -2.404497      2.779476      3.201676
  N      -2.084533      3.468331      2.225826
  H      -1.501996      2.941707      1.536105
