99
Coordinates from ORCA-job orca E -6706.706986000913
  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      -2.348449      2.759522      1.997753
  H      -3.123475      3.251861      1.553336
  H      -1.473357      2.686049      1.478730
99
Coordinates from ORCA-job orca E -6706.779603042458
  N      -2.401557      3.253964      5.903404
  Mo     -2.653199      1.423049      5.099994
  N      -3.154123      0.376503      6.697032
  C      -2.179401      0.067413      7.730662
  C      -1.190736      1.213451      7.915330
  N      -0.558911      1.592023      6.645810
  C      -0.094468      2.976395      6.653835
  C      -1.078341      3.820205      5.806944
  C       0.455467      0.647150      6.184161
  C       0.132327      0.384142      4.702117
  N      -1.269766      0.069709      4.681529
  H      -0.746750      3.801487      4.760927
  H      -1.048683      4.862327      6.147431
  H       0.905678      3.057892      6.221882
  H      -0.058699      3.365709      7.677471
  H       0.754489     -0.422178      4.294958
  H       0.322653      1.300164      4.123157
  H       0.365506     -0.295451      6.732009
  H       1.471211      1.034921      6.314381
  H      -2.667168     -0.114300      8.698501
  H      -1.647616     -0.861760      7.456038
  H      -1.756043      2.075893      8.282148
  H      -0.431554      0.938478      8.662457
  C      -3.319128      4.069811      6.662140
  C      -3.667499      5.423092      5.982385
  O      -4.818784      5.318044      5.138573
  C      -4.647137      5.185991      3.806061
  O      -3.562134      5.294598      3.249615
  C      -5.933479      4.935389      3.120263
  N      -6.768015      4.081346      3.714298
  C      -7.938246      3.869976      3.101815
  N      -8.378446      4.422851      1.996379
  C      -7.556193      5.314714      1.381939
  C      -7.987798      5.953696      0.204183
  C      -7.162391      6.855757     -0.424064
  C      -5.889129      7.147215      0.097062
  C      -5.441551      6.538316      1.245712
  C      -6.261647      5.607258      1.913160
  C      -1.594529     -1.320356      4.496431
  C      -1.968617     -1.617790      3.016828
  O      -2.339494     -0.426273      2.325984
  C      -3.360897      0.314924      2.857964
  O      -4.014342     -0.124939      3.838123
  C      -3.906937      1.259840      1.868949
  N      -5.174201      1.602416      2.096435
  C      -5.756401      2.468610      1.259898
  N      -5.215670      3.044027      0.215927
  C      -3.926844      2.710876     -0.069591
  C      -3.324500      3.307432     -1.196831
  C      -2.039086      2.977579     -1.553886
  C      -1.317239      2.037591     -0.799755
  C      -1.872464      1.443752      0.311051
  C      -3.195708      1.766690      0.730174
  C      -4.336797     -0.443610      6.831935
  C      -5.337720      0.040432      7.901222
  O      -5.829818      1.354108      7.638549
  C      -6.789575      1.491791      6.700832
  O      -7.190024      0.562925      6.010535
  C      -7.314125      2.872926      6.680578
  N      -6.487053      3.802617      7.156036
  C      -6.954651      5.053664      7.220686
  N      -8.138672      5.482582      6.862386
  C      -9.009898      4.557791      6.386200
  C     -10.306678      4.964961      6.012263
  C     -11.216456      4.035426      5.569872
  C     -10.866999      2.675621      5.486929
  C      -9.606071      2.249126      5.833507
  C      -8.644320      3.178204      6.282291
  H      -2.887374      4.321970      7.646267
  H      -4.263509      3.538604      6.822245
  H      -2.833388      5.792436      5.374146
  H      -3.936393      6.165830      6.738468
  H      -8.593077      3.142769      3.578198
  H      -8.971817      5.712340     -0.175077
  H      -7.492125      7.350348     -1.328812
  H      -5.253902      7.860307     -0.412847
  H      -4.456605      6.751456      1.641739
  H      -2.458832     -1.571372      5.122643
  H      -0.750921     -1.966408      4.773280
  H      -2.794010     -2.338585      2.967994
  H      -1.113546     -1.989418      2.446530
  H      -6.788863      2.697306      1.480811
  H      -3.915713      4.014921     -1.762875
  H      -1.582540      3.433082     -2.423238
  H      -0.308824      1.777801     -1.095004
  H      -1.300335      0.717663      0.869262
  H      -4.869937     -0.462108      5.876336
  H      -4.071941     -1.479195      7.105438
  H      -6.178587     -0.662892      7.929425
  H      -4.876108      0.121537      8.888543
  H      -6.268107      5.793274      7.624982
  H     -10.553556      6.014911      6.097547
  H     -12.214949      4.345047      5.288878
  H     -11.600229      1.955702      5.146206
  H      -9.334259      1.204040      5.761370
  N      -2.424066      2.304931      3.185802
  N      -2.301653      2.807270      2.041299
  H      -3.074750      3.313196      1.602748
  H      -1.417744      2.746356      1.527838
99
Coordinates from ORCA-job orca E -6706.829745973494
  N      -2.372498      3.256706      5.905745
  Mo     -2.631369      1.433998      5.107931
  N      -3.139613      0.383701      6.700202
  C      -2.161660      0.068138      7.733166
  C      -1.169547      1.209295      7.921575
  N      -0.534191      1.588528      6.649562
  C      -0.065552      2.975393      6.654998
  C      -1.047799      3.820880      5.806379
  C       0.475323      0.637218      6.185281
  C       0.146429      0.379390      4.705845
  N      -1.258319      0.070630      4.685228
  H      -0.715016      3.801056      4.758329
  H      -1.017803      4.865446      6.145244
  H       0.936603      3.053016      6.222249
  H      -0.027445      3.364027      7.680725
  H       0.762393     -0.431741      4.294421
  H       0.342052      1.296352      4.126499
  H       0.380981     -0.306850      6.733575
  H       1.494947      1.020239      6.315910
  H      -2.650931     -0.115497      8.701881
  H      -1.633443     -0.864039      7.455422
  H      -1.730217      2.075567      8.290796
  H      -0.409526      0.930394      8.668900
  C      -3.308189      4.057127      6.665757
  C      -3.672810      5.408771      6.002886
  O      -4.823942      5.301533      5.151277
  C      -4.646594      5.191199      3.819836
  O      -3.566987      5.308174      3.257198
  C      -5.942387      4.945662      3.130459
  N      -6.769919      4.083535      3.715924
  C      -7.949494      3.869249      3.101234
  N      -8.396458      4.437222      1.999372
  C      -7.573845      5.339884      1.395904
  C      -8.008945      5.993367      0.222596
  C      -7.185162      6.905734     -0.397725
  C      -5.907073      7.195612      0.126394
  C      -5.454910      6.574437      1.269427
  C      -6.275268      5.631112      1.929742
  C      -1.600928     -1.319820      4.499202
  C      -1.984282     -1.627386      3.025629
  O      -2.351513     -0.438993      2.319910
  C      -3.361464      0.313225      2.853807
  O      -4.004666     -0.099344      3.855784
  C      -3.914059      1.248488      1.854113
  N      -5.170775      1.601951      2.085575
  C      -5.756992      2.468294      1.237238
  N      -5.212023      3.029199      0.179853
  C      -3.924633      2.679732     -0.104336
  C      -3.322143      3.258833     -1.245721
  C      -2.040958      2.912874     -1.609732
  C      -1.321589      1.969407     -0.848350
  C      -1.874197      1.393966      0.275565
  C      -3.193682      1.739494      0.708820
  C      -4.334615     -0.430767      6.825576
  C      -5.333607      0.048465      7.896174
  O      -5.828927      1.370707      7.651960
  C      -6.794014      1.505263      6.715244
  O      -7.188550      0.579873      6.022368
  C      -7.333533      2.893029      6.692739
  N      -6.520749      3.833519      7.165372
  C      -6.999965      5.089256      7.218984
  N      -8.191262      5.505907      6.850118
  C      -9.048915      4.562552      6.375632
  C     -10.350670      4.952922      5.988011
  C     -11.248343      4.008683      5.543776
  C     -10.881726      2.647979      5.471587
  C      -9.616501      2.236545      5.830875
  C      -8.666173      3.182370      6.283433
  H      -2.884060      4.304779      7.656708
  H      -4.247050      3.509932      6.819031
  H      -2.839917      5.799050      5.404433
  H      -3.956994      6.136733      6.771259
  H      -8.601527      3.132874      3.575101
  H      -8.996380      5.753194     -0.160014
  H      -7.518924      7.411189     -1.299884
  H      -5.272510      7.918632     -0.378818
  H      -4.466997      6.786988      1.666426
  H      -2.464686     -1.561518      5.129922
  H      -0.759827     -1.971178      4.778185
  H      -2.815994     -2.344169      2.990139
  H      -1.133996     -2.013041      2.454270
  H      -6.792316      2.711742      1.463129
  H      -3.913575      3.966767     -1.818657
  H      -1.585547      3.355092     -2.491441
  H      -0.315349      1.692172     -1.149772
  H      -1.305434      0.664225      0.838693
  H      -4.865289     -0.440537      5.867945
  H      -4.075149     -1.471331      7.091848
  H      -6.176819     -0.654878      7.916523
  H      -4.870855      0.116834      8.886218
  H      -6.316632      5.839957      7.619958
  H     -10.610988      6.004491      6.064151
  H     -12.251580      4.307032      5.251894
  H     -11.606845      1.915353      5.128033
  H      -9.332365      1.191397      5.766118
  N      -2.361232      2.349927      3.239019
  N      -2.230462      2.856819      2.098138
  H      -2.992461      3.386812      1.666390
  H      -1.343317      2.795276      1.589071
99
Coordinates from ORCA-job orca E -6706.864128142491
  N      -2.362157      3.256584      5.900660
  Mo     -2.613620      1.439569      5.110960
  N      -3.126737      0.383962      6.699869
  C      -2.146643      0.070558      7.733881
  C      -1.159804      1.214147      7.926169
  N      -0.520102      1.596026      6.653467
  C      -0.057571      2.988494      6.655237
  C      -1.041363      3.827855      5.801301
  C       0.491408      0.643820      6.190216
  C       0.162399      0.385377      4.712479
  N      -1.241901      0.072905      4.689578
  H      -0.704323      3.807966      4.753320
  H      -1.020194      4.875325      6.136726
  H       0.946957      3.067889      6.225105
  H      -0.022813      3.377375      7.682199
  H       0.777899     -0.427332      4.300122
  H       0.358728      1.302385      4.130827
  H       0.397114     -0.300465      6.740510
  H       1.511345      1.028976      6.323734
  H      -2.638139     -0.116605      8.702254
  H      -1.615574     -0.861264      7.456159
  H      -1.721792      2.081203      8.294351
  H      -0.399179      0.938342      8.675658
  C      -3.322124      4.034994      6.657693
  C      -3.704569      5.382058      6.006790
  O      -4.851616      5.270404      5.142483
  C      -4.665263      5.181506      3.813517
  O      -3.588558      5.303646      3.248684
  C      -5.969473      4.950322      3.116115
  N      -6.797411      4.083474      3.687147
  C      -7.981946      3.875741      3.065497
  N      -8.427453      4.463702      1.970184
  C      -7.598179      5.373401      1.383208
  C      -8.028828      6.045885      0.215948
  C      -7.200242      6.964200     -0.391065
  C      -5.919119      7.243155      0.140118
  C      -5.470401      6.604851      1.276288
  C      -6.297769      5.654062      1.923480
  C      -1.592874     -1.319146      4.506407
  C      -1.981335     -1.641293      3.039597
  O      -2.351970     -0.459819      2.315993
  C      -3.354339      0.299008      2.846125
  O      -3.985490     -0.084509      3.870711
  C      -3.915403      1.223650      1.835887
  N      -5.166033      1.582760      2.073970
  C      -5.756793      2.445382      1.217761
  N      -5.211405      2.996333      0.151342
  C      -3.925111      2.638516     -0.132201
  C      -3.326101      3.207854     -1.283818
  C      -2.048686      2.853469     -1.654023
  C      -1.329356      1.908374     -0.888591
  C      -1.877722      1.345145      0.244529
  C      -3.191166      1.704331      0.688006
  C      -4.327573     -0.430932      6.814643
  C      -5.325608      0.035031      7.887915
  O      -5.827022      1.365149      7.670304
  C      -6.792550      1.508511      6.732954
  O      -7.178177      0.599516      6.017662
  C      -7.340393      2.902802      6.732096
  N      -6.540633      3.837422      7.230073
  C      -7.024833      5.096255      7.294171
  N      -8.214331      5.515177      6.912491
  C      -9.059089      4.571064      6.410673
  C     -10.356971      4.962619      6.004204
  C     -11.243167      4.021637      5.527497
  C     -10.868484      2.661191      5.439741
  C      -9.607408      2.248167      5.816290
  C      -8.668571      3.192166      6.304132
  H      -2.910693      4.280805      7.656202
  H      -4.251947      3.467283      6.802655
  H      -2.871975      5.795094      5.422189
  H      -4.009235      6.094677      6.783579
  H      -8.636680      3.133914      3.532027
  H      -9.018455      5.813786     -0.173107
  H      -7.531531      7.483859     -1.289100
  H      -5.280259      7.972446     -0.355907
  H      -4.480537      6.809573      1.677544
  H      -2.454348     -1.555789      5.141932
  H      -0.750727     -1.969228      4.790489
  H      -2.814086     -2.358882      3.016665
  H      -1.133196     -2.036197      2.469375
  H      -6.793374      2.697446      1.448271
  H      -3.920168      3.914772     -1.860119
  H      -1.595906      3.287133     -2.544386
  H      -0.325083      1.620040     -1.195334
  H      -1.309981      0.613852      0.810171
  H      -4.853417     -0.432956      5.854267
  H      -4.069352     -1.475277      7.071877
  H      -6.167680     -0.671332      7.897455
  H      -4.863231      0.088328      8.880556
  H      -6.346299      5.843844      7.714462
  H     -10.623457      6.014371      6.091562
  H     -12.244016      4.322101      5.220535
  H     -11.585464      1.930082      5.069129
  H      -9.317779      1.203842      5.738400
  N      -2.305320      2.381297      3.294648
  N      -2.166833      2.896210      2.160619
  H      -2.920013      3.447500      1.734569
  H      -1.276065      2.838383      1.654741
99
Coordinates from ORCA-job orca E -6706.887632699567
  N      -2.325354      3.262987      5.896919
  Mo     -2.591701      1.453929      5.111782
  N      -3.118061      0.399756      6.701395
  C      -2.136617      0.082200      7.733718
  C      -1.141743      1.216909      7.924009
  N      -0.496882      1.591626      6.649185
  C      -0.025698      2.983837      6.646394
  C      -1.004511      3.828917      5.792565
  C       0.503994      0.627130      6.183116
  C       0.167983      0.369341      4.707336
  N      -1.238401      0.067728      4.687343
  H      -0.667734      3.808066      4.744097
  H      -0.980217      4.877803      6.126639
  H       0.980644      3.053807      6.216879
  H       0.012722      3.371069      7.674491
  H       0.772910     -0.451609      4.293347
  H       0.372915      1.282841      4.121482
  H       0.401046     -0.315310      6.736233
  H       1.528106      1.003551      6.316580
  H      -2.628839     -0.100980      8.703462
  H      -1.613624     -0.855228      7.457034
  H      -1.693256      2.092036      8.290446
  H      -0.381951      0.937282      8.673882
  C      -3.293650      4.027948      6.659672
  C      -3.684908      5.375415      6.026232
  O      -4.836505      5.264413      5.162571
  C      -4.654114      5.190668      3.835347
  O      -3.582863      5.306542      3.260103
  C      -5.971212      4.973855      3.143957
  N      -6.796557      4.108917      3.716323
  C      -7.988033      3.904221      3.099375
  N      -8.438662      4.500283      2.009789
  C      -7.607833      5.409883      1.422906
  C      -8.042943      6.088568      0.259232
  C      -7.214558      7.005389     -0.350579
  C      -5.927552      7.277922      0.173834
  C      -5.473931      6.634459      1.305469
  C      -6.302641      5.684528      1.955610
  C      -1.612843     -1.320886      4.511070
  C      -2.017127     -1.652998      3.053077
  O      -2.382943     -0.475293      2.312900
  C      -3.365534      0.302896      2.839967
  O      -3.982387     -0.039068      3.890724
  C      -3.926177      1.227327      1.822915
  N      -5.166890      1.611566      2.074586
  C      -5.750586      2.479078      1.215528
  N      -5.202639      3.014624      0.140920
  C      -3.924924      2.631810     -0.148922
  C      -3.325947      3.186539     -1.309437
  C      -2.059315      2.806588     -1.690382
  C      -1.351950      1.848561     -0.926840
  C      -1.900140      1.301786      0.214653
  C      -3.198930      1.691019      0.670831
  C      -4.327539     -0.407089      6.820228
  C      -5.315099      0.062566      7.897087
  O      -5.821789      1.395176      7.681024
  C      -6.798768      1.512191      6.750482
  O      -7.183173      0.589007      6.055321
  C      -7.362107      2.907571      6.721773
  N      -6.572594      3.864218      7.188440
  C      -7.069263      5.123051      7.210340
  N      -8.263880      5.517772      6.816330
  C      -9.098281      4.546550      6.346419
  C     -10.399972      4.912652      5.925077
  C     -11.276249      3.948872      5.475495
  C     -10.887229      2.589024      5.430074
  C      -9.622651      2.199856      5.821580
  C      -8.693846      3.168671      6.283729
  H      -2.884385      4.264361      7.662526
  H      -4.218023      3.450160      6.804340
  H      -2.855249      5.803735      5.447965
  H      -3.996391      6.075355      6.812686
  H      -8.641823      3.163435      3.569742
  H      -9.036985      5.861102     -0.125158
  H      -7.549852      7.529455     -1.246221
  H      -5.288778      8.007277     -0.325160
  H      -4.479876      6.835415      1.700608
  H      -2.470460     -1.543291      5.156679
  H      -0.775609     -1.978286      4.796577
  H      -2.858093     -2.361987      3.045616
  H      -1.178795     -2.065694      2.479992
  H      -6.781939      2.754020      1.453670
  H      -3.913663      3.902321     -1.883924
  H      -1.605991      3.227616     -2.588174
  H      -0.356063      1.536524     -1.242649
  H      -1.341830      0.560313      0.778093
  H      -4.856075     -0.411151      5.861604
  H      -4.071563     -1.452796      7.078038
  H      -6.158379     -0.643055      7.914719
  H      -4.845908      0.115370      8.887392
  H      -6.394737      5.891070      7.602058
  H     -10.676889      5.965391      5.978696
  H     -12.280244      4.230721      5.156561
  H     -11.596897      1.839169      5.079387
  H      -9.322797      1.155748      5.774929
  N      -2.243149      2.407247      3.350764
  N      -2.092264      2.933558      2.224264
  H      -2.829409      3.517617      1.808405
  H      -1.201596      2.866249      1.716182
99
Coordinates from ORCA-job orca E -6706.903886472870
  N      -2.344058      3.262873      5.884897
  Mo     -2.581895      1.455399      5.097129
  N      -3.119745      0.392154      6.683377
  C      -2.141329      0.086144      7.722144
  C      -1.161163      1.230917      7.920642
  N      -0.505340      1.612659      6.651733
  C      -0.051798      3.012948      6.651961
  C      -1.032853      3.848203      5.790929
  C       0.506992      0.655308      6.192023
  C       0.184724      0.391122      4.714354
  N      -1.217213      0.073908      4.683426
  H      -0.684971      3.834982      4.746116
  H      -1.028113      4.897684      6.125984
  H       0.959215      3.092474      6.234226
  H      -0.027498      3.396890      7.681981
  H       0.799184     -0.426412      4.306239
  H       0.387152      1.304112      4.125935
  H       0.406846     -0.286966      6.746361
  H       1.526231      1.041973      6.336685
  H      -2.638965     -0.102567      8.688664
  H      -1.607283     -0.847053      7.450782
  H      -1.721922      2.102950      8.280768
  H      -0.404649      0.961000      8.677851
  C      -3.340544      3.996684      6.642795
  C      -3.750913      5.339463      6.017801
  O      -4.891715      5.214790      5.136927
  C      -4.695712      5.159042      3.812901
  O      -3.621235      5.280717      3.244888
  C      -6.012427      4.953384      3.106433
  N      -6.841245      4.081764      3.660931
  C      -8.027034      3.878923      3.028925
  N      -8.467886      4.487742      1.942862
  C      -7.631689      5.405219      1.374874
  C      -8.056335      6.095001      0.213209
  C      -7.223359      7.018141     -0.380203
  C      -5.941177      7.286903      0.159094
  C      -5.497487      6.633249      1.288724
  C      -6.332063      5.676558      1.922135
  C      -1.586302     -1.317167      4.512462
  C      -1.986696     -1.664753      3.059190
  O      -2.363694     -0.497867      2.300082
  C      -3.345001      0.282201      2.811817
  O      -3.949329     -0.025851      3.882355
  C      -3.910834      1.196864      1.784472
  N      -5.152403      1.581291      2.038657
  C      -5.738083      2.439416      1.171788
  N      -5.189953      2.971948      0.095160
  C      -3.910556      2.592487     -0.189769
  C      -3.311257      3.145280     -1.351494
  C      -2.043662      2.766064     -1.728999
  C      -1.336883      1.810546     -0.960710
  C      -1.885538      1.267760      0.182342
  C      -3.181801      1.659334      0.635062
  C      -4.325589     -0.423209      6.791050
  C      -5.311242      0.020459      7.877471
  O      -5.826668      1.359395      7.703454
  C      -6.803161      1.510525      6.777169
  O      -7.181665      0.623637      6.033883
  C      -7.362752      2.911206      6.811096
  N      -6.578292      3.836636      7.340979
  C      -7.066249      5.098555      7.410044
  N      -8.248127      5.521026      7.008074
  C      -9.077487      4.579023      6.472399
  C     -10.363961      4.978244      6.033931
  C     -11.234866      4.047124      5.511410
  C     -10.854618      2.687708      5.407456
  C      -9.604791      2.267297      5.813944
  C      -8.682220      3.202553      6.352549
  H      -2.950673      4.229851      7.655138
  H      -4.252213      3.394957      6.774923
  H      -2.922402      5.794012      5.458163
  H      -4.090052      6.023015      6.807355
  H      -8.683964      3.132275      3.487784
  H      -9.046814      5.869854     -0.183175
  H      -7.550758      7.550448     -1.274557
  H      -5.298742      8.022169     -0.327551
  H      -4.507063      6.832641      1.694585
  H      -2.440944     -1.541986      5.161181
  H      -0.744759     -1.966542      4.806140
  H      -2.822047     -2.380595      3.057201
  H      -1.145564     -2.078065      2.490433
  H      -6.771264      2.712997      1.406524
  H      -3.900518      3.857669     -1.929668
  H      -1.588959      3.184066     -2.628190
  H      -0.340447      1.496557     -1.274944
  H      -1.327000      0.528341      0.748709
  H      -4.849579     -0.420162      5.830126
  H      -4.064395     -1.471431      7.035556
  H      -6.150050     -0.690689      7.883591
  H      -4.839975      0.052282      8.868043
  H      -6.393808      5.841631      7.850898
  H     -10.633233      6.030321      6.132065
  H     -12.227238      4.354659      5.178311
  H     -11.559816      1.963131      4.997880
  H      -9.312170      1.224206      5.720526
  N      -2.199439      2.418421      3.394084
  N      -2.032277      2.963373      2.276986
  H      -2.757699      3.568186      1.867805
  H      -1.137895      2.899693      1.773616
99
Coordinates from ORCA-job orca E -6706.915639811723
  N      -2.291359      3.277376      5.889195
  Mo     -2.556056      1.474695      5.097119
  N      -3.108666      0.420934      6.692710
  C      -2.126443      0.113101      7.727298
  C      -1.129126      1.243306      7.911587
  N      -0.471371      1.608207      6.637263
  C      -0.000717      3.003949      6.631773
  C      -0.978630      3.852860      5.781931
  C       0.521471      0.632317      6.170496
  C       0.184639      0.363305      4.696194
  N      -1.220406      0.063532      4.676505
  H      -0.639313      3.841800      4.734582
  H      -0.962481      4.901371      6.120471
  H       1.010046      3.068262      6.210235
  H       0.035026      3.384489      7.662850
  H       0.783769     -0.466285      4.288650
  H       0.397159      1.268564      4.098948
  H       0.410081     -0.305306      6.730645
  H       1.546929      1.005070      6.309370
  H      -2.619175     -0.063551      8.698910
  H      -1.606424     -0.829473      7.460214
  H      -1.671513      2.128379      8.267948
  H      -0.372280      0.968197      8.666885
  C      -3.276736      4.003737      6.668120
  C      -3.689637      5.352877      6.064952
  O      -4.844179      5.236156      5.199053
  C      -4.663666      5.188175      3.874320
  O      -3.593538      5.289611      3.293689
  C      -5.992598      5.006051      3.180660
  N      -6.827670      4.146552      3.743499
  C      -8.019291      3.955133      3.118260
  N      -8.459397      4.567423      2.034524
  C      -7.615567      5.473223      1.458808
  C      -8.038827      6.163835      0.296985
  C      -7.197942      7.073511     -0.305790
  C      -5.908896      7.327704      0.224205
  C      -5.466420      6.672904      1.353582
  C      -6.309597      5.730330      1.996362
  C      -1.619676     -1.320704      4.521965
  C      -2.050110     -1.676384      3.080581
  O      -2.424239     -0.513717      2.306582
  C      -3.375675      0.294645      2.815339
  O      -3.953894      0.040780      3.915823
  C      -3.939847      1.213299      1.786950
  N      -5.165855      1.633952      2.066835
  C      -5.745654      2.498207      1.203119
  N      -5.204716      3.011162      0.112971
  C      -3.940964      2.598801     -0.192841
  C      -3.347274      3.130708     -1.367070
  C      -2.096829      2.715331     -1.763693
  C      -1.403047      1.744402     -1.002702
  C      -1.945633      1.222476      0.152984
  C      -3.220713      1.652836      0.623914
  C      -4.320725     -0.383654      6.817867
  C      -5.295497      0.078093      7.903465
  O      -5.820870      1.410272      7.698473
  C      -6.812949      1.504829      6.781704
  O      -7.194148      0.574439      6.095551
  C      -7.394204      2.899545      6.743612
  N      -6.617969      3.871488      7.197401
  C      -7.125040      5.128752      7.178944
  N      -8.316974      5.503600      6.761212
  C      -9.137494      4.513281      6.304514
  C     -10.433397      4.862636      5.851167
  C     -11.294851      3.885011      5.403621
  C     -10.894873      2.527323      5.392363
  C      -9.635618      2.154351      5.815497
  C      -8.722589      3.138122      6.278834
  H      -2.875201      4.221672      7.679954
  H      -4.185872      3.401314      6.810946
  H      -2.867474      5.813527      5.501218
  H      -4.018878      6.028398      6.865185
  H      -8.681485      3.218934      3.584438
  H      -9.034700      5.949479     -0.092292
  H      -7.524062      7.606261     -1.200537
  H      -5.260511      8.052937     -0.269920
  H      -4.470870      6.862257      1.751960
  H      -2.465104     -1.526282      5.189163
  H      -0.785264     -1.982481      4.810052
  H      -2.896797     -2.378512      3.099000
  H      -1.226537     -2.110972      2.502173
  H      -6.767327      2.800339      1.454382
  H      -3.927581      3.855680     -1.938920
  H      -1.645992      3.116184     -2.672798
  H      -0.421476      1.401066     -1.333352
  H      -1.396608      0.471462      0.713465
  H      -4.850963     -0.396276      5.860504
  H      -4.060192     -1.429506      7.075952
  H      -6.133241     -0.634007      7.933762
  H      -4.816957      0.131061      8.889729
  H      -6.458752      5.912020      7.554651
  H     -10.716813      5.915435      5.876976
  H     -12.294338      4.154306      5.058434
  H     -11.592526      1.765598      5.040864
  H      -9.328732      1.111295      5.792190
  N      -2.147764      2.425801      3.436953
  N      -1.965095      2.984295      2.325088
  H      -2.668514      3.627192      1.935105
  H      -1.078961      2.896624      1.811054
99
Coordinates from ORCA-job orca E -6706.924570564480
  N      -2.322390      3.281078      5.879980
  Mo     -2.549425      1.478223      5.067783
  N      -3.124720      0.415557      6.659465
  C      -2.150125      0.118893      7.704131
  C      -1.166320      1.258020      7.899539
  N      -0.491899      1.631599      6.635772
  C      -0.038983      3.034485      6.642306
  C      -1.019339      3.878623      5.790245
  C       0.514522      0.664594      6.177660
  C       0.199453      0.387211      4.699614
  N      -1.200477      0.070688      4.662417
  H      -0.667547      3.883798      4.747265
  H      -1.023609      4.924231      6.138222
  H       0.977646      3.111098      6.237002
  H      -0.020821      3.406564      7.677017
  H       0.812685     -0.437854      4.303330
  H       0.411357      1.291646      4.100673
  H       0.403808     -0.273237      6.737646
  H       1.533903      1.047849      6.332540
  H      -2.650126     -0.062210      8.671482
  H      -1.618643     -0.819750      7.444809
  H      -1.719196      2.139573      8.247859
  H      -0.416773      0.991461      8.665287
  C      -3.330721      3.974902      6.658000
  C      -3.762041      5.321029      6.062785
  O      -4.901930      5.185728      5.178427
  C      -4.704982      5.150033      3.856097
  O      -3.627868      5.257401      3.288563
  C      -6.025805      4.969002      3.144991
  N      -6.862917      4.102113      3.693575
  C      -8.044103      3.903370      3.051309
  N      -8.472907      4.515937      1.963823
  C      -7.627653      5.429498      1.402443
  C      -8.039851      6.119183      0.236211
  C      -7.197353      7.035854     -0.353477
  C      -5.917987      7.298597      0.194946
  C      -5.486293      6.644929      1.329162
  C      -6.331087      5.694993      1.958445
  C      -1.592261     -1.315221      4.513249
  C      -2.015916     -1.682339      3.073533
  O      -2.399980     -0.530118      2.282341
  C      -3.350347      0.282496      2.770064
  O      -3.916222      0.066683      3.886765
  C      -3.912405      1.194653      1.732756
  N      -5.138943      1.619177      2.011538
  C      -5.716373      2.475114      1.139319
  N      -5.172997      2.985469      0.048957
  C      -3.908261      2.574662     -0.250798
  C      -3.307737      3.103012     -1.422763
  C      -2.055429      2.684410     -1.810539
  C      -1.366603      1.715272     -1.043026
  C      -1.915483      1.197459      0.111681
  C      -3.191402      1.631711      0.571194
  C      -4.331446     -0.396944      6.775062
  C      -5.298788      0.035549      7.878299
  O      -5.826507      1.374763      7.724824
  C      -6.822797      1.513060      6.819264
  O      -7.203187      0.621434      6.082711
  C      -7.399860      2.910139      6.856344
  N      -6.626955      3.848060      7.381603
  C      -7.124913      5.108469      7.423552
  N      -8.304985      5.515588      7.004194
  C      -9.122546      4.559889      6.474252
  C     -10.403829      4.947435      6.010924
  C     -11.260530      4.006411      5.483122
  C     -10.869285      2.648974      5.399093
  C      -9.623919      2.240150      5.830347
  C      -8.716526      3.185326      6.376927
  H      -2.949192      4.186737      7.679693
  H      -4.227799      3.351266      6.785649
  H      -2.941837      5.806568      5.517772
  H      -4.120117      5.981234      6.863522
  H      -8.706674      3.160605      3.506852
  H      -9.028617      5.898153     -0.167135
  H      -7.514773      7.567732     -1.251831
  H      -5.268712      8.029995     -0.288772
  H      -4.498327      6.842872      1.741593
  H      -2.435943     -1.524971      5.181780
  H      -0.755331     -1.971513      4.807945
  H      -2.857016     -2.391031      3.091485
  H      -1.188239     -2.114878      2.499729
  H      -6.740232      2.774590      1.381668
  H      -3.884092      3.826684     -2.000195
  H      -1.598648      3.081632     -2.718262
  H      -0.384112      1.369528     -1.368450
  H      -1.369009      0.448766      0.677686
  H      -4.863433     -0.398931      5.818547
  H      -4.065103     -1.446198      7.014833
  H      -6.135240     -0.678335      7.898982
  H      -4.812043      0.060001      8.861629
  H      -6.460210      5.864244      7.854264
  H     -10.679365      5.999448      6.092414
  H     -12.248546      4.304825      5.129098
  H     -11.562416      1.916070      4.983299
  H      -9.324033      1.198103      5.749472
  N      -2.109936      2.429656      3.454193
  N      -1.900126      3.010362      2.353937
  H      -2.586844      3.675594      1.973083
  H      -1.011799      2.917042      1.846757
99
Coordinates from ORCA-job orca E -6706.931816086775
  N      -2.311430      3.292780      5.886370
  Mo     -2.527982      1.486962      5.062682
  N      -3.109853      0.431788      6.666383
  C      -2.130308      0.149758      7.710673
  C      -1.144601      1.289086      7.888876
  N      -0.470875      1.652355      6.620588
  C      -0.020652      3.056839      6.622183
  C      -1.014123      3.900015      5.784891
  C       0.531665      0.680896      6.161703
  C       0.210773      0.385221      4.687631
  N      -1.187699      0.066305      4.658707
  H      -0.672663      3.914321      4.738684
  H      -1.021809      4.943610      6.138796
  H       0.994081      3.134050      6.212157
  H       0.004583      3.426592      7.657708
  H       0.824341     -0.444160      4.300403
  H       0.420537      1.281767      4.076106
  H       0.422275     -0.251260      6.731488
  H       1.551479      1.065322      6.311009
  H      -2.622878     -0.022309      8.683524
  H      -1.598888     -0.791645      7.460161
  H      -1.693388      2.175779      8.229829
  H      -0.392826      1.030450      8.655299
  C      -3.313497      3.968594      6.685849
  C      -3.754445      5.318301      6.105691
  O      -4.896890      5.187188      5.223146
  C      -4.701542      5.159963      3.899998
  O      -3.621859      5.250546      3.333559
  C      -6.024909      5.015887      3.186065
  N      -6.882120      4.162689      3.726039
  C      -8.063479      3.990770      3.076864
  N      -8.474957      4.618122      1.991157
  C      -7.609393      5.517861      1.438707
  C      -8.002039      6.220815      0.273827
  C      -7.138210      7.122656     -0.307897
  C      -5.856760      7.357139      0.247909
  C      -5.443762      6.689813      1.381199
  C      -6.310310      5.754431      2.002212
  C      -1.588588     -1.317863      4.533134
  C      -2.037767     -1.700603      3.105141
  O      -2.435133     -0.560527      2.296998
  C      -3.365988      0.270897      2.775897
  O      -3.899464      0.106327      3.918657
  C      -3.936451      1.176893      1.737680
  N      -5.151899      1.619380      2.040736
  C      -5.740147      2.467910      1.169707
  N      -5.215107      2.963059      0.062886
  C      -3.960597      2.538749     -0.258802
  C      -3.375157      3.049907     -1.445536
  C      -2.134156      2.613509     -1.850313
  C      -1.440980      1.645310     -1.085675
  C      -1.974242      1.143966      0.083792
  C      -3.237655      1.595958      0.557277
  C      -4.310983     -0.385716      6.791130
  C      -5.279906      0.045870      7.892726
  O      -5.826577      1.375939      7.724320
  C      -6.828806      1.487899      6.821982
  O      -7.202413      0.578958      6.102671
  C      -7.419817      2.878765      6.834134
  N      -6.657130      3.833138      7.344868
  C      -7.162235      5.091370      7.349385
  N      -8.339465      5.481646      6.907110
  C      -9.146766      4.509419      6.392309
  C     -10.423566      4.880053      5.903781
  C     -11.269005      3.922940      5.386882
  C     -10.870299      2.566051      5.340228
  C      -9.628843      2.173347      5.797168
  C      -8.732752      3.135030      6.333384
  H      -2.926178      4.171717      7.707860
  H      -4.204657      3.337567      6.818496
  H      -2.938952      5.813477      5.562511
  H      -4.112289      5.969817      6.913168
  H      -8.742958      3.259145      3.525645
  H      -8.993009      6.021433     -0.135148
  H      -7.440246      7.664549     -1.205480
  H      -5.190822      8.077703     -0.229208
  H      -4.454392      6.867482      1.799271
  H      -2.419785     -1.518490      5.220321
  H      -0.751135     -1.977048      4.820849
  H      -2.880156     -2.406815      3.142975
  H      -1.221629     -2.142742      2.522456
  H      -6.757265      2.777101      1.427529
  H      -3.953303      3.774354     -2.020073
  H      -1.688903      2.997154     -2.769478
  H      -0.468279      1.286677     -1.426029
  H      -1.424011      0.396951      0.648226
  H      -4.843839     -0.401754      5.835013
  H      -4.037072     -1.431688      7.038860
  H      -6.107061     -0.678142      7.925106
  H      -4.792016      0.086872      8.874847
  H      -6.507091      5.861529      7.768423
  H     -10.704296      5.932440      5.956706
  H     -12.253351      4.208203      5.012581
  H     -11.554162      1.820227      4.932290
  H      -9.323617      1.131303      5.743895
  N      -2.080546      2.423513      3.469037
  N      -1.858448      3.015220      2.372386
  H      -2.527427      3.708935      2.013517
  H      -0.981511      2.897730      1.852982
99
Coordinates from ORCA-job orca E -6706.937693505817
  N      -2.311331      3.304597      5.892739
  Mo     -2.509199      1.501532      5.042315
  N      -3.116994      0.448957      6.647277
  C      -2.142107      0.169416      7.696192
  C      -1.151217      1.303390      7.871828
  N      -0.468185      1.662193      6.606449
  C      -0.016109      3.067021      6.615228
  C      -1.016114      3.917382      5.792663
  C       0.532234      0.686126      6.151326
  C       0.217515      0.379759      4.677577
  N      -1.180571      0.064265      4.642444
  H      -0.679784      3.946417      4.745121
  H      -1.025317      4.956319      6.159821
  H       0.998904      3.144861      6.206008
  H       0.012144      3.428136      7.653941
  H       0.833062     -0.453558      4.301486
  H       0.432968      1.271004      4.060207
  H       0.417261     -0.242647      6.725842
  H       1.552536      1.067822      6.304477
  H      -2.635174      0.003002      8.669965
  H      -1.613493     -0.775773      7.452408
  H      -1.695792      2.194406      8.207332
  H      -0.404011      1.044815      8.642864
  C      -3.308348      3.964271      6.710576
  C      -3.756570      5.317004      6.143072
  O      -4.895088      5.185053      5.256106
  C      -4.695802      5.161917      3.933003
  O      -3.612976      5.239117      3.370320
  C      -6.016869      5.020392      3.216677
  N      -6.879593      4.175336      3.761491
  C      -8.058459      3.999979      3.109078
  N      -8.461161      4.613464      2.012135
  C      -7.590574      5.504770      1.454289
  C      -7.975076      6.194358      0.278771
  C      -7.107109      7.089511     -0.307383
  C      -5.830142      7.331417      0.255362
  C      -5.424995      6.676920      1.399076
  C      -6.294970      5.747294      2.023929
  C      -1.594641     -1.315462      4.528246
  C      -2.059528     -1.700898      3.105223
  O      -2.458050     -0.565342      2.285969
  C      -3.368998      0.286415      2.754025
  O      -3.880608      0.165665      3.913675
  C      -3.932053      1.195666      1.715378
  N      -5.136942      1.662509      2.028025
  C      -5.720343      2.510306      1.153091
  N      -5.197817      2.988996      0.037618
  C      -3.953229      2.543748     -0.291427
  C      -3.366282      3.036188     -1.485016
  C      -2.134842      2.575610     -1.892832
  C      -1.451388      1.603336     -1.124568
  C      -1.985476      1.119484      0.052104
  C      -3.240045      1.594571      0.524964
  C      -4.316921     -0.368107      6.772170
  C      -5.279256      0.056905      7.881908
  O      -5.831997      1.384584      7.719928
  C      -6.847637      1.489625      6.832450
  O      -7.229716      0.574009      6.125714
  C      -7.447059      2.876019      6.847984
  N      -6.685890      3.835915      7.351330
  C      -7.194132      5.092721      7.348165
  N      -8.373729      5.476982      6.906453
  C      -9.180309      4.499352      6.401251
  C     -10.458901      4.863801      5.912767
  C     -11.302437      3.901539      5.402070
  C     -10.899612      2.545685      5.361925
  C      -9.656154      2.158896      5.819070
  C      -8.762044      3.125742      6.349249
  H      -2.920400      4.158128      7.734803
  H      -4.196007      3.328175      6.840996
  H      -2.942980      5.821531      5.605847
  H      -4.121311      5.960451      6.954229
  H      -8.741663      3.274349      3.561268
  H      -8.963437      5.990678     -0.134353
  H      -7.402928      7.621096     -1.213177
  H      -5.161572      8.047903     -0.224240
  H      -4.440037      6.863038      1.823674
  H      -2.420023     -1.508607      5.224958
  H      -0.762444     -1.984416      4.809381
  H      -2.906477     -2.401014      3.150503
  H      -1.251837     -2.151228      2.517256
  H      -6.732115      2.833410      1.411943
  H      -3.934899      3.765944     -2.062334
  H      -1.688626      2.944963     -2.817383
  H      -0.486542      1.227482     -1.468676
  H      -1.442496      0.370161      0.620829
  H      -4.854611     -0.384202      5.818748
  H      -4.041166     -1.415050      7.015625
  H      -6.103995     -0.669673      7.920580
  H      -4.783941      0.096234      8.860379
  H      -6.539633      5.868051      7.758801
  H     -10.742067      5.915777      5.960176
  H     -12.287887      4.182054      5.027133
  H     -11.581460      1.795664      4.958336
  H      -9.348038      1.117501      5.770139
  N      -2.033943      2.432579      3.468816
  N      -1.785611      3.038641      2.381284
  H      -2.427133      3.766104      2.041355
  H      -0.916893      2.890866      1.857547
99
Coordinates from ORCA-job orca E -6706.942551140782
  N      -2.327682      3.312029      5.897201
  Mo     -2.491620      1.505358      5.033921
  N      -3.105740      0.460835      6.648467
  C      -2.126927      0.196609      7.697357
  C      -1.139268      1.334901      7.856668
  N      -0.460912      1.687464      6.585989
  C      -0.018335      3.096583      6.589452
  C      -1.039200      3.939710      5.785486
  C       0.543822      0.712593      6.136024
  C       0.228557      0.382266      4.667246
  N      -1.167060      0.059361      4.636852
  H      -0.717934      3.978828      4.733726
  H      -1.054802      4.976167      6.159465
  H       0.991749      3.181470      6.169655
  H       0.020712      3.455848      7.628678
  H       0.850963     -0.452050      4.304405
  H       0.437927      1.266097      4.037009
  H       0.435781     -0.209294      6.723165
  H       1.562353      1.101616      6.282513
  H      -2.612278      0.037670      8.676243
  H      -1.595126     -0.749325      7.461856
  H      -1.685378      2.226833      8.186169
  H      -0.388234      1.087521      8.627715
  C      -3.318248      3.954416      6.734630
  C      -3.783238      5.306739      6.179021
  O      -4.918267      5.170404      5.288717
  C      -4.712023      5.153172      3.965858
  O      -3.625536      5.228978      3.410435
  C      -6.030528      5.047948      3.239523
  N      -6.914979      4.213986      3.767071
  C      -8.091226      4.069847      3.102938
  N      -8.471933      4.702347      2.008661
  C      -7.579103      5.582049      1.468244
  C      -7.938479      6.290332      0.295931
  C      -7.047439      7.173760     -0.273132
  C      -5.771812      7.385423      0.304471
  C      -5.390768      6.711838      1.445406
  C      -6.284384      5.792948      2.052478
  C      -1.583747     -1.319729      4.545209
  C      -2.071927     -1.719357      3.132861
  O      -2.485505     -0.595611      2.300521
  C      -3.378816      0.272593      2.760900
  O      -3.861525      0.193813      3.937223
  C      -3.948307      1.175168      1.721723
  N      -5.144230      1.654913      2.050192
  C      -5.738520      2.492337      1.173137
  N      -5.232014      2.954413      0.043078
  C      -3.995392      2.499098     -0.300800
  C      -3.422242      2.973781     -1.508034
  C      -2.198964      2.501142     -1.926500
  C      -1.508166      1.536204     -1.155463
  C      -2.028288      1.068987      0.034183
  C      -3.276053      1.553901      0.514220
  C      -4.298687     -0.363431      6.780113
  C      -5.258983      0.053372      7.895021
  O      -5.821645      1.376314      7.733567
  C      -6.840721      1.470723      6.848899
  O      -7.211509      0.550039      6.142315
  C      -7.450986      2.851996      6.856353
  N      -6.706421      3.817717      7.374343
  C      -7.221188      5.071509      7.356703
  N      -8.392676      5.448633      6.887515
  C      -9.182847      4.465642      6.367862
  C     -10.451723      4.822427      5.849302
  C     -11.278014      3.854918      5.320711
  C     -10.867249      2.501184      5.292711
  C      -9.632899      2.121650      5.779804
  C      -8.756155      3.094002      6.328701
  H      -2.924612      4.146406      7.757233
  H      -4.198534      3.309272      6.867736
  H      -2.975369      5.824440      5.645610
  H      -4.154233      5.940138      6.995009
  H      -8.793294      3.353767      3.540806
  H      -8.926576      6.110184     -0.128509
  H      -7.323858      7.719512     -1.176593
  H      -5.084815      8.093643     -0.161089
  H      -4.406964      6.875574      1.881739
  H      -2.397137     -1.507643      5.257711
  H      -0.749870     -1.990877      4.816453
  H      -2.917665     -2.419296      3.196039
  H      -1.273359     -2.174647      2.536469
  H      -6.746028      2.820827      1.441356
  H      -3.993740      3.700076     -2.086801
  H      -1.763557      2.857191     -2.861358
  H      -0.549554      1.152978     -1.508618
  H      -1.479664      0.326593      0.606424
  H      -4.842252     -0.384217      5.829943
  H      -4.015046     -1.409179      7.021465
  H      -6.077800     -0.679602      7.938245
  H      -4.759778      0.096280      8.871277
  H      -6.581187      5.851761      7.780119
  H     -10.741115      5.873043      5.887993
  H     -12.255691      4.129644      4.921963
  H     -11.535244      1.746781      4.874456
  H      -9.318386      1.081841      5.739930
  N      -2.007263      2.427329      3.465798
  N      -1.747953      3.040330      2.381825
  H      -2.369377      3.793593      2.062650
  H      -0.892794      2.863934      1.846205
99
Coordinates from ORCA-job orca E -6706.946637021676
  N      -2.343605      3.320439      5.898103
  Mo     -2.470421      1.519587      5.007113
  N      -3.119063      0.474622      6.612806
  C      -2.150960      0.208189      7.670681
  C      -1.161036      1.342856      7.835621
  N      -0.472043      1.695356      6.569690
  C      -0.029098      3.106037      6.583443
  C      -1.055897      3.955169      5.794183
  C       0.537563      0.718731      6.131681
  C       0.238540      0.377445      4.662153
  N      -1.156812      0.058063      4.615778
  H      -0.738650      4.010226      4.742208
  H      -1.074563      4.985978      6.183528
  H       0.980204      3.194337      6.162504
  H       0.014065      3.454666      7.626331
  H       0.866574     -0.459098      4.313996
  H       0.455847      1.257540      4.029067
  H       0.423842     -0.199387      6.723953
  H       1.554820      1.107986      6.286517
  H      -2.641654      0.051706      8.647328
  H      -1.620369     -0.740258      7.441022
  H      -1.707060      2.235884      8.161377
  H      -0.416015      1.095049      8.612365
  C      -3.328991      3.948322      6.750964
  C      -3.801606      5.301203      6.203939
  O      -4.927746      5.160771      5.304213
  C      -4.711457      5.146241      3.982398
  O      -3.621042      5.214859      3.434128
  C      -6.024544      5.019856      3.250499
  N      -6.906919      4.189185      3.787098
  C      -8.078010      4.024884      3.118790
  N      -8.453883      4.630924      2.007569
  C      -7.563359      5.506885      1.457127
  C      -7.918228      6.189122      0.267993
  C      -7.030400      7.070409     -0.309580
  C      -5.762855      7.306748      0.276514
  C      -5.386248      6.658484      1.433544
  C      -6.275964      5.741160      2.048645
  C      -1.584734     -1.316392      4.528252
  C      -2.081274     -1.713410      3.116828
  O      -2.490111     -0.590427      2.277576
  C      -3.364681      0.296883      2.728079
  O      -3.837626      0.248294      3.910312
  C      -3.917412      1.206138      1.686647
  N      -5.106234      1.705077      2.011910
  C      -5.689198      2.542319      1.127048
  N      -5.175683      2.990780     -0.005275
  C      -3.944721      2.518500     -0.344146
  C      -3.361444      2.979145     -1.551978
  C      -2.142316      2.489372     -1.962754
  C      -1.464097      1.522405     -1.182915
  C      -1.994198      1.067683      0.007188
  C      -3.240469      1.567047      0.476445
  C      -4.312564     -0.349815      6.730303
  C      -5.273821      0.053760      7.850403
  O      -5.840636      1.377296      7.708335
  C      -6.875988      1.484234      6.843709
  O      -7.267631      0.570440      6.139075
  C      -7.488363      2.863768      6.889432
  N      -6.734939      3.817998      7.416216
  C      -7.246813      5.072578      7.432285
  N      -8.425150      5.461322      6.989698
  C      -9.225552      4.490317      6.463517
  C     -10.502790      4.859914      5.974873
  C     -11.339790      3.905401      5.439639
  C     -10.931664      2.552114      5.374937
  C      -9.689709      2.160290      5.832481
  C      -8.801553      3.118976      6.387435
  H      -2.934435      4.135037      7.774278
  H      -4.205977      3.298493      6.879669
  H      -2.994128      5.828750      5.679458
  H      -4.184082      5.925959      7.021387
  H      -8.778099      3.311670      3.564361
  H      -8.900753      5.991718     -0.161788
  H      -7.303609      7.596086     -1.225884
  H      -5.078846      8.013971     -0.195003
  H      -4.409500      6.842251      1.877991
  H      -2.396784     -1.499566      5.243959
  H      -0.757490     -1.998253      4.793421
  H      -2.931809     -2.407148      3.181197
  H      -1.287470     -2.174126      2.518329
  H      -6.694509      2.881270      1.387379
  H      -3.921018      3.709381     -2.137434
  H      -1.699259      2.835186     -2.897910
  H      -0.507943      1.127860     -1.530274
  H      -1.455011      0.324714      0.587779
  H      -4.854337     -0.360433      5.779048
  H      -4.031013     -1.398964      6.960503
  H      -6.090258     -0.681990      7.888898
  H      -4.771616      0.086565      8.825481
  H      -6.598481      5.843176      7.861003
  H     -10.789542      5.909887      6.041477
  H     -12.323599      4.190195      5.063580
  H     -11.607833      1.807796      4.951687
  H      -9.378068      1.121194      5.765016
  N      -1.947863      2.444072      3.457844
  N      -1.659903      3.068883      2.385484
  H      -2.249432      3.854812      2.084037
  H      -0.813842      2.860675      1.847555
99
Coordinates from ORCA-job orca E -6706.950286716584
  N      -2.366218      3.326810      5.902500
  Mo     -2.453931      1.522876      5.006591
  N      -3.103193      0.486675      6.620265
  C      -2.128643      0.233982      7.674924
  C      -1.142635      1.373950      7.819440
  N      -0.468342      1.719571      6.542259
  C      -0.033860      3.134852      6.547488
  C      -1.084139      3.976233      5.783359
  C       0.547868      0.744572      6.110827
  C       0.245188      0.376314      4.648728
  N      -1.148854      0.051091      4.610688
  H      -0.787258      4.040397      4.726465
  H      -1.106387      5.004290      6.179751
  H       0.965833      3.229867      6.105688
  H       0.030575      3.480829      7.590327
  H       0.878884     -0.461173      4.313112
  H       0.454670      1.248382      4.001723
  H       0.445062     -0.164437      6.719092
  H       1.562939      1.143853      6.254210
  H      -2.609237      0.084888      8.657806
  H      -1.595712     -0.714769      7.450973
  H      -1.689874      2.266653      8.143143
  H      -0.388194      1.138189      8.590681
  C      -3.340249      3.942769      6.775695
  C      -3.823571      5.297764      6.242509
  O      -4.943213      5.160494      5.335067
  C      -4.715779      5.155930      4.014313
  O      -3.620942      5.223902      3.475151
  C      -6.026040      5.062360      3.271764
  N      -6.929568      4.246616      3.796068
  C      -8.100366      4.114081      3.120933
  N      -8.456010      4.735176      2.011288
  C      -7.543371      5.595490      1.472563
  C      -7.875914      6.292803      0.285699
  C      -6.966401      7.159367     -0.280008
  C      -5.698521      7.366139      0.316340
  C      -5.343133      6.702377      1.471260
  C      -6.255250      5.798614      2.074005
  C      -1.579396     -1.322467      4.544991
  C      -2.104983     -1.731984      3.146056
  O      -2.530835     -0.619524      2.298321
  C      -3.384864      0.284301      2.748183
  O      -3.831735      0.266745      3.940158
  C      -3.944581      1.188482      1.706436
  N      -5.126104      1.696757      2.043482
  C      -5.720562      2.522120      1.155246
  N      -5.222243      2.953334      0.009536
  C      -3.997511      2.473112     -0.340340
  C      -3.428580      2.916625     -1.561348
  C      -2.215557      2.419075     -1.980556
  C      -1.527917      1.462532     -1.195861
  C      -2.044362      1.023568      0.005924
  C      -3.286037      1.527872      0.480990
  C      -4.288890     -0.346937      6.745769
  C      -5.248509      0.047222      7.870554
  O      -5.828322      1.364200      7.726025
  C      -6.866666      1.454302      6.863103
  O      -7.244079      0.532881      6.160637
  C      -7.489130      2.829737      6.892017
  N      -6.754618      3.791069      7.432756
  C      -7.273270      5.042643      7.429332
  N      -8.441572      5.423122      6.953513
  C      -9.223125      4.444932      6.412979
  C     -10.489209      4.805077      5.889212
  C     -11.307117      3.843433      5.337678
  C     -10.890619      2.491921      5.291444
  C      -9.659226      2.109120      5.783681
  C      -8.790480      3.075403      6.355935
  H      -2.935116      4.127522      7.795159
  H      -4.212518      3.287707      6.907268
  H      -3.018660      5.837746      5.726675
  H      -4.212440      5.909939      7.066341
  H      -8.819396      3.414287      3.557493
  H      -8.859488      6.118887     -0.151739
  H      -7.222598      7.696437     -1.194600
  H      -4.997123      8.062694     -0.145374
  H      -4.366381      6.863311      1.923891
  H      -2.377083     -1.500619      5.278263
  H      -0.749450     -2.006546      4.795848
  H      -2.954083     -2.424836      3.232203
  H      -1.322587     -2.197570      2.536495
  H      -6.722666      2.864357      1.423309
  H      -3.993037      3.640951     -2.149389
  H      -1.783487      2.752235     -2.925369
  H      -0.575760      1.063862     -1.549344
  H      -1.498075      0.289483      0.591593
  H      -4.837228     -0.361485      5.798438
  H      -3.997909     -1.394237      6.973175
  H      -6.057186     -0.696781      7.912917
  H      -4.742904      0.086856      8.843645
  H      -6.640845      5.819178      7.870833
  H     -10.782841      5.853885      5.942564
  H     -12.282129      4.121092      4.934390
  H     -11.551557      1.741680      4.854827
  H      -9.340484      1.071295      5.730562
  N      -1.926505      2.440291      3.458938
  N      -1.636733      3.067287      2.386934
  H      -2.203886      3.876993      2.107604
  H      -0.810677      2.828950      1.831277
99
Coordinates from ORCA-job orca E -6706.953578619456
  N      -2.385355      3.334092      5.901847
  Mo     -2.433952      1.532153      4.996049
  N      -3.100987      0.501399      6.606954
  C      -2.128482      0.251470      7.663667
  C      -1.142124      1.391640      7.798838
  N      -0.475547      1.732487      6.514471
  C      -0.041589      3.150571      6.519627
  C      -1.105705      3.994431      5.779834
  C       0.547686      0.756207      6.094868
  C       0.250771      0.366916      4.637617
  N      -1.143900      0.044107      4.596763
  H      -0.822079      4.073437      4.720806
  H      -1.129155      5.016872      6.190099
  H       0.949994      3.248691      6.060585
  H       0.042984      3.487544      7.564100
  H       0.887541     -0.473855      4.316273
  H       0.462191      1.231589      3.981027
  H       0.448147     -0.144418      6.716158
  H       1.560619      1.161897      6.235418
  H      -2.607013      0.108358      8.648518
  H      -1.597023     -0.699426      7.444595
  H      -1.688269      2.284981      8.121947
  H      -0.382607      1.161086      8.566436
  C      -3.349446      3.936609      6.795194
  C      -3.845733      5.291204      6.273920
  O      -4.958846      5.151406      5.359554
  C      -4.721601      5.154244      4.040106
  O      -3.623577      5.230963      3.509212
  C      -6.027603      5.063670      3.288115
  N      -6.940215      4.255182      3.808059
  C      -8.107367      4.128758      3.125568
  N      -8.449684      4.745603      2.009263
  C      -7.526789      5.596768      1.473553
  C      -7.844301      6.289052      0.279580
  C      -6.924846      7.147404     -0.282523
  C      -5.661507      7.350998      0.324642
  C      -5.320533      6.691655      1.486402
  C      -6.243051      5.795876      2.085351
  C      -1.583452     -1.326015      4.542854
  C      -2.129988     -1.738986      3.151330
  O      -2.560109     -0.631191      2.297235
  C      -3.392077      0.291579      2.744922
  O      -3.826712      0.296892      3.939565
  C      -3.943474      1.199064      1.699888
  N      -5.119026      1.719828      2.037129
  C      -5.711174      2.540430      1.142560
  N      -5.213690      2.956940     -0.008754
  C      -3.993514      2.465160     -0.357679
  C      -3.424032      2.895140     -1.583315
  C      -2.214132      2.387850     -1.999684
  C      -1.529286      1.435818     -1.206801
  C      -2.047056      1.008818     -0.001473
  C      -3.287682      1.519917      0.468504
  C      -4.285465     -0.333847      6.730745
  C      -5.241945      0.052608      7.860688
  O      -5.824774      1.368664      7.720680
  C      -6.871364      1.455116      6.867461
  O      -7.255100      0.530159      6.173161
  C      -7.501718      2.827221      6.904826
  N      -6.774432      3.789182      7.454384
  C      -7.300343      5.037559      7.459040
  N      -8.469801      5.414837      6.983054
  C      -9.244323      4.435844      6.434263
  C     -10.511995      4.792247      5.911432
  C     -11.323402      3.829981      5.351587
  C     -10.898665      2.481318      5.295898
  C      -9.665852      2.102200      5.787330
  C      -8.803361      3.069347      6.367722
  H      -2.933705      4.120027      7.810554
  H      -4.216135      3.275122      6.929593
  H      -3.044369      5.844773      5.766923
  H      -4.243565      5.890471      7.102824
  H      -8.834800      3.436201      3.559405
  H      -8.824883      6.118428     -0.165859
  H      -7.169629      7.680565     -1.202532
  H      -4.952156      8.041464     -0.134089
  H      -4.347405      6.849402      1.948219
  H      -2.372894     -1.498223      5.286741
  H      -0.755895     -2.017026      4.782517
  H      -2.981913     -2.426310      3.250916
  H      -1.357130     -2.211713      2.535174
  H      -6.710592      2.890770      1.409371
  H      -3.984657      3.618192     -2.176568
  H      -1.781386      2.711136     -2.947614
  H      -0.578321      1.031431     -1.556996
  H      -1.502835      0.279000      0.591644
  H      -4.837556     -0.342369      5.785696
  H      -3.993491     -1.382683      6.950113
  H      -6.048263     -0.693903      7.902725
  H      -4.733388      0.090509      8.832311
  H      -6.674440      5.814407      7.909024
  H     -10.811960      5.838861      5.972367
  H     -12.299460      4.104870      4.948899
  H     -11.554402      1.730352      4.852708
  H      -9.340808      1.066703      5.727630
  N      -1.885185      2.446674      3.458695
  N      -1.585329      3.077157      2.390262
  H      -2.122713      3.913427      2.130955
  H      -0.778545      2.808285      1.820716
99
Coordinates from ORCA-job orca E -6706.956643859952
  N      -2.403143      3.342534      5.901031
  Mo     -2.414481      1.541936      4.990739
  N      -3.095653      0.516381      6.599162
  C      -2.122346      0.269057      7.655606
  C      -1.135830      1.409900      7.778028
  N      -0.483501      1.745180      6.482566
  C      -0.047880      3.166178      6.486593
  C      -1.126577      4.014561      5.775457
  C       0.547297      0.767164      6.074196
  C       0.253135      0.355206      4.623478
  N      -1.142958      0.035801      4.583214
  H      -0.858427      4.110595      4.714318
  H      -1.150100      5.030384      6.201381
  H       0.932896      3.266141      6.005300
  H       0.062736      3.492396      7.532099
  H       0.891160     -0.489685      4.315874
  H       0.466163      1.211078      3.955637
  H       0.452745     -0.123748      6.710131
  H       1.557665      1.180814      6.209654
  H      -2.596711      0.132215      8.643365
  H      -1.592817     -0.683763      7.440014
  H      -1.679661      2.303808      8.102702
  H      -0.367112      1.184992      8.537698
  C      -3.356863      3.931487      6.814978
  C      -3.863753      5.287201      6.308251
  O      -4.969579      5.149402      5.385462
  C      -4.722015      5.165216      4.067555
  O      -3.620367      5.247502      3.545656
  C      -6.023062      5.074927      3.305440
  N      -6.943873      4.274441      3.823172
  C      -8.108124      4.152941      3.135111
  N      -8.439118      4.764778      2.012669
  C      -7.507144      5.606464      1.477751
  C      -7.812340      6.292400      0.276883
  C      -6.884436      7.142061     -0.284346
  C      -5.624509      7.343210      0.330616
  C      -5.295218      6.689684      1.499007
  C      -6.226509      5.802168      2.097158
  C      -1.591667     -1.330819      4.540779
  C      -2.161067     -1.746446      3.157653
  O      -2.596118     -0.642812      2.298840
  C      -3.405302      0.297783      2.747671
  O      -3.829069      0.321614      3.943013
  C      -3.948960      1.208686      1.698579
  N      -5.119909      1.738655      2.034774
  C      -5.710930      2.553598      1.133631
  N      -5.214593      2.955721     -0.022980
  C      -3.997459      2.455137     -0.369766
  C      -3.427738      2.872320     -1.599731
  C      -2.219181      2.358488     -2.011895
  C      -1.535424      1.413120     -1.209813
  C      -2.054422      0.997280     -0.001361
  C      -3.295310      1.512489      0.462526
  C      -4.278273     -0.321607      6.725151
  C      -5.231162      0.056183      7.861155
  O      -5.823217      1.368837      7.724666
  C      -6.880040      1.445590      6.882941
  O      -7.262786      0.516494      6.193619
  C      -7.516129      2.815595      6.918757
  N      -6.796973      3.778607      7.477012
  C      -7.327347      5.024955      7.481671
  N      -8.493966      5.399796      6.996859
  C      -9.260755      4.419716      6.439461
  C     -10.525895      4.773753      5.908722
  C     -11.330426      3.810796      5.340453
  C     -10.901031      2.463639      5.283934
  C      -9.670656      2.086804      5.783098
  C      -8.814765      3.054803      6.372164
  H      -2.929247      4.112111      7.825687
  H      -4.218242      3.264174      6.951937
  H      -3.064949      5.855328      5.813352
  H      -4.270925      5.870752      7.143747
  H      -8.843274      3.468484      3.568575
  H      -8.790769      6.124423     -0.174262
  H      -7.119868      7.670362     -1.209582
  H      -4.908384      8.027113     -0.127422
  H      -4.324791      6.844437      1.967203
  H      -2.371727     -1.497272      5.296157
  H      -0.765998     -2.028271      4.768053
  H      -3.015873     -2.427576      3.272383
  H      -1.398932     -2.226866      2.534181
  H      -6.708281      2.910399      1.399140
  H      -3.986262      3.592165     -2.198800
  H      -1.785832      2.672424     -2.962653
  H      -0.584284      1.005230     -1.555404
  H      -1.511260      0.272906      0.599778
  H      -4.835700     -0.326136      5.783478
  H      -3.982544     -1.371004      6.936985
  H      -6.032486     -0.695433      7.905171
  H      -4.718703      0.095921      8.830580
  H      -6.708165      5.802585      7.939489
  H     -10.829530      5.819235      5.970874
  H     -12.304501      4.083875      4.931779
  H     -11.551325      1.711936      4.834025
  H      -9.342117      1.052580      5.723305
  N      -1.848724      2.453270      3.462316
  N      -1.545599      3.086113      2.394944
  H      -2.054094      3.945751      2.155512
  H      -0.761451      2.790501      1.807652
99
Coordinates from ORCA-job orca E -6706.959467538457
  N      -2.420769      3.349716      5.896843
  Mo     -2.394195      1.550077      4.985844
  N      -3.090400      0.529726      6.590973
  C      -2.116297      0.285745      7.647758
  C      -1.129931      1.427863      7.756283
  N      -0.493934      1.757050      6.448179
  C      -0.055456      3.181278      6.450593
  C      -1.148809      4.035493      5.770138
  C       0.546367      0.777720      6.052395
  C       0.255791      0.341580      4.609194
  N      -1.141939      0.025261      4.569443
  H      -0.896658      4.151973      4.707556
  H      -1.173120      5.043215      6.214246
  H       0.912907      3.282167      5.945016
  H       0.083721      3.495656      7.496273
  H       0.894681     -0.507963      4.316730
  H       0.471275      1.186982      3.928625
  H       0.457437     -0.102439      6.703892
  H       1.553083      1.201486      6.183208
  H      -2.587238      0.156384      8.638149
  H      -1.588615     -0.669093      7.436660
  H      -1.671234      2.322514      8.082455
  H      -0.350456      1.209374      8.506288
  C      -3.366936      3.921417      6.830756
  C      -3.890039      5.275186      6.337768
  O      -4.987718      5.132972      5.406563
  C      -4.729514      5.161551      4.090537
  O      -3.625068      5.262779      3.578530
  C      -6.024628      5.074509      3.316795
  N      -6.952758      4.277068      3.825803
  C      -8.113012      4.163053      3.129866
  N      -8.432851      4.777926      2.005859
  C      -7.492400      5.614800      1.478269
  C      -7.785102      6.302125      0.275050
  C      -6.848795      7.146994     -0.279342
  C      -5.592474      7.341605      0.344950
  C      -5.275144      6.686527      1.515778
  C      -6.215393      5.803782      2.107314
  C      -1.598523     -1.338203      4.537525
  C      -2.188111     -1.756694      3.162453
  O      -2.626890     -0.657180      2.298842
  C      -3.415028      0.299534      2.748793
  O      -3.831222      0.339607      3.943361
  C      -3.949533      1.213478      1.693629
  N      -5.117783      1.749879      2.025714
  C      -5.706649      2.559081      1.117048
  N      -5.209447      2.947639     -0.043443
  C      -3.993461      2.440675     -0.385106
  C      -3.421095      2.846224     -1.617745
  C      -2.211468      2.328764     -2.022210
  C      -1.528915      1.391640     -1.209172
  C      -2.051516      0.985784      0.000921
  C      -3.294870      1.502744      0.455413
  C      -4.272898     -0.308186      6.720558
  C      -5.221685      0.066830      7.860599
  O      -5.817163      1.378586      7.723820
  C      -6.880429      1.449924      6.889496
  O      -7.268801      0.515633      6.210374
  C      -7.525508      2.816090      6.931153
  N      -6.816026      3.779961      7.500167
  C      -7.355805      5.022274      7.512967
  N      -8.522986      5.392465      7.026087
  C      -9.279886      4.411415      6.457174
  C     -10.545646      4.760894      5.924739
  C     -11.341110      3.797119      5.345298
  C     -10.901474      2.453709      5.278838
  C      -9.670386      2.081437      5.779674
  C      -8.823534      3.050375      6.380306
  H      -2.928114      4.101404      7.836569
  H      -4.220054      3.244574      6.970850
  H      -3.096522      5.861222      5.855384
  H      -4.309528      5.841196      7.179156
  H      -8.854935      3.482214      3.557337
  H      -8.761000      6.139188     -0.183388
  H      -7.074572      7.676337     -1.206403
  H      -4.869409      8.021685     -0.107906
  H      -4.307245      6.834737      1.991212
  H      -2.370000     -1.499399      5.303087
  H      -0.774388     -2.040858      4.754242
  H      -3.045750     -2.431537      3.291438
  H      -1.435823     -2.245192      2.533348
  H      -6.702711      2.921410      1.379580
  H      -3.977713      3.561483     -2.224046
  H      -1.775559      2.634262     -2.974533
  H      -0.575717      0.982368     -1.547423
  H      -1.509734      0.267734      0.611295
  H      -4.835105     -0.309152      5.781897
  H      -3.975999     -1.358316      6.927187
  H      -6.021155     -0.686505      7.907127
  H      -4.706631      0.108649      8.828507
  H      -6.745384      5.800409      7.981510
  H     -10.857001      5.803611      5.994806
  H     -12.315641      4.066603      4.935298
  H     -11.544559      1.701186      4.819991
  H      -9.334164      1.050115      5.712860
  N      -1.811494      2.457607      3.466420
  N      -1.508267      3.092227      2.398963
  H      -1.989399      3.972058      2.177634
  H      -0.747677      2.774420      1.792861
99
Coordinates from ORCA-job orca E -6706.961990926864
  N      -2.436530      3.359095      5.893481
  Mo     -2.377349      1.559535      4.983827
  N      -3.084421      0.543861      6.587734
  C      -2.105989      0.304519      7.642333
  C      -1.119041      1.447601      7.733617
  N      -0.503963      1.769854      6.410527
  C      -0.060340      3.196561      6.409443
  C      -1.169827      4.058342      5.765176
  C       0.544970      0.789226      6.024277
  C       0.253541      0.328364      4.590160
  N      -1.146211      0.015661      4.554747
  H      -0.936973      4.198957      4.701421
  H      -1.193297      5.056147      6.230691
  H       0.892367      3.296304      5.874867
  H       0.112863      3.498913      7.453453
  H       0.891538     -0.526811      4.312572
  H       0.470921      1.161421      3.894802
  H       0.463702     -0.079579      6.691753
  H       1.547869      1.223982      6.147487
  H      -2.571111      0.183621      8.636514
  H      -1.580584     -0.652379      7.435131
  H      -1.655954      2.343524      8.062832
  H      -0.325959      1.235029      8.470358
  C      -3.373518      3.911420      6.849554
  C      -3.910201      5.266614      6.376764
  O      -4.999496      5.128359      5.435895
  C      -4.729958      5.178744      4.122359
  O      -3.621246      5.289726      3.622082
  C      -6.017238      5.089096      3.335413
  N      -6.951840      4.295859      3.839057
  C      -8.107703      4.184465      3.135672
  N      -8.417124      4.797050      2.007590
  C      -7.469544      5.628292      1.483944
  C      -7.751462      6.311771      0.275949
  C      -6.808678      7.151519     -0.275116
  C      -5.556391      7.344509      0.357500
  C      -5.249377      6.693130      1.533161
  C      -6.196358      5.815301      2.121761
  C      -1.610279     -1.344682      4.534553
  C      -2.221911     -1.766338      3.169132
  O      -2.665108     -0.670758      2.301567
  C      -3.432260      0.301000      2.753737
  O      -3.838819      0.357105      3.948354
  C      -3.958847      1.217557      1.692976
  N      -5.124892      1.759218      2.021482
  C      -5.712424      2.562888      1.105997
  N      -5.215510      2.938008     -0.058668
  C      -4.000424      2.425679     -0.396079
  C      -3.426384      2.819517     -1.631706
  C      -2.215334      2.299519     -2.028711
  C      -1.532677      1.371639     -1.205017
  C      -2.057839      0.975732      0.007161
  C      -3.303780      1.493971      0.452699
  C      -4.265224     -0.295261      6.725047
  C      -5.208218      0.075458      7.871114
  O      -5.814708      1.382625      7.734008
  C      -6.887916      1.440971      6.911244
  O      -7.272495      0.501172      6.237511
  C      -7.538530      2.804913      6.945502
  N      -6.839589      3.770801      7.524046
  C      -7.384794      5.010808      7.533490
  N      -8.547429      5.377235      7.033298
  C      -9.293756      4.394274      6.453861
  C     -10.554738      4.740410      5.908058
  C     -11.340600      3.774942      5.318513
  C     -10.895438      2.433259      5.254877
  C      -9.668695      2.064266      5.768712
  C      -8.831441      3.034953      6.380072
  H      -2.922099      4.086177      7.850473
  H      -4.218874      3.225791      6.991718
  H      -3.120934      5.871536      5.910940
  H      -4.341223      5.811097      7.226414
  H      -8.855332      3.507984      3.560036
  H      -8.724634      6.150210     -0.188729
  H      -7.026107      7.677990     -1.205805
  H      -4.827941      8.020552     -0.092803
  H      -4.284381      6.839193      2.014796
  H      -2.371706     -1.500171      5.311599
  H      -0.787307     -2.052024      4.740349
  H      -3.082426     -2.434220      3.313851
  H      -1.480998     -2.263958      2.533725
  H      -6.706960      2.930819      1.366671
  H      -3.982101      3.529283     -2.245249
  H      -1.777647      2.596592     -2.982870
  H      -0.577314      0.961809     -1.536425
  H      -1.516678      0.264500      0.626366
  H      -4.834176     -0.295474      5.790471
  H      -3.964207     -1.345056      6.927211
  H      -6.002299     -0.683054      7.924320
  H      -4.688000      0.123831      8.835896
  H      -6.783454      5.790474      8.011161
  H     -10.870302      5.781961      5.976592
  H     -12.311579      4.041689      4.898402
  H     -11.530850      1.679242      4.787838
  H      -9.328391      1.034241      5.704310
  N      -1.782611      2.462997      3.470924
  N      -1.484112      3.099589      2.402237
  H      -1.940754      3.996171      2.198323
  H      -0.749345      2.763051      1.775008
99
Coordinates from ORCA-job orca E -6706.964178297777
  N      -2.452986      3.367714      5.885571
  Mo     -2.362217      1.567239      4.979067
  N      -3.079056      0.556778      6.583075
  C      -2.096201      0.325089      7.636303
  C      -1.108538      1.469330      7.709646
  N      -0.513765      1.783916      6.372096
  C      -0.065820      3.212807      6.364481
  C      -1.192437      4.081333      5.757884
  C       0.544528      0.803187      5.995206
  C       0.252182      0.316647      4.570835
  N      -1.149357      0.006486      4.539313
  H      -0.978958      4.249155      4.694217
  H      -1.215896      5.067362      6.247400
  H       0.868794      3.310280      5.798696
  H       0.143347      3.505481      7.404494
  H       0.889355     -0.544541      4.310284
  H       0.472009      1.135480      3.859204
  H       0.472378     -0.053826      6.678734
  H       1.542876      1.250365      6.109938
  H      -2.556448      0.214782      8.633964
  H      -1.572461     -0.634079      7.435611
  H      -1.640814      2.366942      8.040980
  H      -0.302227      1.262755      8.433019
  C      -3.381627      3.896521      6.864344
  C      -3.938474      5.250493      6.413864
  O      -5.017830      5.109630      5.462801
  C      -4.735508      5.181776      4.152662
  O      -3.623561      5.321005      3.667029
  C      -6.013538      5.094263      3.350484
  N      -6.953475      4.298800      3.840495
  C      -8.103274      4.192863      3.126667
  N      -8.402193      4.812616      1.999672
  C      -7.448398      5.644447      1.488409
  C      -7.718822      6.333599      0.280987
  C      -6.769881      7.173825     -0.258662
  C      -5.522588      7.361232      0.385262
  C      -5.226722      6.704400      1.560786
  C      -6.180320      5.826175      2.138229
  C      -1.618653     -1.351531      4.532136
  C      -2.249908     -1.778996      3.176799
  O      -2.697431     -0.688764      2.303594
  C      -3.446575      0.296391      2.755123
  O      -3.844084      0.369579      3.949906
  C      -3.964490      1.213482      1.687632
  N      -5.129886      1.759471      2.009357
  C      -5.714029      2.557048      1.085416
  N      -5.215289      2.918153     -0.082593
  C      -4.000037      2.401220     -0.412728
  C      -3.421778      2.782438     -1.650299
  C      -2.207811      2.260805     -2.036220
  C      -1.526065      1.343904     -1.199456
  C      -2.056250      0.958869      0.014018
  C      -3.306178      1.477972      0.446972
  C      -4.259016     -0.281403      6.729195
  C      -5.196653      0.091485      7.878561
  O      -5.808593      1.395993      7.735985
  C      -6.887856      1.445002      6.920450
  O      -7.277017      0.496969      6.260915
  C      -7.548648      2.804148      6.956090
  N      -6.861750      3.771918      7.545937
  C      -7.417459      5.007239      7.560735
  N      -8.579571      5.367590      7.055070
  C      -9.313341      4.382883      6.462798
  C     -10.573307      4.723131      5.910984
  C     -11.347387      3.755944      5.308799
  C     -10.890557      2.418597      5.237809
  C      -9.664449      2.055463      5.757434
  C      -8.839279      3.027867      6.382375
  H      -2.917796      4.066670      7.860170
  H      -4.216190      3.198651      7.008810
  H      -3.156891      5.878359      5.965765
  H      -4.384383      5.770220      7.271249
  H      -8.855466      3.515084      3.540797
  H      -8.688324      6.175759     -0.192560
  H      -6.978326      7.704668     -1.188924
  H      -4.788795      8.037410     -0.056128
  H      -4.265129      6.845271      2.050638
  H      -2.370396     -1.501121      5.319966
  H      -0.796134     -2.061802      4.729678
  H      -3.112722     -2.440366      3.336860
  H      -1.519546     -2.286340      2.536880
  H      -6.707563      2.930597      1.341768
  H      -3.975759      3.485316     -2.273288
  H      -1.766403      2.548818     -2.991444
  H      -0.567461      0.934186     -1.521533
  H      -1.516563      0.255549      0.643831
  H      -4.833241     -0.282701      5.797811
  H      -3.956540     -1.330958      6.930598
  H      -5.987957     -0.669299      7.939940
  H      -4.672456      0.147742      8.840729
  H      -6.826752      5.788175      8.049492
  H     -10.897519      5.761625      5.985288
  H     -12.317635      4.018010      4.884069
  H     -11.516451      1.663056      4.760462
  H      -9.315520      1.028704      5.687750
  N      -1.757216      2.465586      3.471305
  N      -1.464068      3.104089      2.401409
  H      -1.899393      4.014074      2.211856
  H      -0.754850      2.751079      1.754286
99
Coordinates from ORCA-job orca E -6706.966030309571
  N      -2.470180      3.378577      5.878905
  Mo     -2.354074      1.576544      4.975253
  N      -3.073985      0.570264      6.582275
  C      -2.083469      0.347735      7.631459
  C      -1.094206      1.492454      7.685587
  N      -0.521742      1.799496      6.333643
  C      -0.070018      3.229621      6.315314
  C      -1.215333      4.104781      5.750884
  C       0.543425      0.818753      5.961119
  C       0.244875      0.307456      4.547300
  N      -1.158724      0.000909      4.522825
  H      -1.023326      4.302067      4.688340
  H      -1.237057      5.077189      6.266646
  H       0.841945      3.323309      5.713327
  H       0.180538      3.515229      7.348016
  H       0.879325     -0.560696      4.303367
  H       0.466782      1.110523      3.818390
  H       0.482869     -0.026789      6.659853
  H       1.537815      1.277483      6.063213
  H      -2.536769      0.248448      8.633470
  H      -1.561495     -0.613640      7.436851
  H      -1.619969      2.392102      8.020860
  H      -0.273955      1.289780      8.393656
  C      -3.387163      3.883499      6.882147
  C      -3.960404      5.239735      6.460957
  O      -5.029420      5.105017      5.498054
  C      -4.733641      5.206866      4.192445
  O      -3.616900      5.364142      3.723577
  C      -6.000616      5.114756      3.373272
  N      -6.945301      4.318705      3.853528
  C      -8.088399      4.212765      3.129449
  N      -8.376844      4.832380      1.999696
  C      -7.417983      5.663414      1.496926
  C      -7.677854      6.351525      0.286570
  C      -6.724769      7.192048     -0.245141
  C      -5.483782      7.380718      0.410308
  C      -5.198147      6.725017      1.589070
  C      -6.155902      5.845979      2.158675
  C      -1.632933     -1.354925      4.531244
  C      -2.286317     -1.789620      3.188194
  O      -2.739208     -0.705497      2.308972
  C      -3.470811      0.292570      2.759002
  O      -3.856111      0.383752      3.954891
  C      -3.981180      1.209512      1.685971
  N      -5.145790      1.760349      2.001385
  C      -5.726031      2.552702      1.069692
  N      -5.225985      2.899628     -0.101918
  C      -4.011071      2.377531     -0.425553
  C      -3.429066      2.745676     -1.665291
  C      -2.212501      2.222204     -2.040482
  C      -1.531479      1.316522     -1.190948
  C      -2.066205      0.942771      0.024104
  C      -3.319806      1.463061      0.444925
  C      -4.250696     -0.269314      6.740334
  C      -5.180486      0.102561      7.896151
  O      -5.804683      1.400861      7.749773
  C      -6.893903      1.433965      6.946773
  O      -7.280060      0.477620      6.297417
  C      -7.560700      2.790365      6.971101
  N      -6.887201      3.760974      7.571884
  C      -7.448884      4.993576      7.580080
  N      -8.604663      5.349257      7.056848
  C      -9.324573      4.362033      6.451985
  C     -10.577240      4.697778      5.881135
  C     -11.338031      3.728140      5.266111
  C     -10.874308      2.392925      5.200572
  C      -9.654911      2.034149      5.738768
  C      -8.843429      3.009028      6.377663
  H      -2.909205      4.043948      7.872670
  H      -4.212794      3.175650      7.027567
  H      -3.185026      5.890694      6.035458
  H      -4.420491      5.730430      7.327769
  H      -8.844329      3.534923      3.536444
  H      -8.642975      6.192647     -0.195495
  H      -6.925069      7.722271     -1.177537
  H      -4.746434      8.057324     -0.024475
  H      -4.241352      6.867224      2.087535
  H      -2.373162     -1.497547      5.331445
  H      -0.810559     -2.067720      4.720201
  H      -3.151271     -2.443717      3.365649
  H      -1.568306     -2.308048      2.543185
  H      -6.717994      2.933074      1.322308
  H      -3.981229      3.441557     -2.297681
  H      -1.767781      2.500912     -2.996932
  H      -0.569974      0.906826     -1.504274
  H      -1.527797      0.247429      0.664006
  H      -4.832477     -0.273527      5.813491
  H      -3.943771     -1.317901      6.940319
  H      -5.965074     -0.664066      7.969858
  H      -4.648597      0.170013      8.853348
  H      -6.869585      5.776586      8.079095
  H     -10.906631      5.734901      5.951619
  H     -12.302762      3.986624      4.826866
  H     -11.489436      1.635299      4.712628
  H      -9.300834      1.008918      5.673448
  N      -1.745108      2.470593      3.470174
  N      -1.459232      3.111711      2.399140
  H      -1.876035      4.032525      2.223094
  H      -0.777309      2.743434      1.731574
99
Coordinates from ORCA-job orca E -6706.967579914041
  N      -2.486867      3.388226      5.870608
  Mo     -2.348737      1.585014      4.968609
  N      -3.069884      0.581988      6.578872
  C      -2.072729      0.369011      7.624820
  C      -1.080660      1.513125      7.662399
  N      -0.527098      1.813430      6.298888
  C      -0.073439      3.243889      6.266738
  C      -1.236795      4.125276      5.745155
  C       0.543034      0.832773      5.928457
  C       0.237844      0.299254      4.524479
  N      -1.167803     -0.002597      4.505482
  H      -1.064141      4.354024      4.685773
  H      -1.256917      5.082205      6.288866
  H       0.812694      3.333000      5.626790
  H       0.220955      3.525269      7.289055
  H       0.868519     -0.576385      4.297567
  H       0.463558      1.086260      3.779428
  H       0.494065     -0.002411      6.640377
  H       1.533998      1.301461      6.017252
  H      -2.520703      0.281329      8.630355
  H      -1.552615     -0.594881      7.437755
  H      -1.598846      2.415233      8.001928
  H      -0.248919      1.311513      8.356741
  C      -3.392231      3.870251      6.896189
  C      -3.984495      5.225629      6.500694
  O      -5.041828      5.091196      5.525209
  C      -4.733816      5.218482      4.224320
  O      -3.615184      5.407549      3.771926
  C      -5.990832      5.124328      3.390027
  N      -6.938020      4.323089      3.856976
  C      -8.074210      4.217946      3.122465
  N      -8.354240      4.842711      1.993348
  C      -7.392398      5.677480      1.502819
  C      -7.643208      6.369860      0.292939
  C      -6.687655      7.214885     -0.227041
  C      -5.453168      7.403818      0.440432
  C      -5.176348      6.744002      1.619087
  C      -6.136602      5.859966      2.176793
  C      -1.646392     -1.356543      4.530240
  C      -2.320056     -1.799756      3.199621
  O      -2.776679     -0.722687      2.312518
  C      -3.492879      0.287673      2.757997
  O      -3.867279      0.397397      3.954565
  C      -3.993144      1.203742      1.678704
  N      -5.157753      1.760027      1.984012
  C      -5.729938      2.548075      1.043071
  N      -5.224576      2.880918     -0.130284
  C      -4.009512      2.352895     -0.443535
  C      -3.419603      2.707584     -1.683456
  C      -2.199570      2.181803     -2.043933
  C      -1.522581      1.287199     -1.179499
  C      -2.066014      0.925110      0.035264
  C      -3.324222      1.447096      0.439872
  C      -4.244421     -0.257222      6.748521
  C      -5.166829      0.118079      7.909015
  O      -5.799514      1.411440      7.755689
  C      -6.897967      1.430797      6.964947
  O      -7.289566      0.463473      6.335267
  C      -7.572375      2.783592      6.984122
  N      -6.910587      3.756131      7.595035
  C      -7.479818      4.985098      7.603502
  N      -8.632850      5.336043      7.070969
  C      -9.340505      4.347326      6.454409
  C     -10.589802      4.678423      5.873504
  C     -11.339038      3.707396      5.246674
  C     -10.866236      2.375516      5.178433
  C      -9.649868      2.021217      5.726473
  C      -8.850414      2.997437      6.378480
  H      -2.900891      4.023842      7.880971
  H      -4.208272      3.152151      7.043839
  H      -3.217059      5.900246      6.098106
  H      -4.461682      5.687207      7.374081
  H      -8.832173      3.536367      3.519117
  H      -8.603665      6.210410     -0.198158
  H      -6.880968      7.748536     -1.158947
  H      -4.713599      8.084195      0.015395
  H      -4.224562      6.887022      2.126729
  H      -2.375640     -1.491555      5.341900
  H      -0.824198     -2.071277      4.712507
  H      -3.187340     -2.445977      3.393809
  H      -1.613976     -2.330342      2.551311
  H      -6.720448      2.936584      1.288668
  H      -3.967380      3.396607     -2.327065
  H      -1.748350      2.450960     -3.000074
  H      -0.557501      0.877104     -1.481070
  H      -1.531283      0.237453      0.686714
  H      -4.832361     -0.264924      5.825411
  H      -3.935592     -1.305212      6.949316
  H      -5.946231     -0.652343      7.996670
  H      -4.627417      0.197601      8.861038
  H      -6.910412      5.769309      8.111978
  H     -10.925836      5.713274      5.945948
  H     -12.301191      3.962271      4.799736
  H     -11.471918      1.616651      4.680682
  H      -9.289317      0.998428      5.659738
  N      -1.737069      2.475967      3.466427
  N      -1.455855      3.120362      2.395456
  H      -1.855968      4.050361      2.230996
  H      -0.800856      2.737550      1.709365
99
Coordinates from ORCA-job orca E -6706.968895232416
  N      -2.503578      3.397376      5.866130
  Mo     -2.350267      1.593970      4.963178
  N      -3.064960      0.592318      6.578603
  C      -2.059221      0.388679      7.618998
  C      -1.063763      1.531469      7.640300
  N      -0.529655      1.826204      6.266714
  C      -0.075982      3.255839      6.217796
  C      -1.257262      4.143287      5.743029
  C       0.541965      0.845737      5.892454
  C       0.225659      0.294004      4.497863
  N      -1.181965     -0.002284      4.487207
  H      -1.103780      4.405771      4.688544
  H      -1.274537      5.082808      6.316221
  H       0.779530      3.340479      5.536856
  H       0.267253      3.534901      7.225725
  H       0.851031     -0.589059      4.284869
  H       0.454037      1.066181      3.738455
  H       0.506183      0.019011      6.614867
  H       1.530511      1.322270      5.964940
  H      -2.500284      0.311895      8.628550
  H      -1.541153     -0.577565      7.438366
  H      -1.572661      2.436233      7.986086
  H      -0.221157      1.328046      8.320537
  C      -3.396277      3.859160      6.912397
  C      -4.004381      5.214977      6.543478
  O      -5.050648      5.086178      5.555285
  C      -4.732415      5.243756      4.259905
  O      -3.611782      5.456168      3.823181
  C      -5.979109      5.143038      3.410407
  N      -6.928196      4.337320      3.866242
  C      -8.057022      4.229901      3.121310
  N      -8.328690      4.855531      1.990569
  C      -7.364834      5.693622      1.510197
  C      -7.607044      6.386318      0.298693
  C      -6.650340      7.235937     -0.211427
  C      -5.423373      7.429411      0.468393
  C      -5.154868      6.769273      1.648875
  C      -6.116031      5.879682      2.196460
  C      -1.664207     -1.354666      4.530719
  C      -2.360766     -1.807651      3.214904
  O      -2.821919     -0.738578      2.319465
  C      -3.523128      0.283794      2.759742
  O      -3.885109      0.412300      3.957316
  C      -4.013807      1.198162      1.674620
  N      -5.178432      1.759945      1.969479
  C      -5.741556      2.544605      1.019783
  N      -5.230040      2.863985     -0.154751
  C      -4.014904      2.329776     -0.457291
  C      -3.416484      2.671311     -1.696868
  C      -2.193084      2.143212     -2.042326
  C      -1.520850      1.259378     -1.163123
  C      -2.073633      0.908617      0.050777
  C      -3.336359      1.432166      0.438846
  C      -4.236138     -0.247662      6.761974
  C      -5.148927      0.130037      7.929224
  O      -5.792424      1.416995      7.769341
  C      -6.902326      1.419402      6.994572
  O      -7.297590      0.440436      6.385369
  C      -7.581011      2.770246      6.999885
  N      -6.932384      3.745876      7.620283
  C      -7.506454      4.972442      7.620122
  N      -8.652554      5.318927      7.069739
  C      -9.346175      4.327619      6.441776
  C     -10.587221      4.654207      5.840907
  C     -11.322692      3.680631      5.201941
  C     -10.843497      2.350669      5.140553
  C      -9.634913      2.000610      5.708201
  C      -8.849882      2.979441      6.373740
  H      -2.891320      4.004822      7.891129
  H      -4.205040      3.133481      7.062198
  H      -3.244069      5.912100      6.166230
  H      -4.498069      5.645877      7.423201
  H      -8.816495      3.545113      3.509059
  H      -8.562251      6.223331     -0.201389
  H      -6.837080      7.770016     -1.144419
  H      -4.682791      8.113948      0.051873
  H      -4.209146      6.917077      2.166123
  H      -2.380322     -1.481517      5.355324
  H      -0.841498     -2.070705      4.705164
  H      -3.230071     -2.445080      3.428163
  H      -1.668268     -2.351582      2.562987
  H      -6.730345      2.941969      1.258183
  H      -3.959297      3.353706     -2.351634
  H      -1.734962      2.403060     -2.997753
  H      -0.552296      0.848861     -1.452719
  H      -1.542983      0.228313      0.713418
  H      -4.832013     -0.259194      5.843708
  H      -3.924259     -1.294854      6.962742
  H      -5.921218     -0.645347      8.033783
  H      -4.599344      0.223388      8.874150
  H      -6.948480      5.758778      8.137896
  H     -10.928001      5.687858      5.908053
  H     -12.278523      3.932030      4.739738
  H     -11.437965      1.589706      4.632586
  H      -9.269662      0.979133      5.647374
  N      -1.742296      2.484151      3.462127
  N      -1.466422      3.132522      2.391626
  H      -1.852599      4.069941      2.238701
  H      -0.840100      2.736324      1.686576
99
Coordinates from ORCA-job orca E -6706.970038356197
  N      -2.515221      3.405186      5.863195
  Mo     -2.354584      1.603349      4.956304
  N      -3.059639      0.602416      6.577168
  C      -2.046175      0.407214      7.612166
  C      -1.046085      1.547380      7.618195
  N      -0.529058      1.835999      6.236818
  C      -0.075398      3.263331      6.168702
  C      -1.271922      4.157872      5.742029
  C       0.540426      0.854533      5.856067
  C       0.211532      0.289417      4.469445
  N      -1.198021      0.000520      4.467478
  H      -1.136456      4.455124      4.694115
  H      -1.285342      5.078692      6.344848
  H       0.746488      3.342230      5.446749
  H       0.318601      3.542128      7.158427
  H       0.830136     -0.601035      4.267206
  H       0.442840      1.048974      3.698613
  H       0.516373      0.034216      6.586150
  H       1.527888      1.335622      5.912160
  H      -2.480831      0.341506      8.625364
  H      -1.530884     -0.561806      7.438369
  H      -1.544194      2.455708      7.969965
  H      -0.194909      1.339780      8.286271
  C      -3.395494      3.850552      6.927225
  C      -4.019761      5.204515      6.579700
  O      -5.055477      5.077211      5.580175
  C      -4.729639      5.261012      4.290237
  O      -3.610322      5.506444      3.867841
  C      -5.967637      5.154438      3.428170
  N      -6.915550      4.340198      3.871374
  C      -8.037307      4.229638      3.116806
  N      -8.303570      4.859020      1.986750
  C      -7.340607      5.704588      1.518094
  C      -7.576989      6.400447      0.307186
  C      -6.621707      7.258303     -0.191561
  C      -5.402151      7.457184      0.499895
  C      -5.139280      6.793967      1.679988
  C      -6.098785      5.895307      2.215917
  C      -1.684111     -1.350216      4.531037
  C      -2.403824     -1.813399      3.231109
  O      -2.867310     -0.752587      2.326403
  C      -3.553666      0.282148      2.759816
  O      -3.904819      0.429778      3.957752
  C      -4.031886      1.194246      1.667521
  N      -5.196258      1.763427      1.948646
  C      -5.745845      2.546002      0.988866
  N      -5.223956      2.851553     -0.184912
  C      -4.009042      2.309058     -0.473165
  C      -3.397875      2.636845     -1.710304
  C      -2.171227      2.104513     -2.037371
  C      -1.508153      1.230026     -1.141880
  C      -2.074504      0.891134      0.069154
  C      -3.341661      1.418210      0.437246
  C      -4.228479     -0.237165      6.774134
  C      -5.132553      0.146352      7.946372
  O      -5.786781      1.426363      7.776354
  C      -6.910059      1.410026      7.021194
  O      -7.313029      0.417174      6.440035
  C      -7.592384      2.759212      7.011672
  N      -6.954106      3.738187      7.637739
  C      -7.532583      4.962411      7.630790
  N      -8.674317      5.304174      7.068309
  C      -9.356915      4.310053      6.433052
  C     -10.592946      4.631888      5.819287
  C     -11.317833      3.655726      5.172379
  C     -10.832120      2.327930      5.114720
  C      -9.628310      1.982292      5.695147
  C      -8.854651      2.963622      6.370456
  H      -2.877258      3.991852      7.899322
  H      -4.197396      3.118395      7.081577
  H      -3.267738      5.922459      6.225360
  H      -4.530041      5.607041      7.463441
  H      -8.796006      3.538429      3.494283
  H      -8.526873      6.233003     -0.201491
  H      -6.803950      7.794873     -1.124006
  H      -4.662616      8.148643      0.093041
  H      -4.199476      6.947005      2.206286
  H      -2.386625     -1.467998      5.368485
  H      -0.860951     -2.067452      4.697941
  H      -3.275796     -2.440173      3.464043
  H      -1.725670     -2.372355      2.576811
  H      -6.732500      2.954234      1.217065
  H      -3.932491      3.313704     -2.377434
  H      -1.702974      2.354582     -2.990483
  H      -0.536173      0.817493     -1.416742
  H      -1.551100      0.217101      0.744103
  H      -4.831072     -0.253575      5.860043
  H      -3.914845     -1.283484      6.977086
  H      -5.897428     -0.633403      8.070057
  H      -4.572993      0.256206      8.883653
  H      -6.983027      5.751227      8.153849
  H     -10.938301      5.664239      5.882985
  H     -12.269760      3.903506      4.700272
  H     -11.417815      1.564901      4.599701
  H      -9.258765      0.962248      5.638471
  N      -1.752165      2.494262      3.456033
  N      -1.478915      3.146390      2.386656
  H      -1.852313      4.090375      2.244074
  H      -0.881763      2.737413      1.663728
99
Coordinates from ORCA-job orca E -6706.971060876341
  N      -2.527043      3.410464      5.864737
  Mo     -2.365561      1.612270      4.951387
  N      -3.052454      0.611102      6.579721
  C      -2.029039      0.424484      7.606742
  C      -1.025226      1.562548      7.595297
  N      -0.528324      1.844998      6.206195
  C      -0.076687      3.269600      6.115762
  C      -1.287779      4.170411      5.741191
  C       0.536840      0.863235      5.814701
  C       0.191648      0.288813      4.435508
  N      -1.219278      0.006015      4.446620
  H      -1.173242      4.502533      4.700980
  H      -1.295845      5.071830      6.372763
  H       0.706594      3.341849      5.351363
  H       0.370100      3.550756      7.082511
  H       0.803663     -0.607362      4.238310
  H       0.421925      1.039148      3.655718
  H       0.526066      0.047408      6.550040
  H       1.523645      1.347656      5.852497
  H      -2.454694      0.368801      8.624438
  H      -1.516216     -0.546803      7.438089
  H      -1.511881      2.474248      7.954019
  H      -0.165072      1.350673      8.250493
  C      -3.395382      3.841640      6.944553
  C      -4.033107      5.194729      6.618976
  O      -5.059767      5.073028      5.609462
  C      -4.726818      5.285762      4.326043
  O      -3.607123      5.552817      3.918004
  C      -5.954989      5.172622      3.449844
  N      -6.902002      4.350231      3.879858
  C      -8.015982      4.236484      3.114789
  N      -8.276031      4.869444      1.985281
  C      -7.314102      5.722884      1.529237
  C      -7.544414      6.422172      0.319092
  C      -6.590964      7.288901     -0.167427
  C      -5.379588      7.493653      0.536468
  C      -5.122514      6.827032      1.715976
  C      -6.079766      5.918273      2.239321
  C      -1.706504     -1.343868      4.533071
  C      -2.452684     -1.819139      3.252382
  O      -2.920248     -0.767542      2.338921
  C      -3.591751      0.279221      2.765706
  O      -3.931595      0.445890      3.963688
  C      -4.058631      1.187429      1.665514
  N      -5.222823      1.763419      1.932585
  C      -5.758870      2.543704      0.962837
  N      -5.225727      2.836299     -0.209405
  C      -4.010770      2.286050     -0.482861
  C      -3.386403      2.601004     -1.716839
  C      -2.156627      2.064798     -2.025452
  C      -1.503399      1.198990     -1.114263
  C      -2.083786      0.870979      0.093146
  C      -3.355100      1.401344      0.441336
  C      -4.218283     -0.228380      6.793319
  C      -5.112075      0.163165      7.970632
  O      -5.775546      1.436159      7.787225
  C      -6.911022      1.399566      7.051208
  O      -7.322640      0.391134      6.503846
  C      -7.596908      2.746785      7.021160
  N      -6.972123      3.731682      7.651680
  C      -7.555487      4.953246      7.630357
  N      -8.690671      5.287289      7.049982
  C      -9.358551      4.287548      6.408147
  C     -10.586242      4.601310      5.773674
  C     -11.295682      3.619683      5.118034
  C     -10.801854      2.294389      5.071189
  C      -9.606131      1.956345      5.672380
  C      -8.849132      2.943207      6.358439
  H      -2.863881      3.978366      7.909882
  H      -4.191782      3.104436      7.103287
  H      -3.288681      5.931047      6.286958
  H      -4.557039      5.569522      7.507060
  H      -8.774028      3.538821      3.481259
  H      -8.488553      6.250090     -0.198663
  H      -6.768555      7.828252     -1.099163
  H      -4.641568      8.192773      0.140070
  H      -4.189376      6.985935      2.251967
  H      -2.392332     -1.452964      5.385173
  H      -0.881107     -2.060598      4.690310
  H      -3.326359     -2.434343      3.508373
  H      -1.790674     -2.393935      2.595286
  H      -6.743749      2.961995      1.180444
  H      -3.912533      3.272666     -2.395867
  H      -1.677893      2.305802     -2.975678
  H      -0.528072      0.784684     -1.374198
  H      -1.567889      0.202996      0.779980
  H      -4.828959     -0.250917      5.884395
  H      -3.902235     -1.273361      6.999433
  H      -5.869849     -0.619743      8.115058
  H      -4.542037      0.290887      8.899365
  H      -7.017190      5.746825      8.157916
  H     -10.937417      5.632218      5.828247
  H     -12.241067      3.861284      4.629858
  H     -11.374808      1.527133      4.548160
  H      -9.230657      0.937944      5.625217
  N      -1.775147      2.505744      3.449785
  N      -1.505534      3.160944      2.381067
  H      -1.868665      4.110038      2.248440
  H      -0.939404      2.740704      1.639750
99
Coordinates from ORCA-job orca E -6706.972018926149
  N      -2.528171      3.416890      5.869593
  Mo     -2.377707      1.624293      4.946759
  N      -3.046573      0.622775      6.581586
  C      -2.014046      0.439954      7.600319
  C      -1.003191      1.572655      7.572824
  N      -0.525432      1.847968      6.177132
  C      -0.070967      3.267764      6.063860
  C      -1.290371      4.179235      5.741916
  C       0.530568      0.862452      5.773125
  C       0.166745      0.285518      4.399410
  N      -1.246116      0.012741      4.424007
  H      -1.195780      4.544318      4.710569
  H      -1.288396      5.061145      6.400551
  H       0.671074      3.328466      5.258542
  H       0.427652      3.551115      7.004496
  H       0.769604     -0.616714      4.201697
  H       0.396607      1.030201      3.614373
  H       0.528898      0.048608      6.510676
  H       1.518894      1.345031      5.794526
  H      -2.430692      0.393254      8.622265
  H      -1.506621     -0.534744      7.434790
  H      -1.475347      2.488998      7.938862
  H      -0.135765      1.353065      8.215982
  C      -3.385029      3.841550      6.961242
  C      -4.033044      5.192258      6.647117
  O      -5.052379      5.069866      5.630377
  C      -4.716305      5.300148      4.351247
  O      -3.600547      5.596394      3.952484
  C      -5.938823      5.179670      3.467761
  N      -6.879925      4.345509      3.887590
  C      -7.988776      4.225710      3.116407
  N      -8.249344      4.863017      1.989433
  C      -7.293170      5.728054      1.543138
  C      -7.524358      6.431924      0.335795
  C      -6.577164      7.310839     -0.141015
  C      -5.371631      7.523499      0.570536
  C      -5.113738      6.852433      1.747380
  C      -6.064278      5.930904      2.260649
  C      -1.736800     -1.335205      4.532892
  C      -2.511090     -1.819606      3.272289
  O      -2.977924     -0.774930      2.351095
  C      -3.631353      0.285636      2.771199
  O      -3.962109      0.471167      3.968314
  C      -4.081379      1.191227      1.661608
  N      -5.244076      1.777772      1.910624
  C      -5.760283      2.557726      0.929228
  N      -5.210142      2.837114     -0.238390
  C      -3.996366      2.275414     -0.492654
  C      -3.353014      2.577226     -1.720232
  C      -2.121395      2.032937     -2.006713
  C      -1.485220      1.171698     -1.079156
  C      -2.085315      0.854859      0.121645
  C      -3.359481      1.393115      0.446307
  C      -4.210646     -0.215576      6.810373
  C      -5.094865      0.184157      7.992128
  O      -5.770859      1.448169      7.795115
  C      -6.922851      1.388117      7.086502
  O      -7.342853      0.364108      6.575635
  C      -7.609187      2.734311      7.029595
  N      -6.993079      3.726654      7.656846
  C      -7.578436      4.946622      7.617807
  N      -8.709319      5.272214      7.024230
  C      -9.367804      4.265124      6.384234
  C     -10.590243      4.569966      5.735287
  C     -11.289171      3.581424      5.078783
  C     -10.789035      2.258078      5.044264
  C      -9.598658      1.928334      5.660511
  C      -8.853614      2.922026      6.349866
  H      -2.841203      3.978488      7.919600
  H      -4.177359      3.101915      7.127813
  H      -3.294637      5.940744      6.329388
  H      -4.568104      5.548923      7.536353
  H      -8.742027      3.518473      3.474108
  H      -8.464220      6.253380     -0.187530
  H      -6.755341      7.853790     -1.070540
  H      -4.638709      8.232604      0.182480
  H      -4.185391      7.018245      2.289638
  H      -2.405598     -1.434629      5.399325
  H      -0.910595     -2.053078      4.679634
  H      -3.388460     -2.419012      3.551616
  H      -1.867678     -2.412768      2.613090
  H      -6.742784      2.988379      1.132023
  H      -3.865493      3.246706     -2.411753
  H      -1.627714      2.264574     -2.951594
  H      -0.507489      0.752187     -1.321095
  H      -1.582123      0.190193      0.821179
  H      -4.828434     -0.244004      5.906136
  H      -3.892508     -1.259190      7.019944
  H      -5.843845     -0.602663      8.158169
  H      -4.514491      0.331551      8.911572
  H      -7.045646      5.746687      8.141280
  H     -10.945499      5.599998      5.778846
  H     -12.230292      3.816211      4.579184
  H     -11.352947      1.485590      4.519094
  H      -9.219083      0.911036      5.624568
  N      -1.797992      2.521247      3.444490
  N      -1.527282      3.178648      2.377115
  H      -1.877892      4.133737      2.253594
  H      -0.993668      2.746705      1.618410
99
Coordinates from ORCA-job orca E -6706.972952626026
  N      -2.532983      3.419623      5.877717
  Mo     -2.396075      1.634976      4.943334
  N      -3.039206      0.631730      6.585884
  C      -1.995468      0.452115      7.593798
  C      -0.979581      1.580683      7.548768
  N      -0.524895      1.850552      6.146093
  C      -0.070667      3.266550      6.010497
  C      -1.297898      4.186399      5.744351
  C       0.522210      0.863829      5.725918
  C       0.137506      0.289242      4.356759
  N      -1.276100      0.021643      4.399009
  H      -1.225526      4.584428      4.723252
  H      -1.284639      5.047872      6.429476
  H       0.626880      3.316829      5.165806
  H       0.477895      3.552105      6.922377
  H       0.733591     -0.615611      4.150998
  H       0.360834      1.033643      3.569772
  H       0.531574      0.049507      6.462833
  H       1.511448      1.345245      5.731052
  H      -2.400710      0.411942      8.620641
  H      -1.492799     -0.525119      7.428466
  H      -1.438175      2.500521      7.923352
  H      -0.103731      1.354861      8.178448
  C      -3.380706      3.836371      6.979404
  C      -4.037540      5.185838      6.678283
  O      -5.050645      5.066692      5.655001
  C      -4.710074      5.317228      4.381146
  O      -3.594621      5.627778      3.992230
  C      -5.924666      5.190261      3.487147
  N      -6.859816      4.342808      3.892992
  C      -7.961439      4.217375      3.112635
  N      -8.221243      4.861959      1.989750
  C      -7.271512      5.741255      1.557780
  C      -7.502444      6.452726      0.354882
  C      -6.561792      7.345833     -0.108255
  C      -5.363554      7.565415      0.613338
  C      -5.105912      6.886928      1.786005
  C      -6.049405      5.950376      2.285136
  C      -1.763968     -1.326181      4.532212
  C      -2.568971     -1.822414      3.295439
  O      -3.038297     -0.785787      2.367877
  C      -3.674752      0.287322      2.781772
  O      -3.997533      0.490966      3.977561
  C      -4.109617      1.187379      1.661409
  N      -5.272708      1.780443      1.890348
  C      -5.770637      2.556953      0.896200
  N      -5.201852      2.825465     -0.265056
  C      -3.987036      2.256475     -0.497857
  C      -3.323642      2.547539     -1.717410
  C      -2.089028      1.998024     -1.980355
  C      -1.469887      1.141886     -1.036565
  C      -2.090520      0.834137      0.156224
  C      -3.368461      1.377661      0.456042
  C      -4.201431     -0.204522      6.833036
  C      -5.074664      0.208470      8.018021
  O      -5.757266      1.465599      7.802685
  C      -6.921276      1.384697      7.115861
  O      -7.352290      0.344915      6.647946
  C      -7.610388      2.728141      7.033172
  N      -7.006200      3.729513      7.657582
  C      -7.596343      4.946355      7.598933
  N      -8.723056      5.260049      6.991058
  C      -9.368403      4.243770      6.352163
  C     -10.584729      4.535963      5.686031
  C     -11.268307      3.538490      5.026826
  C     -10.758043      2.218692      5.005842
  C      -9.574026      1.900823      5.640276
  C      -8.845943      2.903584      6.334575
  H      -2.826293      3.971872      7.931863
  H      -4.169024      3.093492      7.150624
  H      -3.303954      5.944352      6.373629
  H      -4.580581      5.525617      7.569515
  H      -8.709393      3.498615      3.457939
  H      -8.436898      6.268367     -0.176069
  H      -6.739677      7.894724     -1.034337
  H      -4.635976      8.286043      0.236603
  H      -4.183410      7.058669      2.336137
  H      -2.412260     -1.418369      5.414532
  H      -0.933816     -2.041846      4.665914
  H      -3.447824     -2.405979      3.601728
  H      -1.945471     -2.433731      2.633784
  H      -6.753238      2.995095      1.082140
  H      -3.822945      3.213934     -2.421454
  H      -1.579588      2.221929     -2.918706
  H      -0.488932      0.719272     -1.259335
  H      -1.599800      0.173834      0.868725
  H      -4.827366     -0.239977      5.934367
  H      -3.881706     -1.246456      7.048076
  H      -5.818245     -0.578406      8.205447
  H      -4.484780      0.374713      8.928242
  H      -7.072249      5.754209      8.119204
  H     -10.947095      5.563956      5.717477
  H     -12.204353      3.763603      4.513434
  H     -11.309018      1.439488      4.476857
  H      -9.187075      0.885900      5.616265
  N      -1.833248      2.537064      3.438549
  N      -1.562757      3.195707      2.371857
  H      -1.904303      4.154940      2.256206
  H      -1.062281      2.753854      1.596236
99
Coordinates from ORCA-job orca E -6706.973856479279
  N      -2.533377      3.421543      5.889153
  Mo     -2.410678      1.646426      4.937206
  N      -3.034558      0.644992      6.588492
  C      -1.978292      0.461491      7.582361
  C      -0.951334      1.580592      7.519104
  N      -0.521445      1.845251      6.108068
  C      -0.063290      3.256382      5.953786
  C      -1.298967      4.190360      5.750635
  C       0.513867      0.854599      5.669626
  C       0.105345      0.284299      4.305905
  N      -1.309794      0.025653      4.366151
  H      -1.250625      4.625622      4.739410
  H      -1.271263      5.029222      6.466636
  H       0.588900      3.296380      5.067871
  H       0.539473      3.537749      6.837895
  H       0.692109     -0.623405      4.092118
  H       0.323524      1.027087      3.517796
  H       0.531823      0.040168      6.405402
  H       1.505472      1.331685      5.658206
  H      -2.370026      0.428899      8.615217
  H      -1.486187     -0.520417      7.414459
  H      -1.391646      2.505500      7.904849
  H      -0.065811      1.344158      8.132642
  C      -3.371506      3.831697      6.999694
  C      -4.037601      5.177830      6.706774
  O      -5.043184      5.057809      5.676067
  C      -4.700970      5.326772      4.405923
  O      -3.590189      5.662567      4.025842
  C      -5.909951      5.188640      3.506493
  N      -6.832687      4.322616      3.900923
  C      -7.929199      4.186737      3.116220
  N      -8.195619      4.837704      1.999408
  C      -7.258615      5.735681      1.578813
  C      -7.497058      6.453731      0.382271
  C      -6.569487      7.365651     -0.069923
  C      -5.377651      7.598132      0.657171
  C      -5.112875      6.913519      1.823846
  C      -6.042405      5.957282      2.311352
  C      -1.800551     -1.319913      4.525840
  C      -2.643872     -1.824808      3.314136
  O      -3.108704     -0.793589      2.380596
  C      -3.720034      0.300052      2.786424
  O      -4.035785      0.527274      3.978812
  C      -4.127787      1.199800      1.653890
  N      -5.292049      1.799766      1.849797
  C      -5.764313      2.569154      0.833994
  N      -5.170179      2.821264     -0.319022
  C      -3.952821      2.245344     -0.516685
  C      -3.263156      2.515327     -1.729232
  C      -2.024513      1.957064     -1.957550
  C      -1.425484      1.117430     -0.980896
  C      -2.072928      0.829083      0.205561
  C      -3.358492      1.376660      0.464704
  C      -4.198134     -0.184296      6.855644
  C      -5.057470      0.243966      8.045036
  O      -5.749310      1.491700      7.812342
  C      -6.928644      1.386857      7.154254
  O      -7.369647      0.331466      6.727424
  C      -7.620068      2.727720      7.043706
  N      -7.025407      3.738887      7.660633
  C      -7.618909      4.953649      7.580557
  N      -8.742180      5.255935      6.960124
  C      -9.377272      4.229618      6.327393
  C     -10.588782      4.509734      5.646647
  C     -11.259994      3.502781      4.989980
  C     -10.741287      2.185439      4.985485
  C      -9.562356      1.878869      5.635729
  C      -8.848166      2.891146      6.329297
  H      -2.808732      3.968289      7.946689
  H      -4.155383      3.085190      7.175143
  H      -3.309946      5.945332      6.414560
  H      -4.589853      5.502158      7.597030
  H      -8.666411      3.452292      3.451132
  H      -8.426601      6.258968     -0.152783
  H      -6.752964      7.919507     -0.991222
  H      -4.660650      8.333811      0.289642
  H      -4.195492      7.095776      2.378420
  H      -2.426875     -1.402068      5.427361
  H      -0.968628     -2.037040      4.643905
  H      -3.529964     -2.386104      3.649639
  H      -2.045422     -2.460117      2.647307
  H      -6.747865      3.014367      0.991349
  H      -3.746511      3.170789     -2.457864
  H      -1.496678      2.160538     -2.894611
  H      -0.440019      0.689521     -1.175192
  H      -1.598625      0.178059      0.940770
  H      -4.833217     -0.225780      5.963040
  H      -3.879963     -1.225093      7.076224
  H      -5.794017     -0.543383      8.257215
  H      -4.455806      0.431722      8.944205
  H      -7.100503      5.770202      8.092817
  H     -10.956842      5.536578      5.663771
  H     -12.191967      3.718685      4.464794
  H     -11.281651      1.399107      4.456882
  H      -9.169563      0.865459      5.625877
  N      -1.862104      2.565760      3.439865
  N      -1.590263      3.235661      2.378763
  H      -1.923028      4.191593      2.274163
  H      -1.125099      2.797540      1.585990
99
Coordinates from ORCA-job orca E -6706.974652711407
  N      -2.528443      3.416608      5.895156
  Mo     -2.425465      1.651067      4.927472
  N      -3.034768      0.656455      6.588551
  C      -1.970554      0.465189      7.571299
  C      -0.933585      1.573990      7.494394
  N      -0.524137      1.833621      6.079136
  C      -0.064845      3.240387      5.910074
  C      -1.292010      4.183975      5.760556
  C       0.501214      0.839440      5.627021
  C       0.075474      0.278539      4.265256
  N      -1.340563      0.026209      4.334756
  H      -1.255827      4.650749      4.768656
  H      -1.247212      4.997443      6.501557
  H       0.541661      3.272523      5.003338
  H       0.572485      3.517665      6.757973
  H       0.656452     -0.629807      4.040855
  H       0.288122      1.024063      3.480329
  H       0.524862      0.022516      6.358728
  H       1.494229      1.311878      5.606404
  H      -2.352831      0.439657      8.607485
  H      -1.489388     -0.521987      7.401757
  H      -1.356562      2.503735      7.887874
  H      -0.042967      1.326612      8.094957
  C      -3.362719      3.821771      7.007960
  C      -4.039778      5.164806      6.720502
  O      -5.039045      5.041885      5.684234
  C      -4.700058      5.324691      4.417312
  O      -3.596853      5.682761      4.042834
  C      -5.906240      5.176507      3.516435
  N      -6.816351      4.295120      3.903871
  C      -7.909250      4.148404      3.116725
  N      -8.183891      4.802854      2.004523
  C      -7.259790      5.716655      1.590901
  C      -7.506605      6.437439      0.397998
  C      -6.591733      7.364731     -0.047680
  C      -5.405482      7.610806      0.683320
  C      -5.132942      6.923888      1.846659
  C      -6.048417      5.951212      2.326618
  C      -1.826033     -1.316517      4.509383
  C      -2.693777     -1.819360      3.321190
  O      -3.158260     -0.790978      2.389401
  C      -3.750462      0.310418      2.786394
  O      -4.061265      0.549454      3.968111
  C      -4.130302      1.211328      1.644267
  N      -5.294635      1.816271      1.812757
  C      -5.740155      2.587549      0.787739
  N      -5.120844      2.833880     -0.349246
  C      -3.903677      2.250628     -0.519627
  C      -3.192661      2.506583     -1.721406
  C      -1.956153      1.935659     -1.928675
  C      -1.378228      1.103349     -0.934394
  C      -2.047227      0.828308      0.243639
  C      -3.334673      1.383448      0.475423
  C      -4.202476     -0.161991      6.872357
  C      -5.049900      0.282407      8.063327
  O      -5.747413      1.522411      7.818220
  C      -6.936140      1.403548      7.189247
  O      -7.381758      0.342215      6.793309
  C      -7.627927      2.741757      7.058130
  N      -7.041197      3.760597      7.669739
  C      -7.637069      4.972945      7.575494
  N      -8.757943      5.264647      6.948980
  C      -9.384392      4.229867      6.320735
  C     -10.592415      4.498265      5.633173
  C     -11.252056      3.482804      4.978349
  C     -10.724829      2.168626      4.982750
  C      -9.550054      1.872981      5.641617
  C      -8.849051      2.893952      6.334012
  H      -2.796167      3.960960      7.951257
  H      -4.141376      3.069672      7.185286
  H      -3.318253      5.941648      6.437964
  H      -4.601704      5.475600      7.609586
  H      -8.635339      3.400440      3.444527
  H      -8.431851      6.231732     -0.140053
  H      -6.781124      7.920337     -0.966629
  H      -4.698911      8.358644      0.321418
  H      -4.219961      7.116842      2.404307
  H      -2.432977     -1.396911      5.418335
  H      -0.992666     -2.032771      4.614327
  H      -3.578077     -2.361534      3.674412
  H      -2.115318     -2.467410      2.656679
  H      -6.723091      3.039026      0.921459
  H      -3.660053      3.157577     -2.461914
  H      -1.416024      2.120917     -2.864597
  H      -0.393145      0.666674     -1.110712
  H      -1.590979      0.177795      0.987367
  H      -4.843348     -0.207442      5.984159
  H      -3.888727     -1.202273      7.098842
  H      -5.780741     -0.502138      8.294556
  H      -4.440187      0.486581      8.952012
  H      -7.121833      5.796621      8.080125
  H     -10.966450      5.523150      5.642256
  H     -12.180913      3.689760      4.447466
  H     -11.255224      1.376057      4.454208
  H      -9.151438      0.861652      5.640508
  N      -1.885334      2.586972      3.436827
  N      -1.606074      3.266119      2.381525
  H      -1.923521      4.239678      2.293271
  H      -1.187121      2.818213      1.564403
99
Coordinates from ORCA-job orca E -6706.973738469127
  N      -2.511211      3.424595      5.907641
  Mo     -2.440799      1.662270      4.939884
  N      -3.007179      0.682487      6.622729
  C      -1.919652      0.496206      7.583635
  C      -0.875038      1.599872      7.469624
  N      -0.502156      1.844529      6.039191
  C      -0.042834      3.248687      5.841107
  C      -1.276363      4.193141      5.749011
  C       0.504516      0.843060      5.565540
  C       0.038461      0.279493      4.212496
  N      -1.377224      0.030593      4.317823
  H      -1.267577      4.681079      4.768141
  H      -1.211344      4.986933      6.502608
  H       0.519554      3.274859      4.903983
  H       0.636715      3.527658      6.655716
  H       0.607703     -0.632961      3.973028
  H       0.234655      1.025071      3.419050
  H       0.540201      0.027006      6.302612
  H       1.500718      1.310779      5.518381
  H      -2.277744      0.481263      8.630908
  H      -1.449107     -0.495976      7.411510
  H      -1.279850      2.535804      7.868091
  H       0.030331      1.351945      8.050616
  C      -3.334870      3.823707      7.035541
  C      -4.030317      5.167571      6.762661
  O      -5.023736      5.042013      5.721757
  C      -4.680965      5.349050      4.456545
  O      -3.579106      5.727421      4.093925
  C      -5.882854      5.208119      3.541867
  N      -6.792999      4.309364      3.903809
  C      -7.881865      4.172515      3.102144
  N      -8.151965      4.851648      1.997639
  C      -7.227495      5.784454      1.610702
  C      -7.468763      6.534036      0.428144
  C      -6.552996      7.481740      0.011829
  C      -5.372102      7.720752      0.762850
  C      -5.105386      7.005570      1.916286
  C      -6.021118      6.011589      2.365301
  C      -1.860423     -1.312453      4.528984
  C      -2.781563     -1.834668      3.374134
  O      -3.253431     -0.817748      2.430358
  C      -3.815851      0.302154      2.828215
  O      -4.107538      0.569321      4.024899
  C      -4.186021      1.192590      1.674244
  N      -5.347630      1.806589      1.840994
  C      -5.782938      2.572595      0.810764
  N      -5.157120      2.805073     -0.327459
  C      -3.944141      2.211944     -0.495662
  C      -3.229914      2.456760     -1.695464
  C      -1.998574      1.878753     -1.900971
  C      -1.428988      1.050794     -0.905683
  C      -2.101091      0.786041      0.272536
  C      -3.384439      1.350495      0.504078
  C      -4.165259     -0.142074      6.933733
  C      -5.010847      0.312606      8.120774
  O      -5.737748      1.532447      7.847061
  C      -6.926905      1.378754      7.229555
  O      -7.358625      0.300253      6.867143
  C      -7.628224      2.707050      7.054352
  N      -7.065263      3.742003      7.674152
  C      -7.670158      4.949458      7.537387
  N      -8.781213      5.220929      6.862464
  C      -9.382878      4.169136      6.221481
  C     -10.576897      4.416590      5.473461
  C     -11.207470      3.385396      4.795091
  C     -10.664995      2.076053      4.835906
  C      -9.504308      1.800008      5.556516
  C      -8.833565      2.837106      6.274887
  H      -2.756773      3.959401      7.974093
  H      -4.106677      3.066054      7.221427
  H      -3.315464      5.960773      6.487620
  H      -4.604275      5.462729      7.656834
  H      -8.606391      3.407920      3.406292
  H      -8.390374      6.333726     -0.125607
  H      -6.737823      8.059511     -0.899068
  H      -4.665396      8.485103      0.424578
  H      -4.196739      7.193075      2.489856
  H      -2.436950     -1.382199      5.466673
  H      -1.021337     -2.024814      4.613548
  H      -3.667976     -2.356633      3.772032
  H      -2.235240     -2.507785      2.701020
  H      -6.763191      3.031390      0.939944
  H      -3.690626      3.106352     -2.434312
  H      -1.458772      2.055120     -2.835472
  H      -0.446893      0.610322     -1.079453
  H      -1.650795      0.139429      1.017154
  H      -4.812404     -0.210724      6.051234
  H      -3.837922     -1.174658      7.176126
  H      -5.724539     -0.483745      8.378433
  H      -4.395756      0.551169      8.997420
  H      -7.170705      5.786982      8.045406
  H     -10.962535      5.438586      5.452383
  H     -12.124572      3.576943      4.215197
  H     -11.171500      1.271719      4.285247
  H      -9.094033      0.792424      5.582958
  N      -1.940635      2.590228      3.446323
  N      -1.675828      3.263223      2.389023
  H      -1.992358      4.248039      2.324891
  H      -1.304456      2.799742      1.539314
99
Coordinates from ORCA-job orca E -6706.974087245652
  N      -2.491806      3.434602      5.906821
  Mo     -2.438183      1.679836      4.925822
  N      -3.009969      0.701240      6.609596
  C      -1.923856      0.512052      7.570773
  C      -0.870776      1.606281      7.449826
  N      -0.501075      1.840456      6.016030
  C      -0.026337      3.239988      5.809646
  C      -1.255022      4.197122      5.753378
  C       0.493606      0.826048      5.541469
  C       0.024146      0.267278      4.189047
  N      -1.394386      0.032097      4.296385
  H      -1.255848      4.710193      4.780173
  H      -1.175310      4.973481      6.528571
  H       0.515252      3.259341      4.852523
  H       0.685424      3.512166      6.611983
  H       0.586372     -0.652638      3.948509
  H       0.227262      1.011476      3.393244
  H       0.518116      0.011577      6.279484
  H       1.493537      1.280972      5.494531
  H      -2.281464      0.503605      8.617782
  H      -1.459854     -0.484647      7.401918
  H      -1.265307      2.548187      7.845413
  H       0.033140      1.352787      8.026481
  C      -3.309942      3.831998      7.033900
  C      -4.002564      5.170473      6.760678
  O      -4.997409      5.044282      5.723997
  C      -4.659677      5.349613      4.464131
  O      -3.561642      5.740325      4.098113
  C      -5.858765      5.187997      3.557523
  N      -6.746571      4.276764      3.925255
  C      -7.835857      4.121064      3.135394
  N      -8.128399      4.796410      2.040627
  C      -7.227941      5.742444      1.648646
  C      -7.493511      6.487273      0.475058
  C      -6.601439      7.446359      0.051403
  C      -5.420318      7.701684      0.785875
  C      -5.129828      6.992010      1.930626
  C      -6.021271      5.986989      2.387331
  C      -1.887596     -1.309126      4.528835
  C      -2.828807     -1.842259      3.391460
  O      -3.283349     -0.830935      2.432031
  C      -3.825460      0.314531      2.817840
  O      -4.123698      0.610182      4.014728
  C      -4.168894      1.203806      1.653311
  N      -5.331424      1.828776      1.801360
  C      -5.746644      2.595731      0.764185
  N      -5.099315      2.818686     -0.365559
  C      -3.884062      2.215628     -0.513691
  C      -3.144124      2.465275     -1.690211
  C      -1.905358      1.891695     -1.863260
  C      -1.356024      1.057850     -0.863985
  C      -2.053662      0.786651      0.290972
  C      -3.343022      1.354332      0.496446
  C      -4.167369     -0.125986      6.910873
  C      -5.023905      0.327468      8.087757
  O      -5.768985      1.535479      7.796143
  C      -6.985765      1.365876      7.209783
  O      -7.450189      0.278259      6.898880
  C      -7.672402      2.695708      7.008732
  N      -7.085213      3.726010      7.577676
  C      -7.669409      4.938313      7.425583
  N      -8.783114      5.218383      6.785446
  C      -9.409260      4.171381      6.198565
  C     -10.607275      4.428900      5.498093
  C     -11.262050      3.403952      4.879367
  C     -10.738582      2.091299      4.929168
  C      -9.573797      1.805343      5.601610
  C      -8.881581      2.835408      6.266714
  H      -2.728941      3.968062      7.970904
  H      -4.080727      3.077407      7.217691
  H      -3.292492      5.956407      6.485814
  H      -4.568604      5.463996      7.649535
  H      -8.542226      3.346983      3.446644
  H      -8.414475      6.274119     -0.066469
  H      -6.805052      8.020362     -0.852872
  H      -4.732321      8.474313      0.441594
  H      -4.220280      7.191677      2.490271
  H      -2.453563     -1.362867      5.477355
  H      -1.053872     -2.027829      4.609117
  H      -3.724496     -2.341181      3.809533
  H      -2.301067     -2.544712      2.723855
  H      -6.727911      3.067515      0.882157
  H      -3.588417      3.122344     -2.431795
  H      -1.344490      2.079874     -2.771087
  H      -0.366606      0.624035     -1.010679
  H      -1.615578      0.142241      1.046774
  H      -4.804693     -0.197663      6.022765
  H      -3.839318     -1.157899      7.157342
  H      -5.726026     -0.479116      8.354528
  H      -4.412540      0.586081      8.961152
  H      -7.150974      5.771605      7.894492
  H     -10.977046      5.453291      5.468576
  H     -12.183480      3.603086      4.341048
  H     -11.263673      1.292326      4.425605
  H      -9.179350      0.794707      5.637585
  N      -1.927189      2.617061      3.437284
  N      -1.658063      3.297097      2.384183
  H      -1.973220      4.277832      2.321953
  H      -1.300217      2.834349      1.531693
99
Coordinates from ORCA-job orca E -6706.971113228457
  N      -2.552120      3.423524      5.906595
  Mo     -2.468924      1.676266      4.889140
  N      -3.051656      0.677721      6.557987
  C      -1.973340      0.478035      7.521969
  C      -0.928882      1.574493      7.425677
  N      -0.551849      1.834677      6.003967
  C      -0.091954      3.238537      5.821126
  C      -1.318847      4.200095      5.783651
  C       0.456876      0.836828      5.524812
  C       0.006684      0.299722      4.166804
  N      -1.408333      0.050372      4.255601
  H      -1.311053      4.748112      4.819721
  H      -1.250413      4.962468      6.588871
  H       0.442235      3.276232      4.865250
  H       0.618899      3.494214      6.624238
  H       0.581754     -0.607154      3.919443
  H       0.205118      1.054264      3.388707
  H       0.483498      0.012698      6.244541
  H       1.453176      1.298694      5.494971
  H      -2.337165      0.454877      8.561983
  H      -1.502838     -0.512097      7.345113
  H      -1.331041      2.506329      7.830047
  H      -0.029499      1.314172      8.003400
  C      -3.382389      3.812263      7.031652
  C      -4.061819      5.155431      6.766123
  O      -5.042044      5.028243      5.709730
  C      -4.678459      5.340232      4.453439
  O      -3.573794      5.742025      4.107617
  C      -5.857730      5.149989      3.529690
  N      -6.731825      4.227667      3.897177
  C      -7.800540      4.032886      3.090655
  N      -8.086091      4.677529      1.980136
  C      -7.200612      5.634325      1.587509
  C      -7.461565      6.344661      0.395394
  C      -6.585448      7.312734     -0.032055
  C      -5.425486      7.612199      0.718021
  C      -5.139783      6.937428      1.881921
  C      -6.014918      5.922763      2.343013
  C      -1.879233     -1.290290      4.476134
  C      -2.796560     -1.805641      3.338221
  O      -3.257417     -0.788804      2.393081
  C      -3.814392      0.332474      2.767987
  O      -4.119621      0.604300      3.936020
  C      -4.146837      1.219267      1.601035
  N      -5.317643      1.819514      1.693631
  C      -5.714147      2.565166      0.623096
  N      -5.040616      2.785156     -0.490861
  C      -3.813724      2.205415     -0.578855
  C      -3.039338      2.442838     -1.740052
  C      -1.786834      1.885798     -1.845243
  C      -1.258203      1.081341     -0.795576
  C      -1.990625      0.821547      0.340566
  C      -3.291322      1.369740      0.473708
  C      -4.216831     -0.139888      6.846374
  C      -5.048697      0.301388      8.054312
  O      -5.745053      1.547084      7.822899
  C      -6.954696      1.441922      7.240873
  O      -7.431420      0.385734      6.880414
  C      -7.646828      2.782330      7.124936
  N      -7.077956      3.802378      7.765528
  C      -7.680360      5.004466      7.693515
  N      -8.794391      5.284243      7.074162
  C      -9.399992      4.248726      6.416777
  C     -10.598074      4.502222      5.734094
  C     -11.231224      3.482815      5.039656
  C     -10.687584      2.179982      5.002657
  C      -9.524363      1.898119      5.660635
  C      -8.852438      2.924311      6.393995
  H      -2.811625      3.944076      7.975015
  H      -4.155804      3.055023      7.201476
  H      -3.340333      5.946896      6.509153
  H      -4.639919      5.442504      7.656526
  H      -8.495314      3.253665      3.403625
  H      -8.366312      6.097816     -0.157277
  H      -6.785431      7.859697     -0.951091
  H      -4.750127      8.391902      0.370485
  H      -4.246893      7.173129      2.453939
  H      -2.443181     -1.363876      5.408933
  H      -1.039933     -2.001090      4.553784
  H      -3.678297     -2.309798      3.732248
  H      -2.258647     -2.488650      2.682308
  H      -6.702158      3.021123      0.698358
  H      -3.468423      3.076756     -2.525871
  H      -1.196247      2.064135     -2.738272
  H      -0.258661      0.660554     -0.889615
  H      -1.569939      0.199071      1.140234
  H      -4.866366     -0.172003      5.962089
  H      -3.902746     -1.186497      7.059075
  H      -5.774614     -0.477726      8.296719
  H      -4.425377      0.501850      8.932857
  H      -7.179456      5.827327      8.221272
  H     -10.984966      5.517623      5.773934
  H     -12.151723      3.678498      4.510844
  H     -11.195971      1.384457      4.440552
  H      -9.113080      0.894210      5.630770
  N      -1.943960      2.648563      3.409746
  N      -1.672963      3.351588      2.364525
  H      -1.999148      4.274389      2.285069
  H      -1.308500      2.938983      1.534606
99
Coordinates from ORCA-job orca E -6706.974447235988
  N      -2.522007      3.427483      5.922996
  Mo     -2.473693      1.683780      4.915303
  N      -3.034122      0.691191      6.594356
  C      -1.939932      0.485254      7.540345
  C      -0.882787      1.570608      7.421986
  N      -0.533096      1.820236      5.990018
  C      -0.062477      3.218178      5.788762
  C      -1.282891      4.188417      5.783435
  C       0.457216      0.812213      5.493976
  C      -0.023783      0.280433      4.143383
  N      -1.441463      0.044145      4.254895
  H      -1.291121      4.738588      4.829192
  H      -1.190337      4.938718      6.588461
  H       0.439910      3.242468      4.813942
  H       0.677193      3.473720      6.566336
  H       0.535721     -0.629461      3.883386
  H       0.171068      1.033646      3.365098
  H       0.486893     -0.011082      6.214702
  H       1.457817      1.265522      5.444740
  H      -2.287907      0.470895      8.588320
  H      -1.484363     -0.511046      7.359010
  H      -1.265560      2.509250      7.834734
  H       0.028072      1.301300      7.982024
  C      -3.337966      3.830510      7.041822
  C      -4.015249      5.163915      6.759004
  O      -5.006808      5.042830      5.717914
  C      -4.673927      5.341818      4.462008
  O      -3.581240      5.724689      4.098367
  C      -5.872149      5.170915      3.557308
  N      -6.744955      4.246022      3.923305
  C      -7.826715      4.069759      3.129358
  N      -8.126425      4.735852      2.032658
  C      -7.242664      5.696754      1.642844
  C      -7.519206      6.433202      0.468125
  C      -6.645287      7.407349      0.045179
  C      -5.472330      7.686232      0.782288
  C      -5.171491      6.985165      1.928751
  C      -6.043997      5.964642      2.384866
  C      -1.921852     -1.291907      4.478179
  C      -2.876369     -1.793739      3.356812
  O      -3.333325     -0.772347      2.420375
  C      -3.867488      0.357081      2.807549
  O      -4.163102      0.628215      3.976617
  C      -4.186843      1.257094      1.645979
  N      -5.347639      1.887811      1.744589
  C      -5.721894      2.649413      0.678863
  N      -5.038739      2.857001     -0.433233
  C      -3.823787      2.242868     -0.529992
  C      -3.040290      2.445988     -1.705187
  C      -1.802891      1.838782     -1.827978
  C      -1.298030      1.020117     -0.780035
  C      -2.040305      0.793952      0.369860
  C      -3.326942      1.388603      0.515965
  C      -4.194439     -0.124266      6.914784
  C      -5.001637      0.335755      8.133723
  O      -5.717402      1.562884      7.875210
  C      -6.938757      1.411324      7.315221
  O      -7.412244      0.326142      7.012996
  C      -7.631702      2.742312      7.126064
  N      -7.070394      3.787230      7.723001
  C      -7.669220      4.992185      7.550110
  N      -8.769735      5.252195      6.855491
  C      -9.367925      4.190162      6.239732
  C     -10.547717      4.423507      5.465331
  C     -11.170495      3.379978      4.810025
  C     -10.634676      2.072431      4.901491
  C      -9.488303      1.809985      5.647748
  C      -8.826289      2.860146      6.340203
  H      -2.757288      3.971505      7.975975
  H      -4.113363      3.081821      7.224641
  H      -3.301789      5.935944      6.490280
  H      -4.577670      5.459907      7.638056
  H      -8.518364      3.283734      3.436066
  H      -8.434000      6.201789     -0.074364
  H      -6.857441      7.975211     -0.859805
  H      -4.799313      8.471330      0.439180
  H      -4.269744      7.205791      2.491721
  H      -2.467626     -1.362443      5.425184
  H      -1.084093     -2.010392      4.532705
  H      -3.765160     -2.278347      3.770613
  H      -2.363263     -2.490944      2.688346
  H      -6.700786      3.128251      0.755599
  H      -3.452384      3.088276     -2.492059
  H      -1.205193      1.983618     -2.740084
  H      -0.310890      0.556257     -0.889419
  H      -1.641198      0.155558      1.163163
  H      -4.861702     -0.171922      6.042852
  H      -3.874574     -1.164906      7.138601
  H      -5.716622     -0.447057      8.415608
  H      -4.356963      0.569920      8.993390
  H      -7.171660      5.838334      8.038026
  H     -10.928393      5.444794      5.405143
  H     -12.076504      3.560542      4.208216
  H     -11.134300      1.258680      4.369747
  H      -9.082172      0.802968      5.712246
  N      -1.956372      2.643145      3.431959
  N      -1.684770      3.339424      2.384332
  H      -1.981643      4.334708      2.332189
  H      -1.366985      2.880790      1.522572
99
Coordinates from ORCA-job orca E -6706.972857706847
  N      -2.490913      3.434680      5.912497
  Mo     -2.463658      1.687721      4.914754
  N      -3.001695      0.714965      6.610967
  C      -1.901382      0.526124      7.556832
  C      -0.844881      1.616432      7.413140
  N      -0.501624      1.848449      5.972989
  C      -0.033532      3.247714      5.753556
  C      -1.257101      4.204015      5.753008
  C       0.482500      0.835235      5.478750
  C      -0.014792      0.283901      4.129033
  N      -1.430890      0.043597      4.261861
  H      -1.272709      4.748862      4.801719
  H      -1.162312      4.951511      6.549581
  H       0.466810      3.271702      4.781979
  H       0.701949      3.513979      6.523062
  H       0.543586     -0.633693      3.868304
  H       0.168246      1.035685      3.333131
  H       0.517841      0.014225      6.214087
  H       1.484490      1.289561      5.418149
  H      -2.242954      0.523550      8.610239
  H      -1.444983     -0.474478      7.385593
  H      -1.227690      2.560695      7.814384
  H       0.068927      1.358567      7.973764
  C      -3.310946      3.808196      7.062302
  C      -4.033574      5.157430      6.827349
  O      -5.020747      5.023831      5.782208
  C      -4.668456      5.369590      4.522470
  O      -3.571579      5.803947      4.174026
  C      -5.847068      5.184395      3.585432
  N      -6.718061      4.228899      3.907785
  C      -7.784237      4.052971      3.078023
  N      -8.068291      4.748180      1.983941
  C      -7.183684      5.739255      1.638792
  C      -7.437581      6.508800      0.468410
  C      -6.556209      7.510563      0.094684
  C      -5.397909      7.784427      0.875554
  C      -5.120335      7.051254      2.017715
  C      -6.001865      6.006065      2.423716
  C      -1.908567     -1.299854      4.528706
  C      -2.891381     -1.852854      3.429440
  O      -3.347172     -0.856155      2.452169
  C      -3.867212      0.304295      2.826154
  O      -4.158412      0.619007      4.029124
  C      -4.195728      1.180049      1.647633
  N      -5.364941      1.785688      1.763977
  C      -5.768351      2.532506      0.708547
  N      -5.105606      2.755846     -0.407210
  C      -3.883669      2.171444     -0.523127
  C      -3.131294      2.407712     -1.696025
  C      -1.889689      1.842308     -1.845247
  C      -1.349648      1.030765     -0.824226
  C      -2.060025      0.770943      0.327178
  C      -3.353443      1.327029      0.504557
  C      -4.161759     -0.101545      6.934245
  C      -5.002576      0.369839      8.114513
  O      -5.739181      1.576264      7.812169
  C      -6.950449      1.398984      7.234305
  O      -7.403328      0.308154      6.939244
  C      -7.652369      2.721062      7.021052
  N      -7.094930      3.766070      7.614969
  C      -7.701496      4.969873      7.456543
  N      -8.809120      5.228605      6.786396
  C      -9.405347      4.166845      6.174542
  C     -10.597667      4.401682      5.449444
  C     -11.224914      3.361440      4.814271
  C     -10.677955      2.055236      4.868534
  C      -9.517430      1.791376      5.562796
  C      -8.853350      2.837458      6.247992
  H      -2.724647      3.927963      8.000307
  H      -4.072880      3.033960      7.241432
  H      -3.329441      5.985327      6.566894
  H      -4.620951      5.420918      7.739512
  H      -8.475799      3.242612      3.351742
  H      -8.340404      6.280440     -0.110793
  H      -6.750504      8.103380     -0.806744
  H      -4.718101      8.589183      0.569696
  H      -4.227307      7.262813      2.614007
  H      -2.441528     -1.345444      5.499278
  H      -1.069167     -2.012089      4.590404
  H      -3.786453     -2.326287      3.887649
  H      -2.395146     -2.583946      2.766618
  H      -6.754188      2.984668      0.798807
  H      -3.570313      3.043378     -2.457320
  H      -1.318019      2.015694     -2.756523
  H      -0.358603      0.600962     -0.953461
  H      -1.630532      0.144317      1.098444
  H      -4.811449     -0.174761      6.055193
  H      -3.837462     -1.132056      7.183902
  H      -5.709008     -0.425225      8.393112
  H      -4.384432      0.633413      8.979480
  H      -7.210609      5.815987      7.950151
  H     -10.986431      5.421752      5.418711
  H     -12.142757      3.542445      4.260531
  H     -11.182104      1.244070      4.353608
  H      -9.107581      0.785247      5.604728
  N      -1.988578      2.628937      3.424942
  N      -1.731983      3.309539      2.372328
  H      -2.051763      4.304191      2.328210
  H      -1.412260      2.849043      1.502069
99
Coordinates from ORCA-job orca E -6706.976686960312
  N      -2.506772      3.437541      5.921390
  Mo     -2.476315      1.693388      4.909925
  N      -3.021211      0.707967      6.598458
  C      -1.922744      0.511749      7.543199
  C      -0.865541      1.597628      7.407785
  N      -0.525185      1.837380      5.969503
  C      -0.052167      3.234588      5.755623
  C      -1.268572      4.199683      5.776122
  C       0.458134      0.824248      5.470884
  C      -0.034236      0.287205      4.120139
  N      -1.451085      0.049350      4.244388
  H      -1.283792      4.763721      4.833254
  H      -1.166379      4.934026      6.588870
  H       0.433460      3.259010      4.773768
  H       0.700839      3.490406      6.517463
  H       0.524515     -0.627340      3.855459
  H       0.151990      1.042160      3.333002
  H       0.488674      0.000339      6.197752
  H       1.460450      1.274734      5.416660
  H      -2.264991      0.503609      8.593872
  H      -1.467024     -0.487108      7.367352
  H      -1.244274      2.539509      7.815745
  H       0.048194      1.331329      7.962728
  C      -3.320219      3.835232      7.046893
  C      -3.996830      5.175893      6.778841
  O      -4.987274      5.059930      5.736560
  C      -4.646450      5.367258      4.481597
  O      -3.551443      5.763922      4.121838
  C      -5.835437      5.181624      3.569304
  N      -6.695706      4.242466      3.926862
  C      -7.769949      4.052776      3.124560
  N      -8.073448      4.720515      2.029083
  C      -7.202811      5.698050      1.650102
  C      -7.483609      6.440364      0.479172
  C      -6.620480      7.429835      0.068471
  C      -5.454042      7.718517      0.813334
  C      -5.149869      7.012838      1.956784
  C      -6.012150      5.978535      2.400457
  C      -1.924302     -1.291265      4.506781
  C      -2.909875     -1.828729      3.414177
  O      -3.363834     -0.828255      2.444985
  C      -3.878589      0.326814      2.816417
  O      -4.170693      0.636956      4.004873
  C      -4.192365      1.206302      1.638195
  N      -5.361605      1.817084      1.733668
  C      -5.746561      2.565632      0.670147
  N      -5.065577      2.779844     -0.437915
  C      -3.842901      2.189109     -0.531075
  C      -3.067254      2.423026     -1.686723
  C      -1.821334      1.857924     -1.803164
  C      -1.299402      1.050444     -0.765962
  C      -2.032385      0.794172      0.369213
  C      -3.329969      1.349497      0.512141
  C      -4.177482     -0.116639      6.911758
  C      -5.013199      0.330583      8.109608
  O      -5.750755      1.546821      7.837681
  C      -6.969940      1.388660      7.275058
  O      -7.440392      0.306228      6.980524
  C      -7.659329      2.717348      7.080164
  N      -7.097359      3.750190      7.689513
  C      -7.689408      4.956066      7.539322
  N      -8.785678      5.227825      6.863066
  C      -9.384154      4.178546      6.232389
  C     -10.560022      4.426639      5.483394
  C     -11.182972      3.397332      4.810416
  C     -10.651638      2.089194      4.860328
  C      -9.510322      1.811901      5.585344
  C      -8.848070      2.847863      6.297638
  H      -2.736985      3.966479      7.982556
  H      -4.094653      3.086931      7.225297
  H      -3.281663      5.954411      6.512230
  H      -4.558163      5.466205      7.666772
  H      -8.450877      3.254181      3.424877
  H      -8.392788      6.201634     -0.070334
  H      -6.836014      8.002068     -0.833638
  H      -4.789390      8.514229      0.478942
  H      -4.252457      7.239437      2.525624
  H      -2.448086     -1.345924      5.475334
  H      -1.083906     -2.004071      4.556219
  H      -3.801419     -2.294000      3.866205
  H      -2.419163     -2.557634      2.754975
  H      -6.731353      3.031025      0.748730
  H      -3.490790      3.058988     -2.459938
  H      -1.231379      2.031577     -2.697210
  H      -0.304261      0.623241     -0.868412
  H      -1.616902      0.172561      1.157593
  H      -4.831062     -0.173459      6.033613
  H      -3.848823     -1.153421      7.140809
  H      -5.717288     -0.467755      8.379813
  H      -4.388292      0.575687      8.975036
  H      -7.193480      5.791298      8.042196
  H     -10.937311      5.447331      5.455548
  H     -12.085715      3.589313      4.228897
  H     -11.151150      1.286360      4.311843
  H      -9.109688      0.804448      5.619967
  N      -1.988903      2.656787      3.429043
  N      -1.729588      3.354051      2.383172
  H      -2.050380      4.313115      2.334501
  H      -1.421670      2.906222      1.513951
99
Coordinates from ORCA-job orca E -6706.974395441607
  N      -2.524498      3.428567      5.922830
  Mo     -2.497964      1.697019      4.885069
  N      -3.036850      0.704367      6.572071
  C      -1.933989      0.495484      7.507401
  C      -0.869511      1.571913      7.373371
  N      -0.539053      1.821056      5.937142
  C      -0.069629      3.217920      5.726198
  C      -1.286996      4.195299      5.787391
  C       0.437517      0.810314      5.421972
  C      -0.061956      0.300749      4.072312
  N      -1.477765      0.060477      4.199822
  H      -1.311821      4.795610      4.854997
  H      -1.179000      4.909815      6.628829
  H       0.391345      3.248160      4.728990
  H       0.706183      3.461180      6.475505
  H       0.494485     -0.602629      3.787430
  H       0.117883      1.066440      3.304917
  H       0.465903     -0.021051      6.131832
  H       1.441694      1.254145      5.368363
  H      -2.270410      0.486666      8.559254
  H      -1.487952     -0.505366      7.324902
  H      -1.238708      2.513241      7.791638
  H       0.046382      1.294796      7.919860
  C      -3.340686      3.803206      7.068445
  C      -4.047057      5.149411      6.830546
  O      -5.025976      5.020317      5.773682
  C      -4.674014      5.359206      4.519653
  O      -3.582702      5.791990      4.174594
  C      -5.848900      5.156706      3.589427
  N      -6.691294      4.192383      3.928652
  C      -7.752774      3.983824      3.114036
  N      -8.060066      4.652369      2.021415
  C      -7.207444      5.652490      1.658146
  C      -7.492610      6.391258      0.487161
  C      -6.648215      7.401773      0.089185
  C      -5.496635      7.715600      0.847423
  C      -5.188024      7.014009      1.991329
  C      -6.031188      5.957959      2.422999
  C      -1.940354     -1.276610      4.446124
  C      -2.933790     -1.779851      3.362665
  O      -3.386528     -0.766108      2.419511
  C      -3.901087      0.370351      2.796099
  O      -4.195975      0.651797      3.955224
  C      -4.193935      1.263772      1.624616
  N      -5.356025      1.903571      1.681415
  C      -5.693561      2.652317      0.590045
  N      -4.973448      2.834871     -0.510710
  C      -3.756412      2.210650     -0.561304
  C      -2.930269      2.384766     -1.717962
  C      -1.691319      1.762664     -1.787329
  C      -1.226156      0.959515     -0.704295
  C      -2.009770      0.763355      0.428334
  C      -3.297787      1.372458      0.518013
  C      -4.200722     -0.100116      6.906734
  C      -4.993571      0.383060      8.124978
  O      -5.712048      1.605549      7.848370
  C      -6.956554      1.444759      7.327264
  O      -7.450756      0.355096      7.069923
  C      -7.649761      2.775154      7.121738
  N      -7.097129      3.827493      7.710228
  C      -7.703490      5.027317      7.539159
  N      -8.801359      5.276182      6.854845
  C      -9.389482      4.206587      6.247961
  C     -10.567742      4.426180      5.492365
  C     -11.181154      3.372430      4.853542
  C     -10.635929      2.068118      4.941277
  C      -9.490420      1.819453      5.667214
  C      -8.840205      2.880463      6.346912
  H      -2.753012      3.922916      8.004647
  H      -4.107342      3.035549      7.246379
  H      -3.338140      5.967222      6.584998
  H      -4.636963      5.409430      7.732380
  H      -8.417981      3.166337      3.400420
  H      -8.389884      6.132017     -0.073472
  H      -6.866903      7.970728     -0.813619
  H      -4.846101      8.527346      0.521919
  H      -4.300746      7.259004      2.568208
  H      -2.448998     -1.352079      5.410824
  H      -1.094729     -1.987961      4.469543
  H      -3.820676     -2.233562      3.803841
  H      -2.452300     -2.500342      2.700008
  H      -6.674221      3.139810      0.632347
  H      -3.310800      3.016492     -2.533639
  H      -1.060453      1.886517     -2.681163
  H      -0.237706      0.484106     -0.771708
  H      -1.643213      0.139063      1.254353
  H      -4.873838     -0.152208      6.039132
  H      -3.887748     -1.139879      7.139990
  H      -5.705681     -0.394762      8.431913
  H      -4.336561      0.635984      8.972891
  H      -7.217970      5.878888      8.027678
  H     -10.956263      5.444754      5.436423
  H     -12.087285      3.541723      4.270327
  H     -11.128455      1.246025      4.423740
  H      -9.077983      0.813990      5.732042
  N      -1.990695      2.672537      3.405125
  N      -1.724428      3.380337      2.360694
  H      -2.030898      4.360969      2.313368
  H      -1.437708      2.928436      1.492029
99
Coordinates from ORCA-job orca E -6706.977772746694
  N      -2.518339      3.432427      5.930085
  Mo     -2.501432      1.697643      4.898596
  N      -3.025453      0.708236      6.591129
  C      -1.916508      0.507177      7.522288
  C      -0.854155      1.586239      7.374405
  N      -0.536171      1.828609      5.932995
  C      -0.067099      3.224147      5.709769
  C      -1.280094      4.197043      5.786091
  C       0.436535      0.815638      5.415319
  C      -0.074211      0.296421      4.067590
  N      -1.489672      0.056894      4.206660
  H      -1.309625      4.799077      4.862142
  H      -1.163421      4.903365      6.626480
  H       0.377219      3.250240      4.707654
  H       0.718190      3.471169      6.442400
  H       0.479977     -0.612277      3.784012
  H       0.100307      1.059377      3.290170
  H       0.470419     -0.014136      6.132235
  H       1.440816      1.260590      5.353359
  H      -2.246476      0.502380      8.576839
  H      -1.469250     -0.494307      7.342588
  H      -1.219642      2.529052      7.792083
  H       0.066778      1.311302      7.914234
  C      -3.327259      3.819150      7.067589
  C      -4.019802      5.158549      6.811052
  O      -5.005748      5.035135      5.764241
  C      -4.659552      5.358685      4.511718
  O      -3.568093      5.778443      4.162594
  C      -5.838633      5.162129      3.583169
  N      -6.683507      4.192665      3.912452
  C      -7.742043      3.987144      3.087508
  N      -8.043617      4.664011      1.993520
  C      -7.189730      5.672649      1.643395
  C      -7.469441      6.425684      0.475004
  C      -6.623126      7.447028      0.094429
  C      -5.475483      7.757783      0.867605
  C      -5.172504      7.041467      2.008372
  C      -6.017138      5.974577      2.421190
  C      -1.950187     -1.282338      4.482319
  C      -2.971449     -1.812221      3.420590
  O      -3.420545     -0.813959      2.450915
  C      -3.918214      0.344761      2.816680
  O      -4.206617      0.654262      3.992508
  C      -4.211727      1.224831      1.633175
  N      -5.381383      1.835631      1.691209
  C      -5.737641      2.576439      0.607408
  N      -5.029282      2.782607     -0.484340
  C      -3.805587      2.190010     -0.538194
  C      -2.997568      2.401875     -1.682836
  C      -1.750867      1.823601     -1.760064
  C      -1.260563      1.024910     -0.695791
  C      -2.026380      0.789044      0.426491
  C      -3.323505      1.356668      0.527441
  C      -4.183137     -0.105337      6.926847
  C      -4.991259      0.367600      8.135556
  O      -5.718484      1.583188      7.852770
  C      -6.949206      1.417187      7.320228
  O      -7.432879      0.327871      7.063202
  C      -7.636927      2.744820      7.100762
  N      -7.085772      3.792483      7.699297
  C      -7.683930      4.994563      7.520533
  N      -8.774318      5.249248      6.822207
  C      -9.361695      4.184360      6.204931
  C     -10.533227      4.411772      5.439405
  C     -11.147282      3.364445      4.791729
  C     -10.609125      2.058571      4.878783
  C      -9.470217      1.801785      5.614862
  C      -8.819585      2.856200      6.306221
  H      -2.735480      3.947999      7.998284
  H      -4.097432      3.062489      7.252258
  H      -3.309889      5.949787      6.552607
  H      -4.591578      5.436621      7.700100
  H      -8.408785      3.164147      3.363817
  H      -8.364441      6.169626     -0.096823
  H      -6.837942      8.027779     -0.805418
  H      -4.824299      8.578972      0.557102
  H      -4.289590      7.285569      2.599233
  H      -2.442142     -1.343835      5.464982
  H      -1.104600     -1.991722      4.501631
  H      -3.863761     -2.248781      3.894918
  H      -2.509769     -2.560632      2.762591
  H      -6.722985      3.039239      0.651923
  H      -3.397393      3.029596     -2.481366
  H      -1.134278      1.978859     -2.645727
  H      -0.265059      0.586252     -0.768493
  H      -1.637103      0.173334      1.237497
  H      -4.851308     -0.164220      6.057806
  H      -3.861022     -1.142166      7.161200
  H      -5.697702     -0.417074      8.432686
  H      -4.347379      0.624536      8.986719
  H      -7.198159      5.842451      8.015742
  H     -10.916539      5.431265      5.384430
  H     -12.048484      3.539946      4.202770
  H     -11.102196      1.241728      4.353583
  H      -9.064993      0.795336      5.680780
  N      -2.021221      2.672010      3.422275
  N      -1.765737      3.379237      2.379520
  H      -2.075756      4.359033      2.345795
  H      -1.492146      2.937635      1.503144
99
Coordinates from ORCA-job orca E -6706.976267027490
  N      -2.481747      3.453142      5.917624
  Mo     -2.502013      1.721085      4.890896
  N      -3.023977      0.738951      6.590720
  C      -1.914967      0.532945      7.519370
  C      -0.842952      1.601648      7.362109
  N      -0.528087      1.830370      5.916816
  C      -0.042235      3.219068      5.684385
  C      -1.236059      4.199103      5.772670
  C       0.426388      0.800349      5.398271
  C      -0.095603      0.280476      4.050567
  N      -1.514521      0.058824      4.198619
  H      -1.263820      4.803122      4.859852
  H      -1.100419      4.892033      6.614410
  H       0.391561      3.235201      4.682971
  H       0.750908      3.464987      6.403729
  H       0.447037     -0.639977      3.765045
  H       0.085169      1.041175      3.265165
  H       0.448058     -0.027962      6.120787
  H       1.436607      1.229136      5.332191
  H      -2.242510      0.534447      8.575256
  H      -1.476228     -0.473882      7.341521
  H      -1.196618      2.551713      7.776407
  H       0.075948      1.319828      7.898618
  C      -3.282417      3.840511      7.060154
  C      -3.978298      5.189855      6.826185
  O      -4.959678      5.071903      5.772840
  C      -4.618278      5.421617      4.519048
  O      -3.538768      5.882615      4.163887
  C      -5.788433      5.186660      3.602370
  N      -6.593146      4.201088      3.947853
  C      -7.657484      3.970264      3.151147
  N      -8.003005      4.640549      2.076733
  C      -7.189730      5.664920      1.711446
  C      -7.518094      6.411991      0.563689
  C      -6.711410      7.446075      0.164080
  C      -5.554937      7.774350      0.896443
  C      -5.205767      7.066168      2.018885
  C      -6.011425      5.989279      2.452191
  C      -1.987313     -1.279247      4.498448
  C      -3.035277     -1.820452      3.461782
  O      -3.466737     -0.833394      2.471593
  C      -3.941657      0.353235      2.825469
  O      -4.233084      0.696948      4.008355
  C      -4.214081      1.228238      1.632665
  N      -5.379696      1.862285      1.687960
  C      -5.719690      2.604038      0.602094
  N      -4.998710      2.788195     -0.492697
  C      -3.778919      2.173284     -0.543498
  C      -2.958971      2.369875     -1.684543
  C      -1.715951      1.776290     -1.754834
  C      -1.239969      0.978483     -0.684986
  C      -2.016463      0.759143      0.436984
  C      -3.312285      1.341974      0.529772
  C      -4.178036     -0.083636      6.916492
  C      -5.002316      0.364904      8.121614
  O      -5.747965      1.574899      7.844747
  C      -6.973702      1.405880      7.306046
  O      -7.443528      0.319999      7.040457
  C      -7.669940      2.729023      7.092281
  N      -7.131405      3.773798      7.707407
  C      -7.731428      4.974130      7.532626
  N      -8.812731      5.229233      6.824434
  C      -9.386057      4.166695      6.186390
  C     -10.542358      4.395218      5.398703
  C     -11.134844      3.350807      4.714137
  C     -10.592920      2.046186      4.792505
  C      -9.471293      1.787706      5.557288
  C      -8.840312      2.840036      6.279644
  H      -2.688456      3.955510      7.992982
  H      -4.052821      3.085146      7.239396
  H      -3.268875      6.003145      6.581066
  H      -4.563488      5.447770      7.730165
  H      -8.292127      3.135479      3.440856
  H      -8.417588      6.141191      0.022506
  H      -6.963643      8.021849     -0.720631
  H      -4.934081      8.602272      0.568766
  H      -4.313989      7.320892      2.575603
  H      -2.463036     -1.323417      5.493758
  H      -1.149204     -1.996765      4.508516
  H      -3.934634     -2.226837      3.960655
  H      -2.598296     -2.599836      2.814418
  H      -6.701850      3.090309      0.649564
  H      -3.346742      2.999411     -2.484510
  H      -1.091331      1.920390     -2.638440
  H      -0.246668      0.528473     -0.751539
  H      -1.637700      0.146957      1.253326
  H      -4.838892     -0.139418      6.043583
  H      -3.848296     -1.120896      7.142467
  H      -5.698678     -0.434367      8.405004
  H      -4.370019      0.620371      8.977668
  H      -7.254829      5.819709      8.040638
  H     -10.928888      5.413285      5.349496
  H     -12.021813      3.527847      4.101294
  H     -11.067756      1.231472      4.233530
  H      -9.061785      0.782964      5.613344
  N      -2.020642      2.688972      3.408358
  N      -1.760700      3.391095      2.363136
  H      -2.074771      4.364395      2.328402
  H      -1.504525      2.926537      1.475700
99
Coordinates from ORCA-job orca E -6706.978361283192
  N      -2.500689      3.443421      5.926627
  Mo     -2.512560      1.712676      4.889132
  N      -3.017635      0.729746      6.591986
  C      -1.901043      0.530071      7.514664
  C      -0.832489      1.601319      7.346960
  N      -0.532985      1.833289      5.899060
  C      -0.058536      3.224621      5.658530
  C      -1.258737      4.201429      5.780306
  C       0.424076      0.810741      5.371834
  C      -0.105077      0.298080      4.026870
  N      -1.520699      0.063022      4.181145
  H      -1.297552      4.830190      4.877499
  H      -1.121016      4.879320      6.637571
  H       0.349885      3.246511      4.641734
  H       0.754090      3.468115      6.360895
  H       0.442242     -0.613049      3.730722
  H       0.061734      1.065021      3.248515
  H       0.455310     -0.021160      6.089237
  H       1.432439      1.245635      5.301623
  H      -2.221102      0.534570      8.572926
  H      -1.461784     -0.476569      7.338294
  H      -1.184411      2.549246      7.765284
  H       0.093066      1.321283      7.874900
  C      -3.300785      3.824986      7.073967
  C      -3.993103      5.172338      6.837670
  O      -4.978076      5.057097      5.789565
  C      -4.634577      5.383003      4.539125
  O      -3.546940      5.808323      4.189116
  C      -5.809606      5.171754      3.612758
  N      -6.633186      4.186443      3.938512
  C      -7.689563      3.968361      3.116745
  N      -8.009347      4.650213      2.032604
  C      -7.177653      5.676696      1.688214
  C      -7.477712      6.438110      0.532052
  C      -6.652275      7.476117      0.157345
  C      -5.505598      7.795245      0.923840
  C      -5.183759      7.071960      2.053607
  C      -6.007480      5.989496      2.460230
  C      -1.972735     -1.276506      4.478266
  C      -3.030791     -1.809417      3.454050
  O      -3.476313     -0.823135      2.471478
  C      -3.953101      0.346739      2.829033
  O      -4.235413      0.677015      4.007553
  C      -4.230512      1.216917      1.636078
  N      -5.399872      1.835956      1.679255
  C      -5.737057      2.571161      0.587091
  N      -5.010966      2.760215     -0.501061
  C      -3.787988      2.158605     -0.538445
  C      -2.960410      2.360504     -1.670578
  C      -1.713393      1.780117     -1.724516
  C      -1.241591      0.988743     -0.648993
  C      -2.025828      0.764126      0.463923
  C      -3.324009      1.335312      0.541045
  C      -4.170818     -0.087470      6.935324
  C      -4.981239      0.386379      8.140363
  O      -5.729578      1.589996      7.843945
  C      -6.976932      1.407849      7.340178
  O      -7.472288      0.312231      7.127041
  C      -7.662921      2.731169      7.094066
  N      -7.118163      3.782168      7.686674
  C      -7.712358      4.982597      7.488878
  N      -8.791505      5.232965      6.776119
  C      -9.370369      4.164875      6.159918
  C     -10.525951      4.388644      5.371072
  C     -11.127110      3.338652      4.713563
  C     -10.592633      2.033301      4.816600
  C      -9.470401      1.779699      5.579715
  C      -8.832571      2.837287      6.280082
  H      -2.702964      3.941614      8.003809
  H      -4.071123      3.068687      7.256095
  H      -3.283872      5.974247      6.586763
  H      -4.567199      5.436870      7.736956
  H      -8.339146      3.132344      3.390090
  H      -8.371216      6.175363     -0.035151
  H      -6.882856      8.063349     -0.733207
  H      -4.870895      8.628088      0.617204
  H      -4.301113      7.321564      2.638926
  H      -2.430470     -1.338043      5.476655
  H      -1.126079     -1.984074      4.468556
  H      -3.919939     -2.214596      3.956156
  H      -2.599444     -2.580836      2.806944
  H      -6.720968      3.047093      0.623690
  H      -3.344747      2.984515     -2.476234
  H      -1.081570      1.930164     -2.599050
  H      -0.245238      0.549304     -0.703056
  H      -1.650701      0.159512      1.287822
  H      -4.839487     -0.154552      6.068304
  H      -3.842499     -1.121220      7.174189
  H      -5.675429     -0.407357      8.451489
  H      -4.335826      0.662275      8.983842
  H      -7.234384      5.833008      7.984021
  H     -10.906215      5.407575      5.302144
  H     -12.014902      3.511653      4.102696
  H     -11.074436      1.214169      4.279540
  H      -9.067997      0.773964      5.656383
  N      -2.050581      2.689298      3.411157
  N      -1.801630      3.398371      2.368938
  H      -2.118734      4.361588      2.343729
  H      -1.565107      2.943003      1.474587
99
Coordinates from ORCA-job orca E -6706.976844944274
  N      -2.514895      3.433823      5.939081
  Mo     -2.523767      1.710225      4.882400
  N      -3.034701      0.718452      6.579913
  C      -1.916963      0.505185      7.496478
  C      -0.841143      1.567864      7.332184
  N      -0.547810      1.812059      5.884937
  C      -0.071007      3.204183      5.656110
  C      -1.271549      4.191605      5.804735
  C       0.407136      0.793339      5.344968
  C      -0.124837      0.297399      4.000418
  N      -1.540173      0.061653      4.157541
  H      -1.314626      4.848653      4.909731
  H      -1.129890      4.853222      6.684749
  H       0.328558      3.233813      4.629621
  H       0.756351      3.432510      6.358293
  H       0.420746     -0.607651      3.693863
  H       0.039859      1.069634      3.232627
  H       0.436901     -0.043676      6.051001
  H       1.416496      1.225927      5.277287
  H      -2.233455      0.507565      8.555276
  H      -1.486503     -0.502800      7.313316
  H      -1.185734      2.513828      7.761218
  H       0.087141      1.277849      7.851239
  C      -3.314193      3.815828      7.082051
  C      -4.006364      5.150929      6.827320
  O      -4.999328      5.023235      5.789651
  C      -4.657454      5.355301      4.537309
  O      -3.576652      5.814343      4.184602
  C      -5.824337      5.119229      3.605534
  N      -6.622486      4.104608      3.915911
  C      -7.663561      3.857483      3.080778
  N      -7.989215      4.532116      1.994390
  C      -7.184040      5.585570      1.663677
  C      -7.490335      6.337233      0.502979
  C      -6.692104      7.403114      0.143146
  C      -5.567863      7.761242      0.929876
  C      -5.239855      7.047469      2.063241
  C      -6.034463      5.935794      2.454103
  C      -1.989770     -1.276431      4.457968
  C      -3.078705     -1.799124      3.453913
  O      -3.503207     -0.812464      2.465188
  C      -3.965857      0.367755      2.816336
  O      -4.253467      0.693924      3.980026
  C      -4.229157      1.243920      1.621704
  N      -5.402149      1.846461      1.629701
  C      -5.726945      2.572954      0.523158
  N      -4.985328      2.775388     -0.542945
  C      -3.757340      2.190727     -0.544980
  C      -2.908568      2.394745     -1.660552
  C      -1.656689      1.819276     -1.681593
  C      -1.202320      1.028294     -0.593080
  C      -2.008596      0.799114      0.499613
  C      -3.308376      1.367348      0.544107
  C      -4.194757     -0.085755      6.925909
  C      -4.988892      0.401971      8.138539
  O      -5.698803      1.624453      7.854648
  C      -6.926328      1.467774      7.330115
  O      -7.408057      0.383805      7.074039
  C      -7.617969      2.795463      7.111877
  N      -7.094291      3.849565      7.737246
  C      -7.706253      5.045556      7.557401
  N      -8.780067      5.288959      6.830158
  C      -9.338938      4.217208      6.188407
  C     -10.495446      4.430180      5.402527
  C     -11.085512      3.372580      4.746332
  C     -10.535962      2.070250      4.841028
  C      -9.408905      1.828405      5.590940
  C      -8.784468      2.893937      6.294241
  H      -2.713425      3.943035      8.006418
  H      -4.085361      3.060581      7.271406
  H      -3.301140      5.932674      6.562987
  H      -4.565155      5.432377      7.710933
  H      -8.290509      2.999075      3.341974
  H      -8.366745      6.044597     -0.080345
  H      -6.927461      7.982769     -0.750847
  H      -4.954865      8.616793      0.635393
  H      -4.374292      7.328050      2.664128
  H      -2.425273     -1.342293      5.470006
  H      -1.143308     -1.986127      4.423175
  H      -3.979586     -2.169894      3.976550
  H      -2.677326     -2.599569      2.806328
  H      -6.715650      3.024095      0.524993
  H      -3.280399      3.014837     -2.482108
  H      -1.005799      1.971803     -2.541555
  H      -0.202720      0.591759     -0.622701
  H      -1.648214      0.196157      1.336832
  H      -4.870026     -0.139815      6.061309
  H      -3.880558     -1.124657      7.159496
  H      -5.702504     -0.369325      8.441209
  H      -4.339060      0.655489      8.985988
  H      -7.249843      5.898852      8.080043
  H     -10.889651      5.446596      5.346018
  H     -11.977549      3.536120      4.148069
  H     -11.011595      1.245204      4.313881
  H      -8.995911      0.823910      5.665878
  N      -2.046506      2.701913      3.417472
  N      -1.789011      3.425753      2.382787
  H      -2.084639      4.433793      2.368465
  H      -1.543392      3.002355      1.505659
99
Coordinates from ORCA-job orca E -6706.979250139884
  N      -2.507622      3.442398      5.937575
  Mo     -2.535059      1.718661      4.881682
  N      -3.026742      0.726651      6.584043
  C      -1.903174      0.514769      7.493998
  C      -0.829794      1.577748      7.322808
  N      -0.546881      1.821260      5.874312
  C      -0.072388      3.212942      5.642147
  C      -1.261465      4.195468      5.800363
  C       0.401044      0.801010      5.327455
  C      -0.142467      0.309219      3.982971
  N      -1.556852      0.070731      4.148549
  H      -1.302004      4.853197      4.917382
  H      -1.110688      4.846759      6.677954
  H       0.316695      3.244370      4.622339
  H       0.750666      3.441505      6.331392
  H       0.401653     -0.595225      3.666719
  H       0.013878      1.086471      3.215532
  H       0.431900     -0.039625      6.032417
  H       1.412025      1.230309      5.256000
  H      -2.213341      0.515768      8.554171
  H      -1.472948     -0.492953      7.308632
  H      -1.170911      2.523144      7.753921
  H       0.101052      1.286179      7.835771
  C      -3.305075      3.824687      7.082902
  C      -3.988198      5.172069      6.844806
  O      -4.973909      5.055878      5.795657
  C      -4.628696      5.385852      4.543118
  O      -3.546145      5.833105      4.192052
  C      -5.795622      5.147400      3.613160
  N      -6.586222      4.131748      3.928087
  C      -7.631555      3.884113      3.100475
  N      -7.969514      4.562260      2.020437
  C      -7.172393      5.619379      1.687464
  C      -7.494057      6.378952      0.536825
  C      -6.704046      7.448550      0.175368
  C      -5.572418      7.802019      0.949732
  C      -5.230031      7.081193      2.074242
  C      -6.017256      5.967138      2.466989
  C      -1.996241     -1.269394      4.458618
  C      -3.103610     -1.795509      3.476561
  O      -3.531687     -0.817560      2.479813
  C      -3.986585      0.364319      2.828385
  O      -4.268972      0.700254      3.999566
  C      -4.246438      1.232028      1.628577
  N      -5.419964      1.837675      1.634403
  C      -5.737858      2.560016      0.524888
  N      -4.989351      2.751602     -0.543653
  C      -3.761567      2.163830     -0.542039
  C      -2.906851      2.362460     -1.654918
  C      -1.655407      1.789065     -1.669077
  C      -1.206451      1.006814     -0.574319
  C      -2.017742      0.784651      0.518650
  C      -3.318531      1.349755      0.554638
  C      -4.179772     -0.086933      6.935246
  C      -4.976030      0.390218      8.151420
  O      -5.712466      1.601258      7.864472
  C      -6.958453      1.429990      7.368355
  O      -7.457090      0.339947      7.156035
  C      -7.638265      2.754980      7.120179
  N      -7.100228      3.807865      7.717646
  C      -7.691338      5.007909      7.502132
  N      -8.754907      5.256102      6.759329
  C      -9.326539      4.185311      6.140542
  C     -10.466911      4.405087      5.322705
  C     -11.064397      3.350420      4.674333
  C     -10.540610      2.044167      4.813542
  C      -9.430723      1.795147      5.599611
  C      -8.797010      2.857796      6.289797
  H      -2.707903      3.937967      8.012301
  H      -4.079563      3.072982      7.262175
  H      -3.274490      5.966987      6.593047
  H      -4.558554      5.442133      7.741668
  H      -8.252939      3.024759      3.365141
  H      -8.375591      6.089988     -0.036832
  H      -6.951604      8.034519     -0.710795
  H      -4.966102      8.659395      0.653173
  H      -4.358632      7.357116      2.665393
  H      -2.411526     -1.339643      5.477526
  H      -1.148194     -1.974466      4.406894
  H      -3.997881     -2.152491      4.013786
  H      -2.716616     -2.603300      2.837767
  H      -6.725955      3.020358      0.528651
  H      -3.273821      2.977383     -2.479031
  H      -1.000615      1.937544     -2.527836
  H      -0.206853      0.572390     -0.598168
  H      -1.661651      0.191253      1.361820
  H      -4.857564     -0.147558      6.073583
  H      -3.853582     -1.123211      7.168014
  H      -5.675725     -0.394384      8.465177
  H      -4.322027      0.657057      8.991218
  H      -7.222835      5.860589      8.002198
  H     -10.840623      5.424636      5.229136
  H     -11.942050      3.520052      4.043944
  H     -11.020779      1.221386      4.287805
  H      -9.036246      0.788387      5.704088
  N      -2.080112      2.711174      3.414109
  N      -1.831748      3.434088      2.379137
  H      -2.144812      4.410285      2.366421
  H      -1.607568      2.999562      1.486972
99
Coordinates from ORCA-job orca E -6706.977746581156
  N      -2.493586      3.465596      5.928996
  Mo     -2.535684      1.739070      4.881222
  N      -3.013409      0.749649      6.590220
  C      -1.885834      0.554829      7.502000
  C      -0.813375      1.620083      7.311761
  N      -0.540946      1.845660      5.854084
  C      -0.058580      3.233885      5.596605
  C      -1.247730      4.216301      5.783004
  C       0.397629      0.813674      5.310779
  C      -0.155115      0.310488      3.970080
  N      -1.570759      0.077758      4.148174
  H      -1.300371      4.885770      4.909373
  H      -1.083982      4.852967      6.665574
  H       0.305219      3.256328      4.551253
  H       0.798470      3.467464      6.267172
  H       0.383879     -0.602322      3.655654
  H      -0.000189      1.083085      3.190821
  H       0.425788     -0.021941      6.027084
  H       1.410881      1.237061      5.231128
  H      -2.193228      0.567718      8.564764
  H      -1.452783     -0.455876      7.328416
  H      -1.150977      2.571522      7.735190
  H       0.121481      1.334484      7.820055
  C      -3.288665      3.843711      7.079295
  C      -3.981271      5.192036      6.848466
  O      -4.971777      5.079050      5.805789
  C      -4.624612      5.376989      4.559100
  O      -3.531794      5.770495      4.209371
  C      -5.796675      5.173385      3.626812
  N      -6.613784      4.176491      3.934390
  C      -7.660977      3.959235      3.097314
  N      -7.978397      4.654662      2.018809
  C      -7.153546      5.695327      1.695500
  C      -7.451116      6.474304      0.547415
  C      -6.631975      7.527375      0.196651
  C      -5.493989      7.844212      0.978722
  C      -5.174781      7.103723      2.100974
  C      -5.992471      6.006422      2.482602
  C      -2.010298     -1.263886      4.471229
  C      -3.137483     -1.794657      3.517064
  O      -3.562816     -0.831591      2.504749
  C      -4.008201      0.361142      2.845234
  O      -4.285447      0.717545      4.023846
  C      -4.262977      1.219508      1.638508
  N      -5.433098      1.850469      1.652277
  C      -5.741642      2.574392      0.544665
  N      -4.987044      2.739451     -0.533133
  C      -3.763241      2.125959     -0.539646
  C      -2.902164      2.304820     -1.655200
  C      -1.654838      1.713427     -1.671201
  C      -1.215069      0.933622     -0.573936
  C      -2.031299      0.732979      0.524543
  C      -3.329231      1.315648      0.560745
  C      -4.157923     -0.076058      6.943670
  C      -4.969504      0.396341      8.145643
  O      -5.719270      1.596429      7.837274
  C      -6.960774      1.401478      7.333646
  O      -7.451221      0.299922      7.140483
  C      -7.658978      2.718902      7.078428
  N      -7.142137      3.776779      7.693171
  C      -7.756512      4.967837      7.510712
  N      -8.828493      5.203254      6.796182
  C      -9.378078      4.127212      6.157132
  C     -10.526831      4.332112      5.372978
  C     -11.097014      3.270234      4.690644
  C     -10.539071      1.970901      4.766967
  C      -9.424116      1.735739      5.529256
  C      -8.817743      2.806839      6.254328
  H      -2.684883      3.956360      8.005773
  H      -4.060526      3.087305      7.262218
  H      -3.271492      5.989365      6.593533
  H      -4.550197      5.460221      7.748095
  H      -8.306234      3.114404      3.356269
  H      -8.337945      6.213777     -0.032530
  H      -6.861421      8.128641     -0.687160
  H      -4.864993      8.688888      0.690561
  H      -4.298931      7.351337      2.698459
  H      -2.404304     -1.331916      5.497025
  H      -1.165941     -1.970364      4.400776
  H      -4.027080     -2.126995      4.071323
  H      -2.769991     -2.620347      2.895302
  H      -6.725589      3.065455      0.563203
  H      -3.260655      2.920538     -2.478313
  H      -0.995675      1.848351     -2.532142
  H      -0.218521      0.485204     -0.599049
  H      -1.682873      0.145351      1.371596
  H      -4.829762     -0.151837      6.080229
  H      -3.819576     -1.105988      7.185318
  H      -5.661843     -0.398028      8.457609
  H      -4.327627      0.678916      8.988724
  H      -7.303995      5.822749      8.025529
  H     -10.927520      5.345347      5.326179
  H     -11.979461      3.428403      4.084190
  H     -10.996852      1.141286      4.209115
  H      -9.004069      0.734446      5.587556
  N      -2.079729      2.718959      3.401512
  N      -1.833168      3.433783      2.360633
  H      -2.150683      4.401661      2.346458
  H      -1.631636      2.958610      1.450496
99
Coordinates from ORCA-job orca E -6706.980170544426
  N      -2.503658      3.452617      5.941769
  Mo     -2.548851      1.729797      4.880939
  N      -3.019540      0.733569      6.588438
  C      -1.889228      0.530361      7.493437
  C      -0.816442      1.593076      7.304721
  N      -0.550425      1.829593      5.848893
  C      -0.070941      3.219650      5.603355
  C      -1.255766      4.202566      5.802427
  C       0.386042      0.802629      5.294097
  C      -0.170359      0.316959      3.951878
  N      -1.584054      0.076385      4.131858
  H      -1.306722      4.885966      4.937697
  H      -1.089102      4.827447      6.695216
  H       0.291260      3.252099      4.563291
  H       0.781892      3.443733      6.273820
  H       0.370833     -0.586892      3.622877
  H      -0.023550      1.099306      3.184989
  H       0.413495     -0.040423      5.998953
  H       1.400227      1.223993      5.218063
  H      -2.191899      0.539351      8.557000
  H      -1.460489     -0.480413      7.313770
  H      -1.151784      2.541294      7.735495
  H       0.120468      1.303009      7.806849
  C      -3.297903      3.832125      7.091058
  C      -3.976624      5.185860      6.861105
  O      -4.964451      5.080127      5.812377
  C      -4.611575      5.405195      4.559566
  O      -3.524876      5.845820      4.209546
  C      -5.772262      5.166720      3.624062
  N      -6.556607      4.145097      3.929746
  C      -7.598335      3.899617      3.097086
  N      -7.938641      4.586586      2.024055
  C      -7.146685      5.649990      1.701591
  C      -7.470196      6.420250      0.558954
  C      -6.683967      7.495254      0.208306
  C      -5.553831      7.843070      0.984896
  C      -5.210240      7.112378      2.102608
  C      -5.994756      5.994079      2.484391
  C      -2.010598     -1.266782      4.452496
  C      -3.157788     -1.787980      3.518213
  O      -3.579335     -0.827360      2.504195
  C      -4.019404      0.362140      2.843519
  O      -4.294362      0.712016      4.017437
  C      -4.276396      1.216798      1.635695
  N      -5.453503      1.818718      1.630942
  C      -5.766344      2.529836      0.515451
  N      -5.009544      2.713652     -0.549102
  C      -3.778367      2.130265     -0.536067
  C      -2.913479      2.327590     -1.638390
  C      -1.659521      1.761450     -1.637220
  C      -1.217460      0.987391     -0.537250
  C      -2.037579      0.768509      0.547791
  C      -3.340346      1.327687      0.567686
  C      -4.167085     -0.083699      6.950430
  C      -4.960221      0.397886      8.164975
  O      -5.704242      1.603078      7.863510
  C      -6.958556      1.416429      7.379883
  O      -7.463736      0.318434      7.201316
  C      -7.641873      2.736824      7.109097
  N      -7.118054      3.795797      7.709067
  C      -7.714067      4.991274      7.484081
  N      -8.767007      5.230213      6.729340
  C      -9.322736      4.153169      6.105286
  C     -10.449741      4.362491      5.273478
  C     -11.028550      3.299717      4.613210
  C     -10.500737      1.995068      4.757534
  C      -9.404936      1.756125      5.561660
  C      -8.789114      2.828113      6.262566
  H      -2.696850      3.937606      8.020262
  H      -4.075212      3.081699      7.268563
  H      -3.259372      5.978003      6.608492
  H      -4.542732      5.457795      7.761094
  H      -8.215483      3.035762      3.354164
  H      -8.349932      6.135554     -0.017430
  H      -6.933288      8.089322     -0.671733
  H      -4.950346      8.703617      0.695506
  H      -4.339053      7.382320      2.694831
  H      -2.382337     -1.348499      5.484874
  H      -1.164339     -1.968454      4.356663
  H      -4.045302     -2.100185      4.084629
  H      -2.809613     -2.623929      2.901030
  H      -6.757034      2.989217      0.513903
  H      -3.273961      2.936535     -2.465847
  H      -0.996175      1.911823     -2.486837
  H      -0.215946      0.558765     -0.549800
  H      -1.688161      0.188840      1.399947
  H      -4.849417     -0.152273      6.093286
  H      -3.834813     -1.116570      7.187764
  H      -5.656140     -0.389009      8.488683
  H      -4.304020      0.676823      9.000539
  H      -7.261220      5.848300      7.991852
  H     -10.827947      5.380184      5.175910
  H     -11.894934      3.461305      3.970280
  H     -10.966075      1.165142      4.220041
  H      -9.007095      0.750767      5.669687
  N      -2.106663      2.727494      3.412805
  N      -1.864442      3.454901      2.379322
  H      -2.184492      4.426200      2.375434
  H      -1.658092      3.009558      1.475443
99
Coordinates from ORCA-job orca E -6706.979222055992
  N      -2.501815      3.462095      5.935921
  Mo     -2.565442      1.746219      4.863045
  N      -3.034083      0.739277      6.564237
  C      -1.904011      0.516104      7.461069
  C      -0.826945      1.570465      7.282894
  N      -0.563465      1.822631      5.834499
  C      -0.082555      3.212561      5.612473
  C      -1.246584      4.200484      5.811557
  C       0.366269      0.799073      5.264839
  C      -0.195787      0.335923      3.918723
  N      -1.609342      0.095919      4.099436
  H      -1.282159      4.892964      4.962200
  H      -1.074837      4.810105      6.712984
  H       0.287219      3.255943      4.599982
  H       0.742776      3.423039      6.284099
  H       0.342246     -0.562990      3.573995
  H      -0.051344      1.128399      3.164684
  H       0.389106     -0.054215      5.953918
  H       1.382746      1.213834      5.194825
  H      -2.204169      0.515899      8.523093
  H      -1.483860     -0.494570      7.269496
  H      -1.155383      2.514896      7.725088
  H       0.108170      1.267273      7.778537
  C      -3.292100      3.843582      7.087135
  C      -3.969473      5.195554      6.846903
  O      -4.963469      5.075063      5.807184
  C      -4.620134      5.360608      4.552747
  O      -3.537290      5.783706      4.190694
  C      -5.788084      5.108750      3.624197
  N      -6.552105      4.066133      3.923691
  C      -7.588490      3.800737      3.084992
  N      -7.943475      4.487544      2.012324
  C      -7.175342      5.574857      1.698391
  C      -7.517695      6.349988      0.560145
  C      -6.756279      7.450974      0.222180
  C      -5.633197      7.820385      1.006639
  C      -5.271153      7.084426      2.118885
  C      -6.030068      5.940591      2.487861
  C      -2.027423     -1.248191      4.428495
  C      -3.218799     -1.759967      3.533220
  O      -3.614444     -0.809142      2.499038
  C      -4.034774      0.395136      2.828135
  O      -4.322245      0.746151      3.994638
  C      -4.264414      1.250287      1.611909
  N      -5.439941      1.859338      1.569467
  C      -5.717140      2.561550      0.431506
  N      -4.928318      2.729076     -0.620015
  C      -3.698116      2.140180     -0.565036
  C      -2.793819      2.315142     -1.652587
  C      -1.539253      1.738583     -1.604799
  C      -1.134962      0.977957     -0.472389
  C      -1.994006      0.781431      0.597707
  C      -3.297396      1.348076      0.566914
  C      -4.178518     -0.083357      6.916622
  C      -4.967757      0.381454      8.143258
  O      -5.706634      1.594970      7.874444
  C      -6.955003      1.433469      7.394185
  O      -7.453140      0.352439      7.181876
  C      -7.630551      2.758024      7.151178
  N      -7.099858      3.810171      7.757335
  C      -7.688480      5.010947      7.532548
  N      -8.734416      5.260154      6.763595
  C      -9.298176      4.189115      6.137425
  C     -10.421516      4.408761      5.295661
  C     -11.015373      3.352229      4.653051
  C     -10.504802      2.043570      4.819617
  C      -9.408890      1.795239      5.624101
  C      -8.778366      2.860376      6.307150
  H      -2.687539      3.947783      8.013125
  H      -4.072285      3.097904      7.271584
  H      -3.252017      5.978701      6.580492
  H      -4.530914      5.482035      7.740668
  H      -8.185325      2.917682      3.333732
  H      -8.392075      6.049109     -0.022656
  H      -7.020838      8.049696     -0.653414
  H      -5.050593      8.702261      0.727798
  H      -4.406526      7.372042      2.718690
  H      -2.362222     -1.336559      5.478291
  H      -1.185816     -1.949363      4.298151
  H      -4.111749     -2.020875      4.132335
  H      -2.916761     -2.632907      2.929355
  H      -6.706795      3.026167      0.397377
  H      -3.124599      2.914164     -2.507979
  H      -0.844258      1.871012     -2.442632
  H      -0.132639      0.540824     -0.449476
  H      -1.676492      0.211490      1.476018
  H      -4.861850     -0.138402      6.059904
  H      -3.845655     -1.119996      7.138650
  H      -5.664801     -0.404292      8.455968
  H      -4.308268      0.640858      8.978637
  H      -7.232370      5.863808      8.044165
  H     -10.787875      5.429628      5.184317
  H     -11.881367      3.521709      4.007059
  H     -10.984260      1.219780      4.302945
  H      -9.024999      0.786838      5.750571
  N      -2.123950      2.750668      3.403022
  N      -1.877524      3.482662      2.374952
  H      -2.200088      4.453481      2.372804
  H      -1.664125      3.065998      1.485100
99
Coordinates from ORCA-job orca E -6706.981494834220
  N      -2.513797      3.460515      5.951951
  Mo     -2.570975      1.742749      4.874987
  N      -3.027793      0.728337      6.576157
  C      -1.893243      0.514342      7.471719
  C      -0.820888      1.574373      7.286907
  N      -0.566921      1.827979      5.833212
  C      -0.087279      3.220303      5.606238
  C      -1.260987      4.204783      5.827516
  C       0.363807      0.806957      5.259289
  C      -0.201575      0.346860      3.914475
  N      -1.613124      0.095659      4.102030
  H      -1.306644      4.911842      4.983542
  H      -1.087167      4.804120      6.736929
  H       0.271852      3.268409      4.573257
  H       0.761012      3.428277      6.275514
  H       0.340545     -0.545773      3.561754
  H      -0.067403      1.143986      3.163574
  H       0.388868     -0.048175      5.947837
  H       1.380522      1.223844      5.188559
  H      -2.190033      0.515026      8.535562
  H      -1.468680     -0.495201      7.282149
  H      -1.152054      2.517306      7.730688
  H       0.120198      1.276197      7.776412
  C      -3.310689      3.840515      7.097184
  C      -3.976220      5.198641      6.862461
  O      -4.965693      5.092678      5.813126
  C      -4.609153      5.389013      4.557439
  O      -3.520861      5.814243      4.200901
  C      -5.767774      5.134552      3.622287
  N      -6.526690      4.090172      3.918174
  C      -7.559825      3.824328      3.078737
  N      -7.915474      4.511982      2.010459
  C      -7.150948      5.599875      1.699875
  C      -7.493682      6.374684      0.565188
  C      -6.735952      7.475850      0.229672
  C      -5.616043      7.845911      1.013278
  C      -5.254086      7.111016      2.123150
  C      -6.009559      5.966778      2.489178
  C      -2.017622     -1.252342      4.429114
  C      -3.229834     -1.759773      3.561345
  O      -3.626943     -0.821621      2.517654
  C      -4.046688      0.380945      2.842615
  O      -4.325160      0.734775      4.011636
  C      -4.290242      1.226679      1.624653
  N      -5.471860      1.817511      1.586866
  C      -5.767053      2.511505      0.452782
  N      -4.989401      2.690284     -0.597822
  C      -3.753300      2.119303     -0.549599
  C      -2.862062      2.309312     -1.636116
  C      -1.603585      1.750332     -1.597830
  C      -1.182688      0.990339     -0.476957
  C      -2.028149      0.779556      0.592910
  C      -3.334204      1.332112      0.574215
  C      -4.170679     -0.094711      6.936491
  C      -4.956908      0.377090      8.160875
  O      -5.692115      1.590774      7.877464
  C      -6.944737      1.419437      7.397298
  O      -7.454863      0.329721      7.212241
  C      -7.615831      2.744044      7.131890
  N      -7.088945      3.796937      7.737640
  C      -7.672527      4.996700      7.503926
  N      -8.707997      5.245266      6.726308
  C      -9.266200      4.174011      6.096834
  C     -10.375301      4.392990      5.240494
  C     -10.960467      3.334802      4.583804
  C     -10.457725      2.024947      4.756185
  C      -9.377590      1.777052      5.580485
  C      -8.753547      2.844667      6.274232
  H      -2.714266      3.939517      8.028700
  H      -4.094896      3.096032      7.269359
  H      -3.248911      5.982119      6.605210
  H      -4.541500      5.483848      7.760465
  H      -8.153432      2.940911      3.325058
  H      -8.365266      6.073505     -0.017173
  H      -7.000941      8.073946     -0.643562
  H      -5.036098      8.727384      0.735558
  H      -4.391411      7.398666      2.721754
  H      -2.324343     -1.356312      5.485162
  H      -1.174766     -1.946211      4.267952
  H      -4.116086     -1.995684      4.175361
  H      -2.948689     -2.646206      2.971846
  H      -6.761985      2.959579      0.423465
  H      -3.205530      2.905920     -2.482694
  H      -0.918413      1.896388     -2.434688
  H      -0.177888      0.566312     -0.462470
  H      -1.698411      0.214417      1.464449
  H      -4.858133     -0.154344      6.082963
  H      -3.835860     -1.129768      7.162185
  H      -5.656927     -0.406170      8.477584
  H      -4.297197      0.641402      8.996644
  H      -7.221777      5.848894      8.018596
  H     -10.736532      5.414047      5.123962
  H     -11.813566      3.503854      3.922273
  H     -10.929865      1.198747      4.224999
  H      -8.998696      0.767837      5.709491
  N      -2.133473      2.753975      3.416319
  N      -1.890807      3.492289      2.390190
  H      -2.216888      4.462668      2.393654
  H      -1.683532      3.058144      1.487752
99
Coordinates from ORCA-job orca E -6706.982435790404
  N      -2.507787      3.463801      5.954247
  Mo     -2.579894      1.748761      4.872426
  N      -3.028042      0.728751      6.574040
  C      -1.892973      0.519400      7.470777
  C      -0.819726      1.579321      7.278496
  N      -0.571095      1.827960      5.822123
  C      -0.083438      3.217837      5.589858
  C      -1.251596      4.201125      5.828953
  C       0.350831      0.800976      5.245353
  C      -0.219287      0.347807      3.898379
  N      -1.631270      0.096309      4.090250
  H      -1.300555      4.917341      4.997383
  H      -1.067897      4.784350      6.742153
  H       0.266454      3.266742      4.549615
  H       0.776628      3.422984      6.251612
  H       0.321323     -0.545201      3.536051
  H      -0.088141      1.151248      3.150042
  H       0.369086     -0.057282      5.933390
  H       1.370592      1.209908      5.175929
  H      -2.188991      0.526429      8.536279
  H      -1.469738     -0.493586      7.287634
  H      -1.147947      2.525126      7.720327
  H       0.122425      1.282371      7.764901
  C      -3.301115      3.845803      7.102112
  C      -3.956228      5.210341      6.867429
  O      -4.950316      5.114182      5.822934
  C      -4.591743      5.411858      4.562614
  O      -3.506373      5.851432      4.199623
  C      -5.744917      5.142644      3.626971
  N      -6.482487      4.081147      3.914083
  C      -7.512254      3.805364      3.073956
  N      -7.883062      4.498621      2.014939
  C      -7.139763      5.603976      1.714510
  C      -7.498880      6.386834      0.590935
  C      -6.761142      7.505074      0.267296
  C      -5.645331      7.884471      1.051154
  C      -5.268116      7.142177      2.150471
  C      -6.003819      5.981866      2.504255
  C      -2.024174     -1.255961      4.416840
  C      -3.268497     -1.746512      3.597985
  O      -3.652066     -0.828127      2.534147
  C      -4.062904      0.380559      2.845364
  O      -4.340354      0.746769      4.015805
  C      -4.302001      1.213777      1.618202
  N      -5.487321      1.798949      1.569495
  C      -5.778416      2.481755      0.428805
  N      -4.993117      2.655092     -0.617841
  C      -3.753414      2.091261     -0.557670
  C      -2.853393      2.282650     -1.634910
  C      -1.591870      1.733612     -1.582237
  C      -1.176450      0.981441     -0.455981
  C      -2.030008      0.770246      0.606183
  C      -3.338652      1.314243      0.572931
  C      -4.169312     -0.093866      6.940167
  C      -4.948751      0.384010      8.165062
  O      -5.685713      1.595242      7.872393
  C      -6.947291      1.416194      7.402889
  O      -7.465197      0.321451      7.240097
  C      -7.619623      2.739339      7.125483
  N      -7.100919      3.796435      7.734538
  C      -7.685758      4.995425      7.494171
  N      -8.712260      5.240537      6.704946
  C      -9.261886      4.165468      6.071153
  C     -10.361702      4.380523      5.204957
  C     -10.939909      3.317499      4.546551
  C     -10.439492      2.006106      4.726599
  C      -9.367824      1.762091      5.560152
  C      -8.750585      2.835158      6.257097
  H      -2.700823      3.937621      8.033522
  H      -4.091291      3.108209      7.275067
  H      -3.224518      5.980918      6.601569
  H      -4.511708      5.507341      7.763238
  H      -8.089397      2.909312      3.312969
  H      -8.366540      6.078535      0.007334
  H      -7.039019      8.109238     -0.597374
  H      -5.081276      8.778518      0.781860
  H      -4.407926      7.435629      2.749007
  H      -2.286507     -1.381438      5.478439
  H      -1.189617     -1.945606      4.207465
  H      -4.143840     -1.928935      4.231544
  H      -3.027885     -2.657342      3.041825
  H      -6.776262      2.926599      0.392202
  H      -3.191761      2.873303     -2.485441
  H      -0.899532      1.883313     -2.410945
  H      -0.169386      0.565112     -0.431433
  H      -1.706476      0.214034      1.483701
  H      -4.861206     -0.156584      6.090342
  H      -3.833479     -1.127123      7.168353
  H      -5.648667     -0.398883      8.491296
  H      -4.283563      0.655156      8.996683
  H      -7.244094      5.850135      8.015382
  H     -10.722723      5.402321      5.083132
  H     -11.785826      3.483521      3.878585
  H     -10.907075      1.175739      4.194477
  H      -8.990958      0.751692      5.695937
  N      -2.146387      2.764127      3.417130
  N      -1.903437      3.505798      2.394493
  H      -2.235379      4.475103      2.404744
  H      -1.692712      3.076306      1.491389
99
Coordinates from ORCA-job orca E -6706.983526447953
  N      -2.513060      3.471110      5.964141
  Mo     -2.587274      1.760282      4.873093
  N      -3.028868      0.724055      6.567325
  C      -1.892744      0.513855      7.462475
  C      -0.821226      1.576557      7.272888
  N      -0.577161      1.832895      5.816440
  C      -0.086862      3.223361      5.591046
  C      -1.255884      4.208340      5.846808
  C       0.343453      0.809026      5.232262
  C      -0.228530      0.367925      3.883207
  N      -1.639959      0.110122      4.078402
  H      -1.307301      4.943551      5.025465
  H      -1.070905      4.775543      6.773986
  H       0.261379      3.279788      4.546444
  H       0.779365      3.420602      6.254502
  H       0.313449     -0.519377      3.509398
  H      -0.102207      1.179517      3.143646
  H       0.360217     -0.054767      5.913362
  H       1.364319      1.216556      5.166202
  H      -2.188194      0.517315      8.528191
  H      -1.468054     -0.497729      7.276921
  H      -1.150378      2.519889      7.720392
  H       0.123563      1.279116      7.754487
  C      -3.309699      3.849476      7.113087
  C      -3.956347      5.221942      6.880222
  O      -4.950180      5.131189      5.833579
  C      -4.586419      5.404429      4.571477
  O      -3.496125      5.822421      4.206179
  C      -5.737756      5.130240      3.636141
  N      -6.468523      4.065311      3.922233
  C      -7.491354      3.780179      3.076460
  N      -7.861678      4.467829      2.014657
  C      -7.125447      5.576904      1.715547
  C      -7.483695      6.353619      0.587917
  C      -6.753253      7.475854      0.266677
  C      -5.646445      7.866242      1.057541
  C      -5.270378      7.130256      2.160976
  C      -5.997629      5.965022      2.511109
  C      -2.018664     -1.247668      4.402142
  C      -3.301932     -1.720565      3.640436
  O      -3.671517     -0.829086      2.549965
  C      -4.074437      0.388262      2.846377
  O      -4.354356      0.761919      4.013556
  C      -4.314786      1.208670      1.611634
  N      -5.505342      1.782096      1.555704
  C      -5.800679      2.453979      0.411165
  N      -5.014093      2.629028     -0.631657
  C      -3.768865      2.077780     -0.564484
  C      -2.866246      2.275632     -1.635762
  C      -1.599199      1.740817     -1.575217
  C      -1.181232      0.994174     -0.448174
  C      -2.037079      0.776572      0.608161
  C      -3.350178      1.309459      0.568772
  C      -4.167853     -0.103392      6.929545
  C      -4.948471      0.366215      8.156719
  O      -5.684175      1.581448      7.873477
  C      -6.943130      1.409999      7.398842
  O      -7.456941      0.319208      7.221334
  C      -7.614158      2.735995      7.130242
  N      -7.097894      3.788754      7.749394
  C      -7.677482      4.990940      7.510230
  N      -8.691582      5.243925      6.708102
  C      -9.238768      4.173465      6.064233
  C     -10.325229      4.397029      5.183865
  C     -10.903907      3.338077      4.519201
  C     -10.417516      2.021992      4.706755
  C      -9.357283      1.770085      5.551983
  C      -8.738202      2.839241      6.253929
  H      -2.712291      3.933671      8.047501
  H      -4.104900      3.114250      7.280756
  H      -3.216129      5.990441      6.613296
  H      -4.513390      5.526081      7.777748
  H      -8.063217      2.881484      3.314549
  H      -8.344613      6.037642     -0.001073
  H      -7.030687      8.075178     -0.601310
  H      -5.089058      8.763827      0.790384
  H      -4.418212      7.433253      2.765896
  H      -2.231357     -1.392931      5.472780
  H      -1.195652     -1.933222      4.142650
  H      -4.165346     -1.836626      4.304061
  H      -3.112622     -2.663993      3.121600
  H      -6.802843      2.889372      0.370229
  H      -3.205969      2.860664     -2.488049
  H      -0.904021      1.898264     -2.398026
  H      -0.170118      0.588377     -0.419171
  H      -1.713657      0.225580      1.487330
  H      -4.860180     -0.161542      6.080218
  H      -3.830098     -1.137476      7.150709
  H      -5.649365     -0.418333      8.475397
  H      -4.285123      0.629811      8.991299
  H      -7.241731      5.841613      8.044184
  H     -10.676607      5.421858      5.057283
  H     -11.739437      3.510541      3.839943
  H     -10.886753      1.194564      4.171280
  H      -8.990700      0.756306      5.692870
  N      -2.153707      2.783998      3.422212
  N      -1.910744      3.531538      2.403664
  H      -2.248836      4.500964      2.418553
  H      -1.688365      3.103652      1.499249
99
Coordinates from ORCA-job orca E -6706.984589767090
  N      -2.519055      3.473337      5.971595
  Mo     -2.590904      1.768163      4.874540
  N      -3.030427      0.716863      6.559959
  C      -1.894009      0.502255      7.452977
  C      -0.823058      1.565994      7.270666
  N      -0.582224      1.833513      5.816930
  C      -0.093930      3.224651      5.602096
  C      -1.260199      4.209364      5.863727
  C       0.340849      0.816865      5.223982
  C      -0.231670      0.387916      3.872562
  N      -1.642747      0.124125      4.066419
  H      -1.309400      4.952195      5.051679
  H      -1.076357      4.766495      6.797923
  H       0.252806      3.287394      4.562403
  H       0.767378      3.417521      6.264027
  H       0.311902     -0.492440      3.491381
  H      -0.107668      1.205543      3.143427
  H       0.361196     -0.051998      5.895755
  H       1.360868      1.227520      5.160388
  H      -2.189881      0.500477      8.517746
  H      -1.468315     -0.506724      7.263170
  H      -1.151449      2.505179      7.726627
  H       0.123436      1.264797      7.748032
  C      -3.316214      3.853246      7.115640
  C      -3.948077      5.228050      6.877216
  O      -4.941571      5.141021      5.829487
  C      -4.576994      5.402872      4.565015
  O      -3.487586      5.819979      4.197643
  C      -5.727438      5.120626      3.629390
  N      -6.448508      4.046157      3.910034
  C      -7.467722      3.754181      3.061160
  N      -7.842920      4.443213      2.001121
  C      -7.118137      5.562761      1.708535
  C      -7.483531      6.342487      0.584572
  C      -6.766096      7.476843      0.272395
  C      -5.666107      7.876903      1.068862
  C      -5.282845      7.137701      2.167987
  C      -5.995817      5.959680      2.508584
  C      -2.007826     -1.238006      4.386712
  C      -3.333469     -1.690939      3.687858
  O      -3.693446     -0.830299      2.568312
  C      -4.086687      0.396560      2.847752
  O      -4.368885      0.777171      4.007233
  C      -4.323970      1.205633      1.604883
  N      -5.517176      1.769721      1.535803
  C      -5.810010      2.429820      0.381693
  N      -5.018702      2.601690     -0.657623
  C      -3.769991      2.060959     -0.576043
  C      -2.859641      2.253864     -1.645582
  C      -1.587878      1.727781     -1.570759
  C      -1.173847      0.992640     -0.432314
  C      -2.038112      0.777805      0.620441
  C      -3.354671      1.303819      0.567593
  C      -4.168657     -0.113476      6.917993
  C      -4.951303      0.352614      8.144592
  O      -5.681254      1.570399      7.865332
  C      -6.935242      1.403223      7.387271
  O      -7.450119      0.313072      7.206190
  C      -7.604843      2.731815      7.126159
  N      -7.089483      3.780362      7.754439
  C      -7.669383      4.984629      7.527711
  N      -8.680462      5.244476      6.727019
  C      -9.226857      4.178347      6.074214
  C     -10.311101      4.409303      5.195866
  C     -10.891216      3.354270      4.523035
  C     -10.408851      2.034718      4.701377
  C      -9.349912      1.776141      5.544171
  C      -8.728384      2.841355      6.252544
  H      -2.722378      3.935499      8.050443
  H      -4.118132      3.124795      7.279671
  H      -3.199158      5.987660      6.610913
  H      -4.504408      5.541018      7.770391
  H      -8.031993      2.848406      3.294122
  H      -8.339702      6.019649     -0.008525
  H      -7.049516      8.078720     -0.592306
  H      -5.119993      8.784940      0.809709
  H      -4.437120      7.449169      2.777867
  H      -2.167775     -1.399700      5.468390
  H      -1.199843     -1.921479      4.079519
  H      -4.181456     -1.733245      4.387476
  H      -3.203547     -2.669682      3.208643
  H      -6.813711      2.857403      0.329280
  H      -3.196248      2.828189     -2.509151
  H      -0.885520      1.881862     -2.391910
  H      -0.159215      0.593120     -0.393804
  H      -1.719678      0.231591      1.506804
  H      -4.860143     -0.167544      6.067836
  H      -3.831326     -1.148689      7.134290
  H      -5.653631     -0.430339      8.456529
  H      -4.291669      0.611604      8.981861
  H      -7.236842      5.830916      8.071357
  H     -10.659401      5.436185      5.077327
  H     -11.724805      3.532263      3.844301
  H     -10.879926      1.209798      4.160544
  H      -8.986391      0.759974      5.677961
  N      -2.155628      2.797255      3.427562
  N      -1.910640      3.549056      2.412246
  H      -2.248265      4.519713      2.431962
  H      -1.682851      3.119000      1.502531
99
Coordinates from ORCA-job orca E -6706.985696889977
  N      -2.523938      3.474695      5.975429
  Mo     -2.594018      1.777282      4.870792
  N      -3.033693      0.713409      6.548612
  C      -1.898116      0.497710      7.442516
  C      -0.827809      1.563413      7.265311
  N      -0.587001      1.837462      5.813656
  C      -0.099302      3.228877      5.602747
  C      -1.264189      4.211527      5.870714
  C       0.336879      0.824510      5.215843
  C      -0.234905      0.403955      3.860772
  N      -1.645615      0.136261      4.051985
  H      -1.313635      4.957253      5.064667
  H      -1.080093      4.762148      6.806717
  H       0.242423      3.294676      4.562430
  H       0.763707      3.421331      6.260746
  H       0.310330     -0.472748      3.474547
  H      -0.111872      1.227457      3.138328
  H       0.358868     -0.047727      5.882961
  H       1.356283      1.236429      5.154229
  H      -2.195876      0.493865      8.506599
  H      -1.470364     -0.510145      7.252515
  H      -1.156839      2.499704      7.725564
  H       0.118340      1.261051      7.742372
  C      -3.321786      3.852260      7.120490
  C      -3.948580      5.230516      6.880075
  O      -4.943028      5.141623      5.834314
  C      -4.578127      5.383043      4.569062
  O      -3.488649      5.793412      4.199214
  C      -5.729092      5.093998      3.635577
  N      -6.444180      4.014745      3.915067
  C      -7.461078      3.717427      3.064422
  N      -7.838628      4.404833      2.003351
  C      -7.120481      5.529514      1.712380
  C      -7.489334      6.309309      0.588747
  C      -6.779707      7.450400      0.280665
  C      -5.684644      7.857475      1.080847
  C      -5.297851      7.117937      2.179074
  C      -6.002247      5.933090      2.515427
  C      -1.999572     -1.230947      4.362339
  C      -3.357037     -1.660240      3.724980
  O      -3.711747     -0.829102      2.581657
  C      -4.098711      0.405559      2.842105
  O      -4.382292      0.803418      3.996263
  C      -4.329602      1.203073      1.589834
  N      -5.524054      1.767900      1.511233
  C      -5.811213      2.421283      0.350714
  N      -5.012673      2.584747     -0.687036
  C      -3.761942      2.045893     -0.594151
  C      -2.841685      2.239103     -1.656204
  C      -1.565477      1.722588     -1.564514
  C      -1.157928      0.994339     -0.417573
  C      -2.032652      0.778338      0.627666
  C      -3.352947      1.297007      0.558707
  C      -4.172080     -0.118061      6.904193
  C      -4.953830      0.341396      8.134805
  O      -5.684731      1.560077      7.864040
  C      -6.938924      1.399145      7.388275
  O      -7.454909      0.313032      7.198131
  C      -7.602810      2.730657      7.135066
  N      -7.084645      3.770697      7.773334
  C      -7.657210      4.978859      7.553190
  N      -8.659516      5.250645      6.743946
  C      -9.208420      4.192832      6.080656
  C     -10.284007      4.437101      5.193487
  C     -10.870707      3.390948      4.514779
  C     -10.404091      2.067257      4.696597
  C      -9.351910      1.796040      5.546035
  C      -8.722578      2.852084      6.258259
  H      -2.729074      3.931404      8.055620
  H      -4.127725      3.126203      7.282854
  H      -3.195267      5.985363      6.610798
  H      -4.504125      5.550889      7.771105
  H      -8.021264      2.808509      3.295958
  H      -8.342229      5.981709     -0.006897
  H      -7.066135      8.052434     -0.583465
  H      -5.145455      8.771266      0.825610
  H      -4.456640      7.435338      2.792455
  H      -2.108127     -1.415999      5.447892
  H      -1.208721     -1.910672      4.004569
  H      -4.182952     -1.633645      4.448297
  H      -3.279855     -2.664096      3.289894
  H      -6.815077      2.853244      0.292331
  H      -3.172954      2.808712     -2.526306
  H      -0.854560      1.879290     -2.377742
  H      -0.139602      0.602921     -0.366504
  H      -1.720219      0.235514      1.520861
  H      -4.865605     -0.165887      6.054902
  H      -3.834582     -1.155101      7.113348
  H      -5.654890     -0.443041      8.443386
  H      -4.293431      0.595781      8.972258
  H      -7.225969      5.817748      8.107706
  H     -10.620706      5.466795      5.074966
  H     -11.698069      3.579248      3.829909
  H     -10.881526      1.249176      4.153321
  H      -9.000030      0.777003      5.681543
  N      -2.156040      2.811686      3.429989
  N      -1.907853      3.567959      2.418650
  H      -2.245827      4.539668      2.441949
  H      -1.662457      3.154244      1.514533
99
Coordinates from ORCA-job orca E -6706.986672675234
  N      -2.527099      3.470873      5.981146
  Mo     -2.595032      1.780959      4.869951
  N      -3.033174      0.708054      6.542681
  C      -1.898736      0.490680      7.437383
  C      -0.828167      1.557288      7.264250
  N      -0.586684      1.837819      5.814633
  C      -0.102766      3.230031      5.608256
  C      -1.266967      4.209751      5.881751
  C       0.337946      0.829644      5.210984
  C      -0.233053      0.417766      3.852199
  N      -1.643061      0.145006      4.040604
  H      -1.315996      4.962313      5.079881
  H      -1.084419      4.754188      6.823333
  H       0.233897      3.299434      4.569239
  H       0.760610      3.423371      6.262485
  H       0.314367     -0.456147      3.460888
  H      -0.111076      1.247564      3.135522
  H       0.362269     -0.046036      5.873688
  H       1.356258      1.243202      5.150360
  H      -2.198653      0.486143      8.501226
  H      -1.469856     -0.517196      7.247769
  H      -1.157482      2.491442      7.728989
  H       0.116757      1.252983      7.741732
  C      -3.326584      3.848102      7.126816
  C      -3.944485      5.233091      6.888821
  O      -4.938573      5.153946      5.842448
  C      -4.571242      5.393060      4.575337
  O      -3.481695      5.803668      4.206587
  C      -5.719441      5.098571      3.640905
  N      -6.430252      4.016777      3.919527
  C      -7.444068      3.715193      3.066749
  N      -7.821009      4.399483      2.003366
  C      -7.106177      5.526161      1.712653
  C      -7.473368      6.302862      0.586173
  C      -6.767130      7.446384      0.279305
  C      -5.677246      7.859218      1.083612
  C      -5.292017      7.122528      2.184440
  C      -5.992828      5.935452      2.519493
  C      -1.984211     -1.228319      4.336653
  C      -3.368691     -1.635641      3.760180
  O      -3.724865     -0.831470      2.598653
  C      -4.110624      0.407127      2.840743
  O      -4.391611      0.824981      3.990098
  C      -4.341102      1.191732      1.580928
  N      -5.537198      1.752266      1.498001
  C      -5.824361      2.401014      0.335598
  N      -5.024114      2.563035     -0.700946
  C      -3.771337      2.029398     -0.603368
  C      -2.848903      2.225485     -1.662508
  C      -1.569474      1.718197     -1.565030
  C      -1.162026      0.994691     -0.415371
  C      -2.039536      0.775115      0.627280
  C      -3.362488      1.285804      0.552677
  C      -4.173039     -0.120526      6.899458
  C      -4.952224      0.339457      8.131640
  O      -5.685274      1.556424      7.860279
  C      -6.940420      1.395421      7.386582
  O      -7.455042      0.310221      7.191873
  C      -7.606338      2.727103      7.135951
  N      -7.090378      3.767413      7.776703
  C      -7.663030      4.976336      7.553725
  N      -8.661905      5.248930      6.736969
  C      -9.209033      4.190523      6.072501
  C     -10.282542      4.435318      5.181355
  C     -10.871664      3.388627      4.509331
  C     -10.408255      2.063958      4.699033
  C      -9.355503      1.792302      5.547817
  C      -8.725022      2.848800      6.256093
  H      -2.735714      3.920686      8.064716
  H      -4.137071      3.126924      7.284189
  H      -3.186939      5.980480      6.618892
  H      -4.495262      5.557675      7.780121
  H      -8.003308      2.806254      3.299240
  H      -8.322464      5.971002     -0.012639
  H      -7.052241      8.045872     -0.587148
  H      -5.140835      8.774634      0.829511
  H      -4.454330      7.443895      2.801035
  H      -2.039076     -1.444671      5.421327
  H      -1.210114     -1.897543      3.922941
  H      -4.168601     -1.546962      4.502484
  H      -3.338236     -2.657653      3.367954
  H      -6.828408      2.831999      0.274750
  H      -3.180641      2.791031     -2.534226
  H      -0.856267      1.876743     -2.376405
  H      -0.141277      0.610200     -0.360351
  H      -1.727608      0.233830      1.521313
  H      -4.869601     -0.163751      6.052146
  H      -3.837350     -1.158597      7.105797
  H      -5.652161     -0.446125      8.442661
  H      -4.289390      0.595118      8.967746
  H      -7.234775      5.815345      8.110695
  H     -10.617055      5.466313      5.058187
  H     -11.698748      3.577268      3.824562
  H     -10.888674      1.245774      4.163052
  H      -9.005832      0.772213      5.689681
  N      -2.159824      2.821022      3.433504
  N      -1.911027      3.580874      2.425262
  H      -2.251269      4.548449      2.452166
  H      -1.654175      3.175651      1.522126
99
Coordinates from ORCA-job orca E -6706.987550214503
  N      -2.532968      3.463452      5.985325
  Mo     -2.591525      1.780074      4.869833
  N      -3.032734      0.701513      6.538381
  C      -1.900627      0.483799      7.436155
  C      -0.830985      1.552961      7.269157
  N      -0.585192      1.839466      5.821653
  C      -0.107469      3.234100      5.617243
  C      -1.274729      4.207269      5.888688
  C       0.343582      0.837047      5.214944
  C      -0.222132      0.431833      3.851735
  N      -1.631033      0.151226      4.033837
  H      -1.324074      4.955462      5.084439
  H      -1.096175      4.755071      6.827207
  H       0.224078      3.304975      4.576261
  H       0.757999      3.433332      6.268091
  H       0.330373     -0.438535      3.457778
  H      -0.101045      1.267095      3.140315
  H       0.370828     -0.040867      5.874634
  H       1.359757      1.254744      5.156569
  H      -2.204529      0.477990      8.499046
  H      -1.469119     -0.523446      7.247175
  H      -1.163371      2.484931      7.736653
  H       0.111793      1.248122      7.749889
  C      -3.337008      3.840156      7.128739
  C      -3.954863      5.227112      6.892743
  O      -4.947128      5.150369      5.845174
  C      -4.573814      5.389275      4.579638
  O      -3.483489      5.805167      4.215367
  C      -5.718428      5.093846      3.642004
  N      -6.430916      4.013059      3.920364
  C      -7.444414      3.713075      3.067219
  N      -7.817750      4.396242      2.001871
  C      -7.099948      5.520957      1.710631
  C      -7.462555      6.296142      0.582028
  C      -6.753979      7.438275      0.274865
  C      -5.665849      7.851206      1.081065
  C      -5.284776      7.115751      2.183942
  C      -5.988163      5.930114      2.519441
  C      -1.959404     -1.229325      4.309079
  C      -3.364773     -1.617906      3.788933
  O      -3.730033     -0.834920      2.614358
  C      -4.118280      0.406265      2.837038
  O      -4.393733      0.847487      3.978825
  C      -4.349301      1.179373      1.570020
  N      -5.545213      1.738473      1.485733
  C      -5.832953      2.386651      0.323631
  N      -5.033390      2.549453     -0.712413
  C      -3.780377      2.018811     -0.613180
  C      -2.859640      2.218735     -1.671316
  C      -1.578745      1.718356     -1.572482
  C      -1.169659      0.995864     -0.422911
  C      -2.046463      0.769846      0.617842
  C      -3.370409      1.275368      0.542795
  C      -4.175865     -0.121436      6.896828
  C      -4.951905      0.338916      8.131681
  O      -5.685900      1.555797      7.860693
  C      -6.946037      1.395364      7.391433
  O      -7.466216      0.310232      7.197009
  C      -7.609866      2.728509      7.142069
  N      -7.091029      3.766234      7.781716
  C      -7.661631      4.975744      7.560765
  N      -8.662028      5.251456      6.748472
  C      -9.210638      4.195885      6.082906
  C     -10.282782      4.443981      5.189452
  C     -10.870970      3.399665      4.509290
  C     -10.408980      2.074788      4.695252
  C      -9.358120      1.800033      5.548205
  C      -8.728031      2.853864      6.262775
  H      -2.749267      3.910067      8.069461
  H      -4.148919      3.119627      7.280797
  H      -3.195601      5.974835      6.626089
  H      -4.507023      5.550366      7.784446
  H      -8.007224      2.806662      3.301125
  H      -8.310552      5.964178     -0.018023
  H      -7.035500      8.036578     -0.593274
  H      -5.127248      8.765320      0.826863
  H      -4.447463      7.436470      2.801388
  H      -1.960647     -1.485542      5.387504
  H      -1.202561     -1.880126      3.835597
  H      -4.138452     -1.478395      4.547554
  H      -3.373933     -2.652803      3.434636
  H      -6.835665      2.818180      0.262192
  H      -3.194182      2.783159     -2.542234
  H      -0.866406      1.880153     -2.382631
  H      -0.147887      0.616937     -0.366151
  H      -1.732356      0.228173      1.510568
  H      -4.876910     -0.156580      6.052723
  H      -3.844127     -1.161601      7.099356
  H      -5.652325     -0.447144      8.444162
  H      -4.286477      0.593105      8.967191
  H      -7.232125      5.812300      8.118756
  H     -10.615109      5.475580      5.067806
  H     -11.695901      3.590773      3.819302
  H     -10.888055      1.258257      4.150763
  H      -9.008170      0.779742      5.685286
  N      -2.154844      2.822869      3.436692
  N      -1.902948      3.584919      2.430672
  H      -2.238656      4.555111      2.458879
  H      -1.633431      3.186205      1.531272
99
Coordinates from ORCA-job orca E -6706.988212535465
  N      -2.545045      3.454770      5.994970
  Mo     -2.588399      1.777068      4.875379
  N      -3.026979      0.693002      6.540638
  C      -1.893251      0.477977      7.438214
  C      -0.827690      1.553167      7.274729
  N      -0.581985      1.846332      5.828564
  C      -0.116761      3.245055      5.621721
  C      -1.292421      4.209656      5.898426
  C       0.353189      0.852978      5.217250
  C      -0.209692      0.452557      3.851777
  N      -1.616334      0.159483      4.030020
  H      -1.347475      4.956480      5.090963
  H      -1.119223      4.761666      6.835293
  H       0.201972      3.317532      4.573867
  H       0.756479      3.452546      6.263781
  H       0.349419     -0.411083      3.453741
  H      -0.093567      1.292968      3.146344
  H       0.388239     -0.026743      5.874279
  H       1.366032      1.279270      5.158107
  H      -2.197351      0.468485      8.500917
  H      -1.457158     -0.526353      7.246906
  H      -1.164464      2.481813      7.745789
  H       0.115820      1.250043      7.756536
  C      -3.355043      3.829671      7.132860
  C      -3.969541      5.215751      6.899250
  O      -4.956707      5.147414      5.846022
  C      -4.576361      5.401973      4.582640
  O      -3.484768      5.827059      4.228386
  C      -5.715966      5.110392      3.636934
  N      -6.436213      4.034322      3.913991
  C      -7.449456      3.740074      3.059020
  N      -7.813998      4.422731      1.990298
  C      -7.086769      5.541180      1.698845
  C      -7.438930      6.314350      0.565947
  C      -6.721623      7.450423      0.257496
  C      -5.634456      7.859210      1.067062
  C      -5.263233      7.125645      2.174418
  C      -5.975773      5.945858      2.511430
  C      -1.929916     -1.228912      4.280339
  C      -3.352825     -1.601961      3.819432
  O      -3.740006     -0.836967      2.637089
  C      -4.134090      0.402219      2.842808
  O      -4.396589      0.868963      3.976770
  C      -4.369555      1.161821      1.568908
  N      -5.564342      1.723862      1.485439
  C      -5.849637      2.373406      0.323279
  N      -5.049155      2.534161     -0.713903
  C      -3.797408      2.000890     -0.614743
  C      -2.876584      2.199430     -1.673790
  C      -1.595525      1.699206     -1.574887
  C      -1.187318      0.977938     -0.423908
  C      -2.064932      0.751662      0.617514
  C      -3.389196      1.257320      0.542205
  C      -4.170911     -0.128497      6.899841
  C      -4.952177      0.328877      8.132240
  O      -5.688986      1.543519      7.860934
  C      -6.939982      1.383362      7.379374
  O      -7.452358      0.299369      7.171752
  C      -7.605749      2.716540      7.135521
  N      -7.090092      3.751255      7.785907
  C      -7.662170      4.961025      7.571502
  N      -8.663587      5.239718      6.757862
  C      -9.209397      4.187761      6.082343
  C     -10.286585      4.440187      5.196970
  C     -10.878725      3.400408      4.519374
  C     -10.412860      2.076204      4.694925
  C      -9.355211      1.797025      5.535940
  C      -8.723874      2.845816      6.253334
  H      -2.773862      3.897093      8.077211
  H      -4.167367      3.109888      7.275661
  H      -3.208819      5.964486      6.642231
  H      -4.523487      5.531642      7.791465
  H      -8.019893      2.838429      3.293555
  H      -8.286458      5.985292     -0.036278
  H      -6.994772      8.047177     -0.614173
  H      -5.088355      8.768469      0.811940
  H      -4.425733      7.442678      2.793536
  H      -1.874772     -1.528335      5.347045
  H      -1.195132     -1.856284      3.743523
  H      -4.097155     -1.422296      4.595869
  H      -3.394911     -2.644527      3.498078
  H      -6.850155      2.809067      0.261191
  H      -3.212135      2.763460     -2.544706
  H      -0.883260      1.859573     -2.385414
  H      -0.165302      0.599321     -0.365683
  H      -1.749887      0.210680      1.510878
  H      -4.873045     -0.157682      6.057062
  H      -3.841721     -1.169789      7.100218
  H      -5.650874     -0.460076      8.439595
  H      -4.292047      0.582917      8.970115
  H      -7.234565      5.795083      8.137572
  H     -10.621435      5.471722      5.084890
  H     -11.710249      3.594814      3.841784
  H     -10.895832      1.263914      4.154571
  H      -9.003868      0.777308      5.667150
  N      -2.156998      2.820390      3.444888
  N      -1.906243      3.583542      2.439797
  H      -2.236323      4.552415      2.469482
  H      -1.634834      3.180605      1.537135
99
Coordinates from ORCA-job orca E -6706.988719468254
  N      -2.547028      3.451677      5.998872
  Mo     -2.584643      1.779566      4.872052
  N      -3.025686      0.687441      6.532114
  C      -1.892350      0.466099      7.427621
  C      -0.827735      1.542959      7.272626
  N      -0.580022      1.845878      5.829354
  C      -0.119352      3.247038      5.632532
  C      -1.296795      4.209573      5.911066
  C       0.357777      0.858660      5.212468
  C      -0.201635      0.467199      3.843313
  N      -1.608498      0.168314      4.017420
  H      -1.350770      4.961290      5.105254
  H      -1.127765      4.758292      6.854149
  H       0.200790      3.324992      4.588860
  H       0.749863      3.453054      6.276180
  H       0.360972     -0.391136      3.438330
  H      -0.086624      1.313328      3.144888
  H       0.392697     -0.025026      5.863447
  H       1.370213      1.287017      5.157680
  H      -2.197019      0.449646      8.489743
  H      -1.456440     -0.536012      7.228676
  H      -1.166482      2.468254      7.749364
  H       0.115508      1.236902      7.753574
  C      -3.362709      3.822313      7.135777
  C      -3.977955      5.209072      6.905853
  O      -4.961739      5.143739      5.848810
  C      -4.576718      5.396891      4.588436
  O      -3.482410      5.812834      4.239815
  C      -5.713186      5.110199      3.638020
  N      -6.440871      4.039804      3.916201
  C      -7.450029      3.745830      3.056676
  N      -7.804383      4.423699      1.982158
  C      -7.068822      5.535349      1.688275
  C      -7.408598      6.301089      0.546955
  C      -6.682781      7.429628      0.234397
  C      -5.599164      7.838284      1.048537
  C      -5.240009      7.112230      2.164519
  C      -5.961050      5.939478      2.505531
  C      -1.917459     -1.225346      4.250010
  C      -3.363109     -1.574508      3.849953
  O      -3.753816     -0.834800      2.650658
  C      -4.146074      0.410313      2.837266
  O      -4.399490      0.896908      3.961952
  C      -4.383054      1.158515      1.556670
  N      -5.578170      1.718244      1.468076
  C      -5.860288      2.369373      0.306903
  N      -5.056149      2.535540     -0.724246
  C      -3.804570      2.002226     -0.621657
  C      -2.880690      2.204045     -1.675854
  C      -1.599824      1.704060     -1.573756
  C      -1.194573      0.981391     -0.423362
  C      -2.074717      0.752139      0.613755
  C      -3.398841      1.256607      0.534292
  C      -4.175725     -0.123587      6.895894
  C      -4.945632      0.338646      8.135186
  O      -5.681241      1.553926      7.863922
  C      -6.938227      1.389040      7.387185
  O      -7.453441      0.300340      7.187306
  C      -7.610258      2.720917      7.143839
  N      -7.099427      3.759455      7.793267
  C      -7.680982      4.966210      7.584803
  N      -8.687972      5.239183      6.778521
  C      -9.228245      4.183845      6.102969
  C     -10.309964      4.429686      5.222436
  C     -10.893561      3.385442      4.538724
  C     -10.414944      2.063460      4.705218
  C      -9.354060      1.790911      5.544056
  C      -8.731178      2.844211      6.266419
  H      -2.785596      3.884702      8.083376
  H      -4.175610      3.100506      7.272101
  H      -3.216751      5.961471      6.654705
  H      -4.535560      5.519826      7.799201
  H      -8.026675      2.849158      3.293611
  H      -8.253552      5.972049     -0.058557
  H      -6.946062      8.020670     -0.644023
  H      -5.046119      8.741797      0.790135
  H      -4.405531      7.429888      2.787016
  H      -1.811417     -1.557942      5.305364
  H      -1.215230     -1.840335      3.658009
  H      -4.079844     -1.339364      4.643167
  H      -3.450754     -2.630686      3.568940
  H      -6.860821      2.804681      0.241658
  H      -3.214787      2.769519     -2.546134
  H      -0.885731      1.865738     -2.381523
  H      -0.172726      0.602923     -0.361960
  H      -1.761247      0.212182      1.507803
  H      -4.886074     -0.141437      6.058407
  H      -3.856145     -1.168419      7.091279
  H      -5.646148     -0.447421      8.448304
  H      -4.278816      0.592438      8.970186
  H      -7.254996      5.803206      8.146882
  H     -10.654083      5.459473      5.116164
  H     -11.727974      3.574459      3.863171
  H     -10.890554      1.247436      4.158291
  H      -8.992248      0.772892      5.667115
  N      -2.150659      2.827534      3.444646
  N      -1.896426      3.594081      2.442319
  H      -2.220444      4.567488      2.472806
  H      -1.619001      3.190955      1.540963
99
Coordinates from ORCA-job orca E -6706.988963571103
  N      -2.549184      3.451272      6.007227
  Mo     -2.579046      1.781061      4.876956
  N      -3.024608      0.683159      6.533234
  C      -1.892398      0.457904      7.429063
  C      -0.832271      1.540322      7.283837
  N      -0.577540      1.850336      5.842988
  C      -0.118783      3.254329      5.655135
  C      -1.302287      4.212505      5.922186
  C       0.363728      0.866664      5.226132
  C      -0.186280      0.484231      3.851821
  N      -1.592569      0.176704      4.017610
  H      -1.355715      4.956657      5.109649
  H      -1.139396      4.768856      6.861519
  H       0.213437      3.336214      4.614301
  H       0.744278      3.460848      6.309713
  H       0.383343     -0.366453      3.439304
  H      -0.073184      1.337790      3.161845
  H       0.392565     -0.020765      5.871759
  H       1.376524      1.294107      5.181142
  H      -2.198614      0.432301      8.490549
  H      -1.453370     -0.541181      7.221938
  H      -1.178997      2.462202      7.761598
  H       0.109616      1.236994      7.768656
  C      -3.371625      3.820241      7.139989
  C      -3.994693      5.202821      6.903602
  O      -4.979491      5.130234      5.848624
  C      -4.591436      5.384500      4.589394
  O      -3.496227      5.804182      4.241088
  C      -5.725286      5.100622      3.634722
  N      -6.460324      4.034142      3.912191
  C      -7.467102      3.742461      3.048033
  N      -7.812147      4.418577      1.968878
  C      -7.068164      5.525125      1.675003
  C      -7.397584      6.289057      0.528734
  C      -6.663170      7.412897      0.216384
  C      -5.580591      7.818203      1.035112
  C      -5.231578      7.093875      2.155969
  C      -5.962276      5.926510      2.497347
  C      -1.896637     -1.222843      4.216436
  C      -3.351836     -1.553610      3.862790
  O      -3.756398     -0.825640      2.658923
  C      -4.153711      0.418304      2.835331
  O      -4.395382      0.922124      3.955317
  C      -4.398085      1.155927      1.550145
  N      -5.593953      1.710672      1.458702
  C      -5.875177      2.361474      0.296828
  N      -5.069265      2.534432     -0.731083
  C      -3.817441      2.004177     -0.626356
  C      -2.892783      2.203493     -1.682870
  C      -1.613054      1.698962     -1.582730
  C      -1.208893      0.976540     -0.431034
  C      -2.089206      0.750176      0.608206
  C      -3.412577      1.256679      0.528978
  C      -4.177769     -0.124734      6.893132
  C      -4.948199      0.327590      8.136184
  O      -5.685713      1.544710      7.876649
  C      -6.935754      1.385419      7.383774
  O      -7.441506      0.301381      7.157888
  C      -7.605811      2.718476      7.151594
  N      -7.087826      3.751159      7.797337
  C      -7.666104      4.960087      7.594552
  N      -8.677464      5.239745      6.800066
  C      -9.224238      4.190268      6.126780
  C     -10.306727      4.443250      5.248106
  C     -10.889533      3.404649      4.552157
  C     -10.410952      2.081767      4.708163
  C      -9.351415      1.802626      5.549008
  C      -8.728040      2.849761      6.279681
  H      -2.797893      3.883923      8.089452
  H      -4.182522      3.094945      7.275564
  H      -3.237073      5.955064      6.648409
  H      -4.552945      5.516511      7.793356
  H      -8.048958      2.848571      3.284640
  H      -8.241806      5.962677     -0.080368
  H      -6.918428      8.002782     -0.665575
  H      -5.020274      8.718069      0.776493
  H      -4.397934      7.409037      2.782139
  H      -1.745732     -1.595382      5.252904
  H      -1.224582     -1.816704      3.569707
  H      -4.042999     -1.288929      4.664738
  H      -3.465563     -2.611423      3.606125
  H      -6.876847      2.789683      0.227257
  H      -3.226908      2.767748     -2.554967
  H      -0.898893      1.855495     -2.394883
  H      -0.188229      0.593307     -0.371007
  H      -1.776018      0.212269      1.503807
  H      -4.890592     -0.130093      6.057893
  H      -3.864099     -1.173052      7.079433
  H      -5.648683     -0.461794      8.441267
  H      -4.283039      0.574154      8.973899
  H      -7.232890      5.792881      8.152192
  H     -10.649952      5.473564      5.147226
  H     -11.722668      3.599082      3.872115
  H     -10.884460      1.270205      4.147925
  H      -8.987865      0.784087      5.661204
  N      -2.145986      2.833145      3.453619
  N      -1.888374      3.602316      2.454108
  H      -2.211239      4.574734      2.482136
  H      -1.597368      3.197905      1.556675
99
Coordinates from ORCA-job orca E -6706.989070734558
  N      -2.545425      3.450466      6.007660
  Mo     -2.582502      1.782663      4.876582
  N      -3.020785      0.687480      6.537742
  C      -1.882323      0.458657      7.425533
  C      -0.822324      1.541720      7.275225
  N      -0.576014      1.851705      5.832720
  C      -0.119001      3.255073      5.638073
  C      -1.299913      4.210739      5.917489
  C       0.361257      0.868019      5.210571
  C      -0.193345      0.491159      3.836825
  N      -1.599245      0.181857      4.004772
  H      -1.358104      4.952912      5.109376
  H      -1.129975      4.763735      6.853127
  H       0.196995      3.334085      4.590890
  H       0.754132      3.464815      6.278436
  H       0.375512     -0.355826      3.416680
  H      -0.083141      1.347956      3.150807
  H       0.389351     -0.021359      5.853606
  H       1.375116      1.293584      5.164104
  H      -2.181106      0.430779      8.489503
  H      -1.445720     -0.540487      7.211939
  H      -1.165761      2.463621      7.755622
  H       0.122575      1.237560      7.754456
  C      -3.366243      3.817015      7.139836
  C      -3.994889      5.196355      6.909198
  O      -4.970013      5.121281      5.843703
  C      -4.576078      5.383235      4.590736
  O      -3.479566      5.804643      4.254203
  C      -5.704362      5.107624      3.626960
  N      -6.457821      4.055561      3.907697
  C      -7.465895      3.775962      3.042398
  N      -7.798573      4.453964      1.960648
  C      -7.035519      5.545783      1.662837
  C      -7.351485      6.311043      0.513630
  C      -6.597514      7.419776      0.195766
  C      -5.507969      7.807604      1.011429
  C      -5.172017      7.082027      2.135529
  C      -5.923621      5.930462      2.483551
  C      -1.900541     -1.220338      4.184401
  C      -3.364979     -1.540312      3.871710
  O      -3.791592     -0.817656      2.670539
  C      -4.185551      0.426597      2.840958
  O      -4.409583      0.947602      3.954557
  C      -4.429169      1.155938      1.550570
  N      -5.624506      1.708361      1.448895
  C      -5.894744      2.361235      0.284992
  N      -5.078499      2.538302     -0.734390
  C      -3.828130      2.009515     -0.617954
  C      -2.894363      2.211061     -1.664523
  C      -1.616749      1.707106     -1.551540
  C      -1.222533      0.984663     -0.396514
  C      -2.111454      0.756273      0.633015
  C      -3.433528      1.260967      0.540021
  C      -4.177397     -0.110328      6.910252
  C      -4.937085      0.349218      8.157545
  O      -5.685358      1.558965      7.893089
  C      -6.933929      1.384323      7.401874
  O      -7.431106      0.292484      7.189462
  C      -7.616378      2.710270      7.158463
  N      -7.114515      3.752537      7.808266
  C      -7.707245      4.954631      7.599994
  N      -8.721601      5.218268      6.799777
  C      -9.252301      4.159002      6.123198
  C     -10.340820      4.395221      5.247595
  C     -10.912318      3.347069      4.561303
  C     -10.413163      2.030937      4.718730
  C      -9.346483      1.767766      5.553185
  C      -8.737645      2.824733      6.279960
  H      -2.793189      3.879011      8.089579
  H      -4.173818      3.090043      7.273082
  H      -3.240950      5.961437      6.668254
  H      -4.566053      5.494473      7.800430
  H      -8.061508      2.892129      3.281537
  H      -8.201155      5.997806     -0.093051
  H      -6.842186      8.010803     -0.688292
  H      -4.931544      8.695379      0.747994
  H      -4.332882      7.383407      2.758851
  H      -1.710781     -1.618260      5.205146
  H      -1.255788     -1.798965      3.496674
  H      -4.034269     -1.261271      4.685225
  H      -3.495554     -2.597741      3.626648
  H      -6.895812      2.788279      0.206338
  H      -3.220639      2.776549     -2.538827
  H      -0.896460      1.865715     -2.355316
  H      -0.203073      0.602958     -0.325243
  H      -1.804732      0.222104      1.533090
  H      -4.897791     -0.111690      6.081207
  H      -3.871563     -1.160852      7.096176
  H      -5.629995     -0.441979      8.476237
  H      -4.265733      0.608197      8.986877
  H      -7.287325      5.795697      8.163680
  H     -10.700479      5.420608      5.147322
  H     -11.752657      3.528477      3.889782
  H     -10.878195      1.212529      4.168385
  H      -8.969421      0.754035      5.669813
  N      -2.162427      2.838292      3.454491
  N      -1.907948      3.609546      2.455504
  H      -2.223563      4.586055      2.489137
  H      -1.632655      3.210871      1.555344
99
Coordinates from ORCA-job orca E -6706.989005162738
  N      -2.553717      3.449921      6.015844
  Mo     -2.586462      1.780784      4.874951
  N      -3.022773      0.680199      6.533139
  C      -1.882827      0.449450      7.419472
  C      -0.827985      1.536726      7.272515
  N      -0.584725      1.852207      5.830990
  C      -0.127989      3.257119      5.644200
  C      -1.308450      4.213165      5.934729
  C       0.354520      0.870713      5.207772
  C      -0.198831      0.497066      3.832722
  N      -1.603587      0.183135      4.000587
  H      -1.364783      4.972741      5.137584
  H      -1.139104      4.752363      6.882720
  H       0.191053      3.345181      4.599738
  H       0.742453      3.457865      6.287801
  H       0.372972     -0.346185      3.406916
  H      -0.093877      1.357556      3.149213
  H       0.380393     -0.022855      5.847100
  H       1.369662      1.295318      5.168060
  H      -2.179809      0.415043      8.483099
  H      -1.443425     -0.547968      7.200848
  H      -1.174927      2.455599      7.754688
  H       0.118646      1.234713      7.748425
  C      -3.379869      3.807243      7.148962
  C      -4.016008      5.183716      6.919592
  O      -4.991840      5.102993      5.855590
  C      -4.602175      5.377452      4.601439
  O      -3.510723      5.816032      4.261376
  C      -5.725394      5.081880      3.637855
  N      -6.457723      4.014320      3.915974
  C      -7.460143      3.716287      3.050817
  N      -7.808007      4.391827      1.973036
  C      -7.067678      5.500064      1.678789
  C      -7.402073      6.264260      0.535205
  C      -6.670475      7.388869      0.221016
  C      -5.585511      7.793803      1.034230
  C      -5.231923      7.069733      2.152668
  C      -5.961264      5.902800      2.497380
  C      -1.902527     -1.220019      4.175294
  C      -3.374999     -1.535206      3.878092
  O      -3.801951     -0.821062      2.669354
  C      -4.191764      0.425071      2.835235
  O      -4.409084      0.946418      3.951077
  C      -4.434570      1.150049      1.540414
  N      -5.631759      1.703402      1.432887
  C      -5.893823      2.357431      0.267405
  N      -5.067381      2.533839     -0.747417
  C      -3.816461      2.003492     -0.624189
  C      -2.873166      2.209162     -1.660466
  C      -1.596455      1.706082     -1.537118
  C      -1.210340      0.982147     -0.381377
  C      -2.107160      0.753491      0.640536
  C      -3.429552      1.256167      0.536852
  C      -4.180665     -0.114160      6.905900
  C      -4.932110      0.348388      8.156116
  O      -5.672344      1.562280      7.894377
  C      -6.922950      1.395656      7.402970
  O      -7.438080      0.306369      7.204420
  C      -7.582647      2.727432      7.149402
  N      -7.075881      3.758251      7.813873
  C      -7.650693      4.966418      7.605881
  N      -8.651884      5.245491      6.793205
  C      -9.187301      4.198377      6.100899
  C     -10.264626      4.451947      5.217204
  C     -10.842711      3.417005      4.518183
  C     -10.361252      2.096558      4.669097
  C      -9.306876      1.816003      5.512537
  C      -8.692092      2.859373      6.255261
  H      -2.808273      3.869383      8.098988
  H      -4.184225      3.074705      7.280561
  H      -3.268694      5.949636      6.675543
  H      -4.587372      5.480713      7.807813
  H      -8.034761      2.817698      3.285317
  H      -8.247538      5.937771     -0.070207
  H      -6.929783      7.979200     -0.658279
  H      -5.026978      8.693711      0.773165
  H      -4.396713      7.384270      2.774592
  H      -1.698161     -1.624890      5.189562
  H      -1.270349     -1.796353      3.475706
  H      -4.039164     -1.247076      4.696437
  H      -3.514798     -2.594176      3.640080
  H      -6.896896      2.787848      0.185694
  H      -3.191173      2.777870     -2.534430
  H      -0.869882      1.870726     -2.331236
  H      -0.191090      0.602100     -0.301906
  H      -1.807098      0.224365      1.544999
  H      -4.902934     -0.112071      6.078876
  H      -3.880176     -1.166420      7.089251
  H      -5.627606     -0.438176      8.478217
  H      -4.256269      0.605177      8.981888
  H      -7.225948      5.797638      8.180665
  H     -10.612498      5.479647      5.122804
  H     -11.675133      3.612118      3.843369
  H     -10.831400      1.288920      4.108913
  H      -8.945243      0.799030      5.626586
  N      -2.161966      2.835814      3.453655
  N      -1.905170      3.607834      2.456810
  H      -2.219721      4.583012      2.492805
  H      -1.640219      3.204292      1.554184
99
Coordinates from ORCA-job orca E -6706.989170769910
  N      -2.548732      3.456243      6.008305
  Mo     -2.578876      1.779794      4.877731
  N      -3.023305      0.682530      6.536394
  C      -1.886418      0.449574      7.425507
  C      -0.832823      1.537961      7.285611
  N      -0.579553      1.853720      5.844936
  C      -0.117397      3.258499      5.668284
  C      -1.303337      4.218120      5.928158
  C       0.363877      0.871399      5.229175
  C      -0.182269      0.493352      3.852569
  N      -1.587033      0.179763      4.018413
  H      -1.353649      4.966678      5.116456
  H      -1.144030      4.773144      6.871294
  H       0.234344      3.347347      4.634747
  H       0.733522      3.456574      6.338841
  H       0.390950     -0.350990      3.431601
  H      -0.074346      1.352077      3.166327
  H       0.385424     -0.021031      5.870625
  H       1.379524      1.295826      5.195213
  H      -2.187065      0.410923      8.487852
  H      -1.445133     -0.546033      7.204362
  H      -1.186603      2.455905      7.764718
  H       0.111846      1.239785      7.767917
  C      -3.376951      3.819936      7.137256
  C      -4.004157      5.198661      6.901966
  O      -4.983444      5.123546      5.840405
  C      -4.595010      5.389488      4.583858
  O      -3.497523      5.807919      4.241000
  C      -5.725624      5.111864      3.622151
  N      -6.482995      4.063270      3.907539
  C      -7.491294      3.781708      3.042318
  N      -7.822446      4.456585      1.957890
  C      -7.055634      5.544616      1.654863
  C      -7.369152      6.305065      0.501448
  C      -6.610416      7.409263      0.178259
  C      -5.518895      7.797776      0.992781
  C      -5.185336      7.076882      2.120646
  C      -5.941818      5.929595      2.474004
  C      -1.891253     -1.224563      4.186056
  C      -3.352616     -1.551084      3.852936
  O      -3.769363     -0.820030      2.651586
  C      -4.167989      0.423624      2.826583
  O      -4.394786      0.932574      3.946519
  C      -4.417727      1.153645      1.535944
  N      -5.615953      1.706819      1.439356
  C      -5.888149      2.364680      0.279536
  N      -5.070257      2.545703     -0.740489
  C      -3.818662      2.012987     -0.631328
  C      -2.886018      2.217081     -1.678756
  C      -1.610501      1.705604     -1.574475
  C      -1.214508      0.977372     -0.424887
  C      -2.100254      0.752656      0.608836
  C      -3.421730      1.261152      0.523364
  C      -4.180840     -0.115306      6.903470
  C      -4.937180      0.338958      8.154849
  O      -5.682216      1.554333      7.904302
  C      -6.929859      1.386776      7.401206
  O      -7.427258      0.297451      7.174484
  C      -7.609622      2.714600      7.168739
  N      -7.100286      3.752448      7.817701
  C      -7.690385      4.956233      7.617801
  N      -8.707439      5.225473      6.823911
  C      -9.246019      4.170503      6.148347
  C     -10.337610      4.412419      5.277945
  C     -10.914156      3.369129      4.587455
  C     -10.419195      2.051647      4.738286
  C      -9.351482      1.782802      5.570618
  C      -8.735519      2.835123      6.298499
  H      -2.809372      3.884104      8.090012
  H      -4.183417      3.090711      7.268294
  H      -3.253034      5.957654      6.651011
  H      -4.567759      5.504332      7.790532
  H      -8.088881      2.900328      3.285129
  H      -8.220044      5.991631     -0.104985
  H      -6.853315      7.996387     -0.709055
  H      -4.938964      8.681982      0.724650
  H      -4.344979      7.378373      2.743779
  H      -1.712018     -1.621187      5.207404
  H      -1.240868     -1.804646      3.506670
  H      -4.036870     -1.288948      4.665740
  H      -3.474148     -2.608137      3.589361
  H      -6.892485      2.794020      0.208263
  H      -3.211548      2.788085     -2.548188
  H      -0.892672      1.865751     -2.379924
  H      -0.196646      0.589741     -0.360699
  H      -1.792404      0.217472      1.506721
  H      -4.900615     -0.114385      6.074006
  H      -3.876966     -1.167617      7.084375
  H      -5.631386     -0.451457      8.470578
  H      -4.263201      0.590429      8.983729
  H      -7.260828      5.793350      8.174068
  H     -10.695409      5.437889      5.182485
  H     -11.755545      3.555342      3.917871
  H     -10.887724      1.236801      4.183620
  H      -8.977519      0.768308      5.681739
  N      -2.147666      2.828942      3.450764
  N      -1.887397      3.596433      2.451433
  H      -2.208727      4.570301      2.478486
  H      -1.601697      3.191169      1.555679
99
Coordinates from ORCA-job orca E -6706.988975348366
  N      -2.534353      3.465563      6.015196
  Mo     -2.598886      1.799049      4.878610
  N      -3.024654      0.697556      6.538480
  C      -1.878678      0.461199      7.415361
  C      -0.816169      1.540940      7.258113
  N      -0.585256      1.849865      5.812284
  C      -0.113910      3.247765      5.615450
  C      -1.282343      4.213842      5.921870
  C       0.338519      0.858689      5.181163
  C      -0.231837      0.488967      3.811374
  N      -1.638826      0.191054      3.995057
  H      -1.342593      4.974701      5.131777
  H      -1.096106      4.744162      6.867067
  H       0.191747      3.327858      4.563154
  H       0.770960      3.444284      6.247675
  H       0.325071     -0.361492      3.382315
  H      -0.121538      1.346756      3.125961
  H       0.360959     -0.033876      5.820864
  H       1.357490      1.272840      5.131343
  H      -2.167800      0.429071      8.481671
  H      -1.446820     -0.538306      7.194327
  H      -1.151228      2.463770      7.743365
  H       0.133807      1.233625      7.725109
  C      -3.344828      3.829121      7.156227
  C      -3.978723      5.206973      6.928100
  O      -4.950617      5.124863      5.859915
  C      -4.557258      5.391243      4.607375
  O      -3.464848      5.828151      4.273330
  C      -5.677131      5.095034      3.638660
  N      -6.414996      4.030118      3.915521
  C      -7.409340      3.728008      3.040813
  N      -7.744330      4.396438      1.954099
  C      -6.998489      5.501510      1.659589
  C      -7.317604      6.255262      0.503553
  C      -6.580232      7.376241      0.188490
  C      -5.505580      7.788739      1.014409
  C      -5.166683      7.074680      2.144749
  C      -5.900602      5.910105      2.489861
  C      -1.948895     -1.209812      4.183556
  C      -3.418751     -1.520025      3.879059
  O      -3.835956     -0.799852      2.675488
  C      -4.216856      0.451261      2.847328
  O      -4.437619      0.967737      3.962583
  C      -4.455256      1.181045      1.555720
  N      -5.655543      1.713670      1.433853
  C      -5.917524      2.359682      0.262915
  N      -5.088521      2.547940     -0.742155
  C      -3.834053      2.034221     -0.606109
  C      -2.887821      2.237189     -1.642442
  C      -1.609736      1.736798     -1.513880
  C      -1.224584      1.021209     -0.351071
  C      -2.124250      0.795697      0.670250
  C      -3.448011      1.292374      0.559150
  C      -4.177754     -0.104414      6.911349
  C      -4.931635      0.352261      8.162271
  O      -5.684878      1.560856      7.904343
  C      -6.933699      1.385299      7.417461
  O      -7.425715      0.294110      7.206719
  C      -7.618581      2.709295      7.168472
  N      -7.119206      3.756810      7.806370
  C      -7.710911      4.957440      7.584971
  N      -8.720890      5.214701      6.781074
  C      -9.248651      4.149490      6.115985
  C     -10.328643      4.378145      5.227503
  C     -10.888405      3.324366      4.536833
  C     -10.388381      2.009526      4.707468
  C      -9.332387      1.753683      5.559394
  C      -8.733522      2.816700      6.285724
  H      -2.761974      3.893023      8.100787
  H      -4.150454      3.101520      7.298917
  H      -3.230899      5.974866      6.686681
  H      -4.552788      5.502305      7.815140
  H      -7.990402      2.833115      3.276257
  H      -8.155488      5.923128     -0.111731
  H      -6.827466      7.958130     -0.701074
  H      -4.942926      8.686306      0.753163
  H      -4.339596      7.395278      2.776799
  H      -1.758818     -1.598959      5.205689
  H      -1.312091     -1.801473      3.500845
  H      -4.088361     -1.238374      4.693850
  H      -3.554233     -2.578036      3.633495
  H      -6.923604      2.767096      0.165751
  H      -3.204084      2.796270     -2.524964
  H      -0.880997      1.893119     -2.312726
  H      -0.204206      0.642587     -0.269142
  H      -1.826611      0.266916      1.576580
  H      -4.897942     -0.109380      6.082150
  H      -3.869335     -1.155232      7.093895
  H      -5.616839     -0.440648      8.488834
  H      -4.255031      0.616619      8.984302
  H      -7.289224      5.802926      8.132994
  H     -10.689032      5.402207      5.114104
  H     -11.718963      3.500305      3.848557
  H     -10.842282      1.186097      4.150010
  H      -8.954093      0.740984      5.685196
  N      -2.180356      2.859503      3.456683
  N      -1.927411      3.635864      2.460058
  H      -2.244885      4.610549      2.503515
  H      -1.683988      3.232922      1.546287
99
Coordinates from ORCA-job orca E -6706.989295954777
  N      -2.540183      3.458324      6.012705
  Mo     -2.583511      1.786482      4.880603
  N      -3.022454      0.687123      6.539046
  C      -1.882515      0.449599      7.422475
  C      -0.824845      1.534229      7.277936
  N      -0.579354      1.849339      5.836053
  C      -0.113106      3.251272      5.653743
  C      -1.291649      4.213562      5.927054
  C       0.356502      0.864053      5.213506
  C      -0.197938      0.491346      3.838852
  N      -1.603890      0.184725      4.009611
  H      -1.344463      4.962092      5.121938
  H      -1.122206      4.762050      6.867980
  H       0.222993      3.336193      4.614455
  H       0.748825      3.449170      6.311238
  H       0.369051     -0.355458      3.415108
  H      -0.087124      1.350139      3.154541
  H       0.377972     -0.028803      5.852700
  H       1.373234      1.284089      5.174387
  H      -2.179032      0.412230      8.486474
  H      -1.445890     -0.547607      7.199520
  H      -1.171365      2.453619      7.760959
  H       0.121441      1.231549      7.754516
  C      -3.360666      3.821219      7.147197
  C      -3.999008      5.196547      6.913059
  O      -4.973715      5.111947      5.848103
  C      -4.584427      5.376135      4.594748
  O      -3.490302      5.802595      4.255438
  C      -5.711892      5.091902      3.632121
  N      -6.464194      4.039943      3.917251
  C      -7.469596      3.752261      3.051694
  N      -7.801997      4.423403      1.966075
  C      -7.040567      5.514730      1.663020
  C      -7.356776      6.271611      0.508913
  C      -6.604119      7.379377      0.185041
  C      -5.516078      7.774928      0.999688
  C      -5.179925      7.057682      2.128268
  C      -5.930037      5.906687      2.482704
  C      -1.910659     -1.219103      4.177225
  C      -3.374563     -1.537034      3.860517
  O      -3.798387     -0.807493      2.661480
  C      -4.190888      0.438073      2.835065
  O      -4.410306      0.954449      3.952177
  C      -4.437771      1.167319      1.544265
  N      -5.637152      1.708674      1.437219
  C      -5.905685      2.363704      0.273919
  N      -5.083649      2.552944     -0.738355
  C      -3.830712      2.030513     -0.618258
  C      -2.893415      2.236012     -1.661757
  C      -1.616842      1.729379     -1.548759
  C      -1.224444      1.004774     -0.394667
  C      -2.115094      0.777453      0.633868
  C      -3.437569      1.280393      0.539211
  C      -4.181263     -0.106567      6.910802
  C      -4.932906      0.356062      8.160796
  O      -5.680053      1.566914      7.902003
  C      -6.925788      1.393364      7.401589
  O      -7.421416      0.301685      7.183356
  C      -7.605650      2.719624      7.157637
  N      -7.103167      3.760205      7.808795
  C      -7.694152      4.962693      7.600972
  N      -8.707958      5.227743      6.800626
  C      -9.239676      4.170141      6.123127
  C     -10.328163      4.408091      5.248081
  C     -10.898428      3.362359      4.556961
  C     -10.398984      2.046509      4.709925
  C      -9.333962      1.781420      5.545982
  C      -8.725698      2.836056      6.277338
  H      -2.784944      3.889146      8.095273
  H      -4.164341      3.089370      7.286378
  H      -3.252364      5.964851      6.668013
  H      -4.572572      5.494455      7.800224
  H      -8.061688      2.866576      3.292802
  H      -8.205070      5.952744     -0.097229
  H      -6.849203      7.963805     -0.702802
  H      -4.940955      8.662253      0.731521
  H      -4.342736      7.365167      2.751752
  H      -1.719530     -1.620902      5.195455
  H      -1.269199     -1.797925      3.487500
  H      -4.049557     -1.269798      4.675231
  H      -3.501207     -2.592769      3.602274
  H      -6.910683      2.781001      0.191494
  H      -3.215882      2.802738     -2.536432
  H      -0.895279      1.888110     -2.352773
  H      -0.205569      0.620844     -0.324168
  H      -1.810420      0.242748      1.533918
  H      -4.902027     -0.106606      6.082232
  H      -3.880898     -1.158843      7.094567
  H      -5.623007     -0.433672      8.487312
  H      -4.255129      0.618081      8.983765
  H      -7.272511      5.802246      8.164590
  H     -10.689161      5.432764      5.150797
  H     -11.737976      3.545410      3.885296
  H     -10.862337      1.229891      4.154885
  H      -8.957529      0.767849      5.660154
  N      -2.157750      2.841373      3.457859
  N      -1.899192      3.613679      2.460635
  H      -2.216513      4.588459      2.496003
  H      -1.632274      3.211615      1.556978
99
Coordinates from ORCA-job orca E -6706.989210487880
  N      -2.552361      3.460658      6.016590
  Mo     -2.592819      1.785833      4.882705
  N      -3.020301      0.680976      6.540078
  C      -1.875572      0.448023      7.420136
  C      -0.824742      1.538900      7.274227
  N      -0.586329      1.857751      5.831342
  C      -0.123865      3.262005      5.650591
  C      -1.305453      4.221026      5.932312
  C       0.351605      0.876512      5.205327
  C      -0.207283      0.504410      3.831855
  N      -1.610849      0.189767      4.007984
  H      -1.360442      4.978822      5.132581
  H      -1.136933      4.763065      6.878378
  H       0.211376      3.353463      4.609238
  H       0.739158      3.456726      6.308849
  H       0.361749     -0.338211      3.403166
  H      -0.105149      1.365644      3.148668
  H       0.377482     -0.018732      5.843204
  H       1.367974      1.300051      5.165895
  H      -2.168201      0.406160      8.484656
  H      -1.434034     -0.546226      7.194291
  H      -1.175439      2.454943      7.758740
  H       0.125443      1.241107      7.746757
  C      -3.377955      3.822995      7.145177
  C      -4.008756      5.199005      6.910239
  O      -4.980555      5.121920      5.840629
  C      -4.584767      5.396024      4.586696
  O      -3.487583      5.825187      4.253363
  C      -5.708250      5.118232      3.615600
  N      -6.474363      4.076551      3.900847
  C      -7.482240      3.801769      3.033129
  N      -7.805920      4.478369      1.947059
  C      -7.029075      5.558946      1.643297
  C      -7.334017      6.320570      0.487643
  C      -6.565027      7.417103      0.162829
  C      -5.471432      7.796422      0.977911
  C      -5.146522      7.074650      2.108493
  C      -5.913762      5.935198      2.464025
  C      -1.909292     -1.214907      4.178145
  C      -3.380305     -1.532612      3.878634
  O      -3.806256     -0.815693      2.671409
  C      -4.200269      0.428923      2.840319
  O      -4.417584      0.944156      3.958143
  C      -4.451319      1.151289      1.545947
  N      -5.654006      1.694496      1.440215
  C      -5.921763      2.347742      0.276458
  N      -5.095865      2.531575     -0.738209
  C      -3.840658      2.008881     -0.617997
  C      -2.899884      2.218413     -1.656030
  C      -1.621623      1.718019     -1.537066
  C      -1.230260      0.995746     -0.382589
  C      -2.123597      0.767111      0.642449
  C      -3.447861      1.264546      0.542307
  C      -4.173097     -0.121031      6.913621
  C      -4.923940      0.334761      8.167340
  O      -5.675626      1.545738      7.914773
  C      -6.921025      1.371493      7.414362
  O      -7.417443      0.279340      7.200077
  C      -7.601163      2.696620      7.169438
  N      -7.097158      3.737933      7.816347
  C      -7.687286      4.939545      7.606828
  N      -8.700389      5.203006      6.806656
  C      -9.232957      4.144324      6.132269
  C     -10.319486      4.380284      5.254539
  C     -10.889024      3.333341      4.563862
  C     -10.392233      2.017943      4.722162
  C      -9.329949      1.754610      5.562512
  C      -8.721153      2.810911      6.290765
  H      -2.808717      3.891306      8.095893
  H      -4.182305      3.092146      7.277903
  H      -3.258924      5.963060      6.667862
  H      -4.581507      5.498067      7.796340
  H      -8.087505      2.925790      3.275644
  H      -8.186568      6.014188     -0.119156
  H      -6.801275      8.004886     -0.726464
  H      -4.883071      8.674362      0.708252
  H      -4.304477      7.368371      2.731714
  H      -1.704347     -1.619205      5.193132
  H      -1.274028     -1.790558      3.480832
  H      -4.049583     -1.252664      4.697546
  H      -3.513877     -2.591896      3.633029
  H      -6.929047      2.771208      0.198472
  H      -3.220390      2.785512     -2.529367
  H      -0.897830      1.883626     -2.333845
  H      -0.209931      0.617643     -0.307131
  H      -1.820420      0.237901      1.545590
  H      -4.896141     -0.123965      6.087065
  H      -3.865301     -1.172564      7.094217
  H      -5.610691     -0.457381      8.493814
  H      -4.244892      0.595552      8.988500
  H      -7.263026      5.779585      8.164122
  H     -10.679086      5.404223      5.153214
  H     -11.726114      3.515134      3.888156
  H     -10.854824      1.200204      4.166928
  H      -8.955105      0.741516      5.679954
  N      -2.170327      2.837854      3.457222
  N      -1.916432      3.609747      2.459287
  H      -2.237590      4.584651      2.497666
  H      -1.653701      3.210889      1.554786
99
Coordinates from ORCA-job orca E -6706.989355018804
  N      -2.542520      3.460139      6.015512
  Mo     -2.586989      1.788367      4.880775
  N      -3.022649      0.685348      6.537320
  C      -1.880664      0.446459      7.418231
  C      -0.825137      1.533207      7.274647
  N      -0.582364      1.851063      5.832861
  C      -0.115256      3.253302      5.653212
  C      -1.293845      4.216303      5.931029
  C       0.353047      0.866687      5.207803
  C      -0.203939      0.495240      3.833425
  N      -1.609361      0.188128      4.007138
  H      -1.346819      4.970744      5.128998
  H      -1.124237      4.760609      6.875751
  H       0.222009      3.341612      4.613807
  H       0.746531      3.447615      6.312464
  H       0.362306     -0.351344      3.407845
  H      -0.094982      1.354921      3.149273
  H       0.375576     -0.027562      5.845998
  H       1.369987      1.286915      5.168683
  H      -2.175287      0.405570      8.482427
  H      -1.442951     -0.549592      7.192074
  H      -1.172981      2.451023      7.759170
  H       0.122370      1.231736      7.749175
  C      -3.363524      3.821324      7.150176
  C      -4.001533      5.196184      6.917333
  O      -4.973981      5.112781      5.850173
  C      -4.582428      5.384316      4.597067
  O      -3.488224      5.816732      4.261544
  C      -5.706378      5.096853      3.630464
  N      -6.461238      4.046697      3.916595
  C      -7.464560      3.757269      3.048880
  N      -7.793194      4.425713      1.960163
  C      -7.028547      5.514539      1.655142
  C      -7.339459      6.266898      0.496241
  C      -6.583137      7.371670      0.169757
  C      -5.496670      7.768708      0.986598
  C      -5.165600      7.055791      2.119724
  C      -5.919425      5.907749      2.476963
  C      -1.915495     -1.216206      4.173052
  C      -3.382104     -1.532329      3.863957
  O      -3.807093     -0.805677      2.662793
  C      -4.198707      0.440541      2.834489
  O      -4.414992      0.958343      3.951528
  C      -4.446543      1.167428      1.541972
  N      -5.648161      1.707374      1.433258
  C      -5.914918      2.362210      0.269148
  N      -5.089129      2.552009     -0.742097
  C      -3.834717      2.031225     -0.619625
  C      -2.894642      2.240532     -1.659008
  C      -1.617272      1.737234     -1.542004
  C      -1.226275      1.012553     -0.387806
  C      -2.119195      0.783026      0.637788
  C      -3.442854      1.282784      0.539431
  C      -4.181411     -0.107695      6.910792
  C      -4.929127      0.354285      8.164025
  O      -5.678388      1.565165      7.908682
  C      -6.924474      1.391122      7.407858
  O      -7.418512      0.299194      7.188217
  C      -7.606381      2.716253      7.164706
  N      -7.104157      3.758170      7.812736
  C      -7.696756      4.959459      7.604598
  N      -8.711641      5.222186      6.805571
  C      -9.242707      4.163048      6.130556
  C     -10.331429      4.398292      5.254548
  C     -10.899564      3.351173      4.563473
  C     -10.398375      2.036474      4.718516
  C      -9.333702      1.773919      5.556489
  C      -8.727070      2.830115      6.286459
  H      -2.788643      3.890062      8.098510
  H      -4.166185      3.089068      7.288195
  H      -3.256170      5.964347      6.674111
  H      -4.575378      5.491862      7.803767
  H      -8.059578      2.874073      3.291994
  H      -8.186547      5.946803     -0.111765
  H      -6.824066      7.952461     -0.721889
  H      -4.918525      8.653568      0.716290
  H      -4.329421      7.364102      2.744842
  H      -1.718620     -1.620740      5.188558
  H      -1.278136     -1.793814      3.479043
  H      -4.054746     -1.260698      4.681344
  H      -3.512656     -2.589588      3.608831
  H      -6.921641      2.779358      0.185676
  H      -3.215232      2.808239     -2.533087
  H      -0.894137      1.900285     -2.341663
  H      -0.206633      0.631927     -0.313945
  H      -1.815748      0.249912      1.539207
  H      -4.904282     -0.106437      6.083892
  H      -3.881180     -1.160791      7.092103
  H      -5.616997     -0.435385      8.494152
  H      -4.248072      0.616591      8.983663
  H      -7.273214      5.800130      8.161651
  H     -10.693793      5.422004      5.155290
  H     -11.738590      3.532313      3.889565
  H     -10.859628      1.218656      4.162922
  H      -8.955697      0.761241      5.671682
  N      -2.159571      2.842117      3.457361
  N      -1.900914      3.615005      2.460868
  H      -2.218315      4.589511      2.498587
  H      -1.640550      3.213203      1.555072
99
Coordinates from ORCA-job orca E -6706.989366640313
  N      -2.541314      3.462124      6.018266
  Mo     -2.586997      1.789333      4.885689
  N      -3.021357      0.683650      6.540865
  C      -1.879241      0.444579      7.421505
  C      -0.824578      1.532398      7.279133
  N      -0.581619      1.851819      5.837350
  C      -0.112779      3.254067      5.660184
  C      -1.291958      4.216598      5.931717
  C       0.353537      0.867640      5.211360
  C      -0.203823      0.497460      3.836779
  N      -1.609244      0.190125      4.010779
  H      -1.344388      4.965202      5.127250
  H      -1.122852      4.764654      6.871874
  H       0.230620      3.343189      4.622175
  H       0.745824      3.447679      6.324784
  H       0.362225     -0.348747      3.410727
  H      -0.094817      1.357657      3.153668
  H       0.376001     -0.027155      5.848686
  H       1.370608      1.287736      5.172590
  H      -2.173961      0.402277      8.485812
  H      -1.440858     -0.550917      7.194499
  H      -1.173941      2.449457      7.764264
  H       0.123465      1.231972      7.753792
  C      -3.361495      3.824946      7.152149
  C      -4.000672      5.199110      6.915803
  O      -4.972383      5.113346      5.847885
  C      -4.579828      5.378640      4.594755
  O      -3.484558      5.805585      4.258716
  C      -5.705037      5.094620      3.628843
  N      -6.464519      4.048719      3.917018
  C      -7.470361      3.763898      3.051063
  N      -7.797008      4.432961      1.962230
  C      -7.027277      5.517214      1.654952
  C      -7.336159      6.270295      0.496127
  C      -6.575210      7.370958      0.167511
  C      -5.486122      7.763299      0.982325
  C      -5.157171      7.049813      2.115614
  C      -5.915458      5.905543      2.474840
  C      -1.914776     -1.214399      4.174623
  C      -3.381724     -1.528512      3.867814
  O      -3.805585     -0.803365      2.665810
  C      -4.198901      0.441823      2.838045
  O      -4.415147      0.957728      3.955406
  C      -4.451621      1.167646      1.546509
  N      -5.655734      1.698376      1.438057
  C      -5.928039      2.350598      0.274061
  N      -5.105717      2.546976     -0.736784
  C      -3.848780      2.034115     -0.615609
  C      -2.911894      2.244695     -1.658703
  C      -1.632743      1.744539     -1.545404
  C      -1.236714      1.022682     -0.390815
  C      -2.126355      0.792286      0.638082
  C      -3.451473      1.287604      0.542546
  C      -4.179000     -0.111636      6.913205
  C      -4.928824      0.350744      8.164371
  O      -5.678366      1.560992      7.907895
  C      -6.920685      1.386504      7.400678
  O      -7.412609      0.294424      7.177435
  C      -7.602303      2.711763      7.156956
  N      -7.100578      3.752865      7.807090
  C      -7.692491      4.954530      7.599063
  N      -8.706430      5.218368      6.799116
  C      -9.237314      4.160195      6.122461
  C     -10.325711      4.396846      5.247330
  C     -10.894423      3.350585      4.555500
  C     -10.393957      2.035377      4.708526
  C      -9.329418      1.771532      5.545411
  C      -8.722321      2.826823      6.276957
  H      -2.785868      3.896416      8.099824
  H      -4.163940      3.092420      7.292623
  H      -3.254282      5.967955      6.672272
  H      -4.576833      5.496641      7.801279
  H      -8.069301      2.883808      3.295477
  H      -8.185508      5.954145     -0.109977
  H      -6.814603      7.952221     -0.724176
  H      -4.904416      8.645168      0.710542
  H      -4.319407      7.354858      2.739398
  H      -1.715963     -1.621016      5.189499
  H      -1.277961     -1.790794      3.478715
  H      -4.053511     -1.254854      4.684379
  H      -3.512963     -2.585719      3.614714
  H      -6.936660      2.759542      0.191029
  H      -3.236291      2.808896     -2.534100
  H      -0.911884      1.906128     -2.349866
  H      -0.215950      0.643691     -0.320562
  H      -1.819776      0.259492      1.538656
  H      -4.900314     -0.112578      6.085281
  H      -3.877483     -1.163899      7.095955
  H      -5.615899     -0.439608      8.494929
  H      -4.248569      0.614997      8.983924
  H      -7.270943      5.794458      8.160702
  H     -10.687688      5.420932      5.149881
  H     -11.733433      3.532744      3.883067
  H     -10.855781      1.218113      4.152543
  H      -8.952151      0.758439      5.659423
  N      -2.160368      2.844175      3.463269
  N      -1.901719      3.618558      2.467612
  H      -2.220923      4.593107      2.506386
  H      -1.639985      3.218420      1.561463
99
Coordinates from ORCA-job orca E -6706.989405825773
  N      -2.539388      3.462034      6.019968
  Mo     -2.587358      1.790581      4.885864
  N      -3.020535      0.683621      6.540350
  C      -1.877104      0.441613      7.418320
  C      -0.821871      1.528897      7.276020
  N      -0.581113      1.850059      5.834479
  C      -0.111646      3.251959      5.658451
  C      -1.289451      4.215986      5.933879
  C       0.352617      0.866083      5.205824
  C      -0.207410      0.497107      3.831967
  N      -1.612930      0.191520      4.008036
  H      -1.341871      4.967892      5.131230
  H      -1.119223      4.761557      6.876468
  H       0.229919      3.341942      4.620483
  H       0.747849      3.443758      6.321793
  H       0.356896     -0.349870      3.405444
  H      -0.098065      1.357190      3.149000
  H       0.376414     -0.029100      5.842311
  H       1.369586      1.286086      5.165314
  H      -2.170185      0.397858      8.482986
  H      -1.439938     -0.553815      7.188957
  H      -1.169972      2.445492      7.763098
  H       0.126710      1.227285      7.748799
  C      -3.358517      3.824125      7.154688
  C      -4.001453      5.196710      6.918759
  O      -4.971297      5.109282      5.849605
  C      -4.578592      5.379254      4.597279
  O      -3.484718      5.812019      4.263451
  C      -5.702447      5.093969      3.629890
  N      -6.464470      4.050291      3.919858
  C      -7.469988      3.764979      3.053780
  N      -7.793781      4.431300      1.962280
  C      -7.020871      5.512572      1.652281
  C      -7.325842      6.261519      0.489598
  C      -6.561694      7.359058      0.157661
  C      -5.473339      7.752454      0.973183
  C      -5.148150      7.042974      2.110187
  C      -5.909437      5.901593      2.472797
  C      -1.919511     -1.213126      4.170731
  C      -3.386839     -1.526426      3.867168
  O      -3.814293     -0.800233      2.666652
  C      -4.205982      0.445557      2.838646
  O      -4.418488      0.964936      3.955335
  C      -4.458424      1.170746      1.546502
  N      -5.663654      1.699978      1.436420
  C      -5.934274      2.353373      0.272590
  N      -5.109479      2.551682     -0.736557
  C      -3.851826      2.039940     -0.613550
  C      -2.912950      2.253608     -1.653582
  C      -1.633208      1.755731     -1.537396
  C      -1.238457      1.033135     -0.382957
  C      -2.129948      0.800166      0.643349
  C      -3.455830      1.293442      0.545057
  C      -4.179767     -0.108058      6.915667
  C      -4.925787      0.357824      8.168057
  O      -5.677200      1.566536      7.910364
  C      -6.919514      1.389441      7.403645
  O      -7.409414      0.296252      7.181254
  C      -7.603874      2.713140      7.158486
  N      -7.104197      3.756185      7.806755
  C      -7.698680      4.956386      7.597448
  N      -8.714299      5.216913      6.798776
  C      -9.243001      4.156697      6.123814
  C     -10.332434      4.389869      5.248606
  C     -10.897981      3.341707      4.556755
  C     -10.393283      2.028078      4.710147
  C      -9.327935      1.767586      5.547471
  C      -8.724133      2.824791      6.278835
  H      -2.781620      3.897966      8.101259
  H      -4.159188      3.089906      7.296740
  H      -3.257427      5.968101      6.677558
  H      -4.579813      5.490608      7.803614
  H      -8.071437      2.887083      3.300301
  H      -8.174791      5.944529     -0.116867
  H      -6.797906      7.936988     -0.737159
  H      -4.889018      8.631920      0.698983
  H      -4.310976      7.348930      2.734469
  H      -1.718029     -1.621411      5.184371
  H      -1.284612     -1.788732      3.472426
  H      -4.056890     -1.253778      4.685172
  H      -3.518446     -2.583125      3.613128
  H      -6.943517      2.762112      0.188410
  H      -3.236117      2.818820     -2.528552
  H      -0.911137      1.920013     -2.339080
  H      -0.217141      0.656259     -0.310272
  H      -1.824280      0.267083      1.544166
  H      -4.902717     -0.108024      6.089046
  H      -3.880552     -1.160939      7.098608
  H      -5.610820     -0.431786      8.504239
  H      -4.242492      0.625440      8.983988
  H      -7.278204      5.798084      8.157105
  H     -10.697293      5.412938      5.150463
  H     -11.737511      3.521218      3.883577
  H     -10.852230      1.209279      4.153744
  H      -8.947383      0.755651      5.661522
  N      -2.160036      2.845245      3.463832
  N      -1.900691      3.620565      2.469009
  H      -2.217988      4.595509      2.510391
  H      -1.647128      3.221165      1.560351
99
Coordinates from ORCA-job orca E -6706.989468831070
  N      -2.534909      3.464074      6.025356
  Mo     -2.587011      1.794146      4.888775
  N      -3.019822      0.681229      6.539275
  C      -1.874939      0.433113      7.413596
  C      -0.820599      1.521739      7.275297
  N      -0.580592      1.848103      5.834953
  C      -0.106726      3.249581      5.665396
  C      -1.283454      4.216222      5.939176
  C       0.350783      0.864002      5.202037
  C      -0.212173      0.497746      3.828292
  N      -1.618045      0.195968      4.007058
  H      -1.334212      4.969074      5.136372
  H      -1.113410      4.761727      6.882569
  H       0.242156      3.343247      4.629661
  H       0.749115      3.436324      6.335578
  H       0.349308     -0.351451      3.401623
  H      -0.101268      1.358059      3.145405
  H       0.375846     -0.032548      5.836789
  H       1.367704      1.283360      5.160308
  H      -2.166478      0.383844      8.478380
  H      -1.438243     -0.561377      7.178655
  H      -1.170119      2.436298      7.765164
  H       0.128154      1.220084      7.746782
  C      -3.351612      3.824940      7.162810
  C      -4.000992      5.194960      6.927521
  O      -4.966607      5.104773      5.855740
  C      -4.571916      5.382678      4.604721
  O      -3.479110      5.823731      4.276539
  C      -5.691897      5.092949      3.633728
  N      -6.459439      4.054116      3.928618
  C      -7.463039      3.765156      3.061815
  N      -7.779355      4.422685      1.962831
  C      -6.999456      5.496999      1.645615
  C      -7.294778      6.233541      0.472688
  C      -6.524153      7.324184      0.132262
  C      -5.438978      7.723213      0.949916
  C      -5.122916      7.025646      2.096656
  C      -5.890172      5.890503      2.467987
  C      -1.927419     -1.209143      4.164183
  C      -3.396365     -1.518083      3.868034
  O      -3.826998     -0.791758      2.667572
  C      -4.217701      0.454433      2.838068
  O      -4.421823      0.978710      3.953640
  C      -4.476489      1.176202      1.544790
  N      -5.687715      1.693805      1.433508
  C      -5.961617      2.346764      0.269699
  N      -5.135179      2.554686     -0.737838
  C      -3.872656      2.054153     -0.613112
  C      -2.933730      2.278633     -1.649976
  C      -1.650365      1.791517     -1.531682
  C      -1.251735      1.068590     -0.378816
  C      -2.142774      0.826190      0.644999
  C      -3.472280      1.309747      0.545531
  C      -4.182780     -0.103147      6.918908
  C      -4.921122      0.368494      8.174613
  O      -5.675477      1.575724      7.917526
  C      -6.915333      1.394640      7.404045
  O      -7.398355      0.299329      7.175198
  C      -7.605886      2.715177      7.158557
  N      -7.111026      3.761375      7.805648
  C      -7.711167      4.958359      7.595712
  N      -8.728970      5.212919      6.797393
  C      -9.252818      4.149383      6.123727
  C     -10.344262      4.376187      5.248650
  C     -10.904810      3.324912      4.557971
  C     -10.392941      2.014413      4.712482
  C      -9.325656      1.760035      5.549708
  C      -8.726996      2.820497      6.279815
  H      -2.771714      3.904045      8.107313
  H      -4.148468      3.087816      7.308943
  H      -3.261344      5.970184      6.690090
  H      -4.582579      5.482636      7.811319
  H      -8.070191      2.892749      3.314329
  H      -8.141871      5.912426     -0.134801
  H      -6.752776      7.892299     -0.770611
  H      -4.849517      8.597694      0.669653
  H      -4.288618      7.336764      2.722796
  H      -1.720348     -1.623227      5.173960
  H      -1.297723     -1.782633      3.459738
  H      -4.063064     -1.242238      4.688946
  H      -3.532721     -2.575548      3.615279
  H      -6.975146      2.746384      0.184249
  H      -3.259300      2.843899     -2.523775
  H      -0.928939      1.964897     -2.330003
  H      -0.227765      0.700283     -0.304713
  H      -1.834578      0.293330      1.545395
  H      -4.908853     -0.099868      6.094831
  H      -3.888516     -1.157715      7.100907
  H      -5.602426     -0.419223      8.521377
  H      -4.231284      0.640678      8.983242
  H      -7.292909      5.802916      8.151209
  H     -10.714324      5.397102      5.149675
  H     -11.745683      3.499649      3.884699
  H     -10.847531      1.193020      4.157173
  H      -8.939613      0.750402      5.664306
  N      -2.153686      2.847001      3.466612
  N      -1.890370      3.624649      2.474630
  H      -2.205402      4.599286      2.521096
  H      -1.651651      3.226266      1.561006
99
Coordinates from ORCA-job orca E -6706.989516608768
  N      -2.529690      3.466937      6.034940
  Mo     -2.587670      1.799480      4.895679
  N      -3.016254      0.679154      6.542311
  C      -1.867967      0.424203      7.410005
  C      -0.813875      1.513229      7.273957
  N      -0.578295      1.846619      5.834472
  C      -0.101413      3.247837      5.672394
  C      -1.276773      4.217264      5.947645
  C       0.349596      0.863742      5.193910
  C      -0.220197      0.501432      3.821787
  N      -1.626213      0.202746      4.005600
  H      -1.327011      4.971762      5.145122
  H      -1.105767      4.762086      6.892075
  H       0.252549      3.345830      4.639331
  H       0.751222      3.428540      6.347704
  H       0.337339     -0.348754      3.393011
  H      -0.109359      1.362286      3.140088
  H       0.378373     -0.034391      5.826088
  H       1.366237      1.283517      5.147926
  H      -2.155602      0.369055      8.475559
  H      -1.432949     -0.569079      7.168021
  H      -1.162902      2.425245      7.769190
  H       0.136747      1.210087      7.741294
  C      -3.344634      3.828073      7.172568
  C      -4.001338      5.194036      6.934332
  O      -4.960701      5.099042      5.857569
  C      -4.561577      5.380358      4.608603
  O      -3.469027      5.826994      4.287140
  C      -5.678250      5.091515      3.632916
  N      -6.460201      4.065944      3.935699
  C      -7.465672      3.781824      3.069843
  N      -7.770220      4.431706      1.962693
  C      -6.973709      5.490345      1.635172
  C      -7.254165      6.215565      0.451229
  C      -6.467079      7.290361      0.098884
  C      -5.380000      7.684797      0.915963
  C      -5.078311      6.998204      2.073565
  C      -5.861892      5.878412      2.457140
  C      -1.937475     -1.202440      4.158605
  C      -3.408186     -1.507295      3.871936
  O      -3.845801     -0.780882      2.673627
  C      -4.235127      0.465037      2.844794
  O      -4.428383      0.995352      3.959829
  C      -4.503464      1.183429      1.551769
  N      -5.721859      1.683313      1.439139
  C      -6.002127      2.334508      0.275913
  N      -5.176403      2.556641     -0.728952
  C      -3.907551      2.072258     -0.603209
  C      -2.969697      2.308352     -1.638528
  C      -1.681311      1.834127     -1.519699
  C      -1.276265      1.113578     -0.367517
  C      -2.165729      0.861479      0.655598
  C      -3.499945      1.331636      0.554872
  C      -4.180892     -0.100317      6.927265
  C      -4.913432      0.378166      8.183823
  O      -5.673235      1.581298      7.923713
  C      -6.908895      1.392888      7.402912
  O      -7.383915      0.294409      7.171252
  C      -7.606165      2.709064      7.153527
  N      -7.116852      3.758891      7.798151
  C      -7.722704      4.952349      7.585784
  N      -8.742921      5.199990      6.788900
  C      -9.261233      4.132667      6.117617
  C     -10.354486      4.352328      5.243438
  C     -10.908129      3.297416      4.552305
  C     -10.387430      1.990373      4.705885
  C      -9.318748      1.742891      5.543259
  C      -8.727249      2.807093      6.274066
  H      -2.762845      3.914924      8.114751
  H      -4.137231      3.087260      7.323109
  H      -3.264667      5.974094      6.702640
  H      -4.589683      5.476014      7.815675
  H      -8.086125      2.921289      3.330576
  H      -8.103384      5.898172     -0.155066
  H      -6.683870      7.849340     -0.812895
  H      -4.777284      8.546971      0.626660
  H      -4.242677      7.306217      2.698972
  H      -1.723729     -1.621969      5.164879
  H      -1.312956     -1.773443      3.447254
  H      -4.069442     -1.229747      4.695608
  H      -3.547634     -2.563891      3.620546
  H      -7.020641      2.721144      0.189984
  H      -3.299895      2.870860     -2.512277
  H      -0.961072      2.014803     -2.317885
  H      -0.248731      0.754764     -0.293679
  H      -1.853673      0.329221      1.555196
  H      -4.909239     -0.096953      6.105326
  H      -3.889536     -1.155304      7.110944
  H      -5.589259     -0.408918      8.542593
  H      -4.218234      0.659138      8.984622
  H      -7.308396      5.800238      8.138991
  H     -10.730698      5.371009      5.144561
  H     -11.749932      3.466741      3.879004
  H     -10.835809      1.165863      4.149292
  H      -8.925917      0.735860      5.656914
  N      -2.153150      2.853179      3.476060
  N      -1.887842      3.635895      2.488131
  H      -2.201104      4.611335      2.543161
  H      -1.667801      3.242597      1.568218
99
Coordinates from ORCA-job orca E -6706.989561512225
  N      -2.522817      3.467135      6.040787
  Mo     -2.584499      1.801152      4.900591
  N      -3.013700      0.675682      6.544203
  C      -1.864881      0.416064      7.409805
  C      -0.810640      1.505473      7.277081
  N      -0.574642      1.843125      5.838766
  C      -0.094003      3.243914      5.681622
  C      -1.268583      4.214917      5.951870
  C       0.350911      0.859813      5.194821
  C      -0.221067      0.499677      3.822853
  N      -1.627714      0.204367      4.007677
  H      -1.317313      4.964449      5.146622
  H      -1.097598      4.763682      6.892635
  H       0.266549      3.343889      4.650168
  H       0.755573      3.421850      6.362621
  H       0.334213     -0.352057      3.393917
  H      -0.108703      1.360682      3.141688
  H       0.381220     -0.039042      5.825874
  H       1.367374      1.279370      5.146654
  H      -2.151850      0.357460      8.475482
  H      -1.430839     -0.576929      7.164251
  H      -1.160408      2.416163      7.774442
  H       0.139800      1.201510      7.744076
  C      -3.336616      3.829483      7.178434
  C      -4.000182      5.192775      6.937814
  O      -4.956586      5.095202      5.859603
  C      -4.556834      5.380484      4.611316
  O      -3.465131      5.829534      4.293126
  C      -5.672248      5.093679      3.633499
  N      -6.463069      4.075725      3.940352
  C      -7.469724      3.794865      3.075154
  N      -7.766811      4.440101      1.963157
  C      -6.959711      5.488809      1.629635
  C      -7.230605      6.206458      0.438949
  C      -6.433400      7.271505      0.079434
  C      -5.345662      7.663817      0.896489
  C      -5.053105      6.984480      2.060696
  C      -5.846523      5.873783      2.451539
  C      -1.940966     -1.200681      4.158369
  C      -3.413589     -1.500039      3.879844
  O      -3.853342     -0.776927      2.679682
  C      -4.242783      0.469054      2.848163
  O      -4.427437      1.004280      3.961209
  C      -4.522603      1.181839      1.554213
  N      -5.748488      1.662496      1.441146
  C      -6.037739      2.310571      0.278217
  N      -5.214850      2.547581     -0.725079
  C      -3.939082      2.081137     -0.599493
  C      -3.003876      2.331602     -1.633566
  C      -1.709438      1.873452     -1.515058
  C      -1.295611      1.154556     -0.364874
  C      -2.181963      0.889533      0.657548
  C      -3.521564      1.344723      0.557519
  C      -4.181033     -0.097929      6.932676
  C      -4.909312      0.387096      8.189318
  O      -5.670778      1.588434      7.927578
  C      -6.901005      1.395844      7.396789
  O      -7.368109      0.295524      7.158432
  C      -7.604590      2.708450      7.146980
  N      -7.121212      3.761078      7.791658
  C      -7.732382      4.951581      7.577876
  N      -8.753554      5.193714      6.780501
  C      -9.266236      4.123499      6.109658
  C     -10.359812      4.337441      5.234092
  C     -10.907478      3.279541      4.542627
  C     -10.380306      1.975161      4.697406
  C      -9.311108      1.733287      5.535997
  C      -8.725478      2.800608      6.266748
  H      -2.752461      3.922411      8.118417
  H      -4.125710      3.085444      7.333952
  H      -3.266295      5.976806      6.709118
  H      -4.592467      5.470600      7.818130
  H      -8.097781      2.940860      3.339879
  H      -8.080929      5.890845     -0.166603
  H      -6.642651      7.824469     -0.837654
  H      -4.735021      8.518929      0.602075
  H      -4.217602      7.292149      2.686247
  H      -1.722620     -1.624317      5.162037
  H      -1.322056     -1.771097      3.441879
  H      -4.069377     -1.214687      4.705154
  H      -3.559803     -2.557247      3.634906
  H      -7.061552      2.683068      0.193001
  H      -3.340892      2.891534     -2.506423
  H      -0.991188      2.064945     -2.312454
  H      -0.263855      0.807435     -0.292222
  H      -1.864194      0.358012      1.555865
  H      -4.910806     -0.093358      6.112201
  H      -3.893922     -1.153445      7.118307
  H      -5.582870     -0.398097      8.555597
  H      -4.210717      0.672944      8.985306
  H      -7.323174      5.802078      8.132004
  H     -10.740616      5.354456      5.134172
  H     -11.749279      3.444491      3.867806
  H     -10.823771      1.148159      4.140730
  H      -8.913096      0.728285      5.650190
  N      -2.144603      2.853335      3.481222
  N      -1.874478      3.639485      2.496918
  H      -2.185550      4.615161      2.557514
  H      -1.669822      3.248099      1.572216
99
Coordinates from ORCA-job orca E -6706.989609623633
  N      -2.516822      3.471375      6.052454
  Mo     -2.582018      1.808624      4.908032
  N      -3.012220      0.674568      6.546718
  C      -1.862800      0.409461      7.409862
  C      -0.808637      1.498928      7.282665
  N      -0.571185      1.843764      5.845994
  C      -0.086848      3.244857      5.699079
  C      -1.262107      4.217437      5.961967
  C       0.352250      0.861514      5.197139
  C      -0.221749      0.506236      3.825370
  N      -1.628806      0.211884      4.010230
  H      -1.309252      4.961007      5.151457
  H      -1.092222      4.772176      6.898737
  H       0.285398      3.349062      4.671842
  H       0.756029      3.417478      6.390194
  H       0.332090     -0.344353      3.393287
  H      -0.109444      1.369017      3.146927
  H       0.383269     -0.038790      5.825640
  H       1.368761      1.280685      5.147642
  H      -2.148960      0.344983      8.475233
  H      -1.429502     -0.582181      7.158630
  H      -1.159683      2.407186      7.783393
  H       0.141755      1.193124      7.748939
  C      -3.331778      3.834953      7.189187
  C      -3.996553      5.196505      6.945086
  O      -4.948800      5.095652      5.863559
  C      -4.541535      5.375200      4.616830
  O      -3.447066      5.823493      4.304071
  C      -5.652160      5.086299      3.634118
  N      -6.454852      4.080115      3.948509
  C      -7.460147      3.799290      3.081680
  N      -7.745405      4.434221      1.960663
  C      -6.925111      5.469393      1.618290
  C      -7.182022      6.174145      0.416764
  C      -6.371011      7.224857      0.046997
  C      -5.282885      7.615246      0.864426
  C      -5.003907      6.948578      2.039416
  C      -5.811909      5.852692      2.441217
  C      -1.943941     -1.192244      4.157838
  C      -3.419192     -1.486018      3.884485
  O      -3.860767     -0.764991      2.684033
  C      -4.251721      0.479321      2.853484
  O      -4.425695      1.017249      3.966730
  C      -4.550824      1.187486      1.561469
  N      -5.786193      1.642982      1.453029
  C      -6.092187      2.284863      0.290795
  N      -5.277907      2.539099     -0.715185
  C      -3.992827      2.098594     -0.593732
  C      -3.065558      2.366349     -1.631401
  C      -1.763064      1.930091     -1.518744
  C      -1.333218      1.215165     -0.371761
  C      -2.211181      0.933883      0.654293
  C      -3.557721      1.368876      0.560595
  C      -4.180611     -0.097058      6.935328
  C      -4.907928      0.387483      8.193191
  O      -5.672968      1.588170      7.933457
  C      -6.899224      1.392322      7.391909
  O      -7.358681      0.290396      7.144983
  C      -7.606475      2.701898      7.141068
  N      -7.128375      3.755239      7.788857
  C      -7.742685      4.943581      7.574575
  N      -8.762178      5.182936      6.773899
  C      -9.269972      4.112029      6.100437
  C     -10.362692      4.323186      5.224375
  C     -10.906462      3.264403      4.531798
  C     -10.376208      1.961738      4.685830
  C      -9.307719      1.722525      5.525056
  C      -8.725941      2.790967      6.257620
  H      -2.748348      3.930762      8.129396
  H      -4.118821      3.089621      7.345696
  H      -3.261993      5.980724      6.718409
  H      -4.591580      5.474595      7.823707
  H      -8.097883      2.954914      3.353309
  H      -8.032841      5.859858     -0.188780
  H      -6.569266      7.767727     -0.878568
  H      -4.661015      8.458948      0.561579
  H      -4.167883      7.255183      2.664747
  H      -1.723864     -1.619630      5.159994
  H      -1.329103     -1.762194      3.437089
  H      -4.069706     -1.193166      4.711393
  H      -3.572512     -2.543441      3.644807
  H      -7.123222      2.634458      0.207517
  H      -3.415573      2.920706     -2.502860
  H      -1.050515      2.134969     -2.319134
  H      -0.296092      0.883368     -0.305212
  H      -1.882575      0.404223      1.549854
  H      -4.911390     -0.090025      6.115961
  H      -3.894977     -1.153412      7.119910
  H      -5.580174     -0.398772      8.561009
  H      -4.208383      0.674033      8.988087
  H      -7.338343      5.794661      8.131488
  H     -10.746032      5.338971      5.125660
  H     -11.747769      3.427257      3.857600
  H     -10.816874      1.133899      4.128789
  H      -8.907431      0.718862      5.639050
  N      -2.137413      2.862323      3.492419
  N      -1.862150      3.654955      2.513972
  H      -2.173469      4.630243      2.581060
  H      -1.669555      3.267479      1.584868
99
Coordinates from ORCA-job orca E -6706.989651539289
  N      -2.512413      3.469078      6.055855
  Mo     -2.578233      1.808116      4.909039
  N      -3.011053      0.673808      6.548083
  C      -1.862756      0.408977      7.413276
  C      -0.807190      1.497346      7.286327
  N      -0.567370      1.841586      5.850250
  C      -0.083147      3.242579      5.702143
  C      -1.258203      4.215383      5.964948
  C       0.355226      0.858375      5.202145
  C      -0.218442      0.501624      3.829957
  N      -1.626075      0.208830      4.013068
  H      -1.304894      4.957571      5.152682
  H      -1.088410      4.772288      6.900572
  H       0.286640      3.346238      4.673807
  H       0.761505      3.416215      6.390612
  H       0.335136     -0.350118      3.398084
  H      -0.105398      1.364178      3.150255
  H       0.386525     -0.041414      5.832240
  H       1.371885      1.277311      5.151174
  H      -2.149846      0.345816      8.478548
  H      -1.430165     -0.583601      7.163517
  H      -1.157050      2.406468      7.786035
  H       0.141814      1.189805      7.754209
  C      -3.329313      3.833685      7.190958
  C      -3.992004      5.196032      6.947243
  O      -4.943361      5.097954      5.864533
  C      -4.535789      5.379658      4.617836
  O      -3.440784      5.825035      4.306888
  C      -5.644837      5.089886      3.633554
  N      -6.445530      4.081413      3.946727
  C      -7.449289      3.798497      3.079199
  N      -7.736309      4.434431      1.959383
  C      -6.918508      5.472103      1.618432
  C      -7.177794      6.178013      0.418584
  C      -6.369400      7.231111      0.049886
  C      -5.281719      7.622855      0.866864
  C      -5.000505      6.955355      2.040478
  C      -5.805813      5.856747      2.441074
  C      -1.942053     -1.194453      4.165741
  C      -3.417320     -1.487633      3.891384
  O      -3.859564     -0.769419      2.689278
  C      -4.251507      0.474440      2.856029
  O      -4.419320      1.016585      3.968481
  C      -4.560876      1.176743      1.562657
  N      -5.801107      1.616396      1.454239
  C      -6.115599      2.252834      0.290752
  N      -5.305594      2.517188     -0.715313
  C      -4.015316      2.092836     -0.593868
  C      -3.090997      2.371750     -1.632215
  C      -1.783220      1.950985     -1.519894
  C      -1.345216      1.239870     -0.373083
  C      -2.220089      0.947283      0.653310
  C      -3.571187      1.367998      0.560064
  C      -4.180342     -0.096003      6.936701
  C      -4.909566      0.390422      8.192356
  O      -5.673226      1.591082      7.930418
  C      -6.897653      1.394486      7.386273
  O      -7.357577      0.291981      7.142012
  C      -7.605033      2.702972      7.133940
  N      -7.129069      3.756738      7.782121
  C      -7.744223      4.944460      7.567267
  N      -8.762215      5.182923      6.764802
  C      -9.268104      4.111621      6.090967
  C     -10.359117      4.321760      5.212596
  C     -10.900103      3.262543      4.518281
  C     -10.368981      1.960346      4.673193
  C      -9.302440      1.722101      5.515213
  C      -8.723147      2.791055      6.248990
  H      -2.747199      3.927510      8.132174
  H      -4.116735      3.088838      7.345795
  H      -3.256283      5.979980      6.722369
  H      -4.587320      5.473393      7.826447
  H      -8.083678      2.951010      3.348714
  H      -8.028183      5.862401     -0.186440
  H      -6.569498      7.775034     -0.874223
  H      -4.662125      8.468728      0.564790
  H      -4.165250      7.264045      2.665446
  H      -1.725329     -1.618415      5.169558
  H      -1.327808     -1.768201      3.448146
  H      -4.065530     -1.190631      4.718002
  H      -3.573449     -2.544809      3.655956
  H      -7.150248      2.590446      0.207678
  H      -3.448146      2.921683     -2.504102
  H      -1.072267      2.164983     -2.320803
  H      -0.304433      0.919071     -0.307609
  H      -1.885681      0.420080      1.548593
  H      -4.910462     -0.089279      6.116978
  H      -3.896560     -1.152255      7.123716
  H      -5.583635     -0.395173      8.557956
  H      -4.212467      0.676974      8.989217
  H      -7.340568      5.795866      8.122635
  H     -10.742992      5.337267      5.112858
  H     -11.739662      3.424647      3.841513
  H     -10.807368      1.132195      4.114217
  H      -8.901269      0.718867      5.629753
  N      -2.129986      2.858867      3.493326
  N      -1.850400      3.652473      2.516864
  H      -2.159039      4.629328      2.586320
  H      -1.668512      3.265258      1.586363
99
Coordinates from ORCA-job orca E -6706.989699101700
  N      -2.506749      3.466742      6.059728
  Mo     -2.573792      1.809629      4.909400
  N      -3.009343      0.674325      6.548725
  C      -1.862367      0.408655      7.415289
  C      -0.804565      1.494604      7.288799
  N      -0.563223      1.838820      5.853021
  C      -0.079479      3.239709      5.704598
  C      -1.253630      4.213157      5.968338
  C       0.358854      0.855624      5.204621
  C      -0.214162      0.500220      3.832204
  N      -1.622296      0.207544      4.012808
  H      -1.300206      4.952282      5.153690
  H      -1.082811      4.772908      6.901968
  H       0.285290      3.342186      4.674951
  H       0.768170      3.413887      6.388390
  H       0.339594     -0.350128      3.398143
  H      -0.100912      1.363510      3.153864
  H       0.389391     -0.043863      5.834652
  H       1.375921      1.273520      5.153144
  H      -2.150401      0.346667      8.480332
  H      -1.431192     -0.584668      7.166189
  H      -1.151898      2.404670      7.788623
  H       0.143395      1.183768      7.757167
  C      -3.327659      3.831895      7.192213
  C      -3.991720      5.193445      6.946363
  O      -4.943769      5.093807      5.864441
  C      -4.534425      5.373065      4.618501
  O      -3.439204      5.819836      4.308099
  C      -5.641588      5.085182      3.631785
  N      -6.448245      4.081738      3.945305
  C      -7.450740      3.801866      3.075084
  N      -7.732567      4.437846      1.953739
  C      -6.908493      5.470267      1.612439
  C      -7.161779      6.176375      0.410955
  C      -6.346176      7.223841      0.042104
  C      -5.256919      7.609332      0.860172
  C      -4.981701      6.941841      2.035593
  C      -5.795266      5.849658      2.436745
  C      -1.938557     -1.194619      4.170790
  C      -3.414332     -1.488082      3.895397
  O      -3.859304     -0.771577      2.694045
  C      -4.253152      0.472105      2.859412
  O      -4.414557      1.018778      3.969724
  C      -4.575250      1.168649      1.565737
  N      -5.821194      1.592518      1.459569
  C      -6.146364      2.223936      0.296313
  N      -5.341407      2.498592     -0.710411
  C      -4.044898      2.091257     -0.590806
  C      -3.124368      2.387139     -1.627216
  C      -1.809987      1.986687     -1.514825
  C      -1.361744      1.278408     -0.370401
  C      -2.232676      0.969475      0.654393
  C      -3.589748      1.371761      0.561630
  C      -4.179686     -0.093080      6.937960
  C      -4.909057      0.393383      8.193649
  O      -5.672696      1.594010      7.930720
  C      -6.898418      1.396543      7.388721
  O      -7.357994      0.294055      7.146897
  C      -7.606326      2.704128      7.134397
  N      -7.134484      3.758864      7.784168
  C      -7.751015      4.945838      7.566797
  N      -8.766170      5.182574      6.760009
  C      -9.267913      4.110241      6.084334
  C     -10.355507      4.318429      5.200607
  C     -10.891981      3.258006      4.504849
  C     -10.359753      1.956398      4.663494
  C      -9.296465      1.720083      5.510393
  C      -8.721618      2.790373      6.245491
  H      -2.747260      3.924328      8.134641
  H      -4.115115      3.085672      7.345519
  H      -3.256186      5.976830      6.719953
  H      -4.587116      5.472849      7.824292
  H      -8.088454      2.956635      3.343582
  H      -8.012942      5.864988     -0.195308
  H      -6.541452      7.768074     -0.883237
  H      -4.631294      8.450364      0.557195
  H      -4.144746      7.245318      2.660988
  H      -1.725068     -1.614679      5.177271
  H      -1.323712     -1.771793      3.456223
  H      -4.059846     -1.187931      4.722819
  H      -3.573012     -2.545474      3.662584
  H      -7.185484      2.549631      0.215101
  H      -3.490476      2.934113     -2.497019
  H      -1.101328      2.215634     -2.313152
  H      -0.316201      0.972601     -0.305402
  H      -1.890461      0.444667      1.548337
  H      -4.910780     -0.085059      6.118851
  H      -3.898063     -1.149848      7.125507
  H      -5.585019     -0.392684      8.556101
  H      -4.213703      0.679028      8.993177
  H      -7.351187      5.797858      8.124839
  H     -10.740558      5.333490      5.098225
  H     -11.728846      3.418523      3.823976
  H     -10.794899      1.127461      4.103432
  H      -8.894222      0.717307      5.627811
  N      -2.121755      2.861434      3.495578
  N      -1.837913      3.658251      2.521851
  H      -2.145070      4.634280      2.593611
  H      -1.669262      3.270798      1.587997
99
Coordinates from ORCA-job orca E -6706.989736523586
  N      -2.503530      3.465551      6.064742
  Mo     -2.571625      1.811267      4.911181
  N      -3.009002      0.673196      6.548873
  C      -1.862849      0.405288      7.415566
  C      -0.804151      1.490459      7.291565
  N      -0.561508      1.836389      5.856637
  C      -0.077150      3.236834      5.710184
  C      -1.250683      4.211630      5.975285
  C       0.360392      0.854150      5.207141
  C      -0.211307      0.503419      3.833639
  N      -1.619336      0.209543      4.012077
  H      -1.296142      4.951621      5.160276
  H      -1.079909      4.771458      6.910061
  H       0.285328      3.339696      4.680279
  H       0.771809      3.409418      6.392282
  H       0.343095     -0.344422      3.396282
  H      -0.097912      1.368962      3.159055
  H       0.388825     -0.046691      5.834551
  H       1.378127      1.270270      5.158167
  H      -2.151702      0.341785      8.480168
  H      -1.432028     -0.587751      7.165091
  H      -1.150685      2.400244      7.792501
  H       0.143066      1.177662      7.760146
  C      -3.327059      3.831246      7.194972
  C      -3.987379      5.194100      6.949480
  O      -4.938158      5.096172      5.865696
  C      -4.527349      5.376442      4.620200
  O      -3.431944      5.823780      4.311545
  C      -5.631561      5.084936      3.631186
  N      -6.437838      4.081048      3.944733
  C      -7.435986      3.795923      3.071331
  N      -7.714246      4.427207      1.946622
  C      -6.890647      5.459682      1.604841
  C      -7.140329      6.160237      0.399418
  C      -6.325324      7.207979      0.030424
  C      -5.240168      7.599129      0.851979
  C      -4.968229      6.936870      2.030929
  C      -5.781504      5.844642      2.432640
  C      -1.934156     -1.192764      4.169250
  C      -3.410607     -1.485833      3.899103
  O      -3.861627     -0.771197      2.698387
  C      -4.258950      0.471328      2.861963
  O      -4.412981      1.023437      3.970822
  C      -4.591929      1.161796      1.567575
  N      -5.842786      1.572549      1.463262
  C      -6.175552      2.200178      0.299695
  N      -5.373343      2.483467     -0.707743
  C      -4.071998      2.091163     -0.588529
  C      -3.154464      2.401281     -1.623262
  C      -1.835349      2.017343     -1.510490
  C      -1.379357      1.310951     -0.368054
  C      -2.247178      0.988520      0.655242
  C      -3.608850      1.375339      0.562895
  C      -4.180794     -0.091785      6.937924
  C      -4.910112      0.394760      8.193728
  O      -5.673310      1.595288      7.929609
  C      -6.899762      1.397510      7.388936
  O      -7.360054      0.294854      7.149403
  C      -7.606852      2.705189      7.132518
  N      -7.136345      3.760284      7.782529
  C      -7.753270      4.947076      7.563780
  N      -8.768125      5.183026      6.756776
  C      -9.268270      4.110297      6.080550
  C     -10.355247      4.317718      5.195679
  C     -10.889297      3.257021      4.498211
  C     -10.355484      1.955837      4.656677
  C      -9.293228      1.720257      5.505223
  C      -8.720798      2.790865      6.241845
  H      -2.749574      3.920033      8.139676
  H      -4.116325      3.086973      7.344191
  H      -3.250977      5.976782      6.723780
  H      -4.583220      5.473957      7.827053
  H      -8.072702      2.950039      3.339810
  H      -7.988175      5.844461     -0.209724
  H      -6.517965      7.748220     -0.897698
  H      -4.615020      8.440439      0.548658
  H      -4.134501      7.244698      2.659133
  H      -1.716494     -1.615078      5.174257
  H      -1.321529     -1.768334      3.451356
  H      -4.052304     -1.184185      4.728508
  H      -3.570497     -2.543031      3.668426
  H      -7.218435      2.513267      0.217722
  H      -3.526812      2.946388     -2.491437
  H      -1.129022      2.258694     -2.306410
  H      -0.330296      1.018009     -0.302931
  H      -1.898730      0.465481      1.548054
  H      -4.912405     -0.082057      6.119125
  H      -3.901679     -1.149452      7.124695
  H      -5.586709     -0.391351      8.554892
  H      -4.215722      0.680259      8.994145
  H      -7.355243      5.799227      8.123852
  H     -10.741745      5.332275      5.093329
  H     -11.725444      3.416947      3.815903
  H     -10.788767      1.126830      4.095214
  H      -8.889969      0.717813      5.622794
  N      -2.117433      2.862541      3.498910
  N      -1.831129      3.661728      2.527719
  H      -2.137610      4.637977      2.603450
  H      -1.671607      3.276626      1.591668
99
Coordinates from ORCA-job orca E -6706.989789103442
  N      -2.499994      3.464892      6.072013
  Mo     -2.569718      1.813558      4.914965
  N      -3.007601      0.670453      6.549724
  C      -1.861798      0.400487      7.416087
  C      -0.803786      1.486828      7.295413
  N      -0.560519      1.835114      5.861155
  C      -0.074732      3.235070      5.717288
  C      -1.247602      4.211442      5.984936
  C       0.361787      0.854265      5.210533
  C      -0.208155      0.509002      3.834529
  N      -1.615981      0.213600      4.010813
  H      -1.291700      4.954437      5.170488
  H      -1.077350      4.769909      6.922225
  H       0.285458      3.339414      4.687291
  H       0.775171      3.404535      6.398031
  H       0.347258     -0.336657      3.393223
  H      -0.094382      1.377854      3.163487
  H       0.387008     -0.049105      5.835140
  H       1.380822      1.268181      5.166637
  H      -2.151483      0.333814      8.480212
  H      -1.429753     -0.591427      7.163327
  H      -1.151117      2.395583      7.797592
  H       0.143307      1.173770      7.763968
  C      -3.327911      3.830416      7.199108
  C      -3.985512      5.193787      6.952213
  O      -4.933196      5.094599      5.864779
  C      -4.517762      5.375191      4.620931
  O      -3.421373      5.825096      4.316609
  C      -5.616942      5.080526      3.626872
  N      -6.427508      4.080303      3.941203
  C      -7.421740      3.793280      3.064407
  N      -7.692317      4.419450      1.935029
  C      -6.864180      5.447495      1.591651
  C      -7.106154      6.141827      0.380941
  C      -6.287484      7.186168      0.011108
  C      -5.206022      7.579847      0.836542
  C      -4.941200      6.923367      2.020243
  C      -5.758496      5.834630      2.423488
  C      -1.928349     -1.189758      4.165054
  C      -3.404717     -1.484149      3.903003
  O      -3.865171     -0.770668      2.704636
  C      -4.269586      0.469767      2.866462
  O      -4.412831      1.029924      3.972514
  C      -4.618864      1.151313      1.571698
  N      -5.876949      1.539896      1.468327
  C      -6.220275      2.162203      0.304500
  N      -5.421612      2.461849     -0.701413
  C      -4.113278      2.093243     -0.581753
  C      -3.200022      2.424263     -1.613829
  C      -1.874426      2.063816     -1.500277
  C      -1.407465      1.360857     -0.360093
  C      -2.270717      1.019417      0.660945
  C      -3.638956      1.382416      0.568128
  C      -4.180755     -0.092274      6.938859
  C      -4.909686      0.394325      8.195179
  O      -5.673100      1.594495      7.929134
  C      -6.901570      1.396462      7.392213
  O      -7.364900      0.293674      7.158411
  C      -7.606552      2.705007      7.131541
  N      -7.137280      3.760536      7.781609
  C      -7.754070      4.947138      7.560896
  N      -8.767632      5.182243      6.751963
  C      -9.265719      4.108952      6.074843
  C     -10.351289      4.315431      5.187802
  C     -10.882250      3.254532      4.488489
  C     -10.346785      1.954025      4.647146
  C      -9.286551      1.719259      5.498479
  C      -8.717740      2.790096      6.237561
  H      -2.754649      3.916274      8.146726
  H      -4.119496      3.087637      7.343346
  H      -3.249053      5.975906      6.726903
  H      -4.583681      5.475084      7.827210
  H      -8.062661      2.951195      3.334616
  H      -7.951123      5.824499     -0.231371
  H      -6.474527      7.721944     -0.920756
  H      -4.577971      8.418637      0.532374
  H      -4.110513      7.232716      2.651619
  H      -1.703416     -1.616034      5.166659
  H      -1.318498     -1.761745      3.441805
  H      -4.042816     -1.183637      4.735739
  H      -3.563932     -2.541893      3.672396
  H      -7.268799      2.457011      0.222160
  H      -3.580567      2.966249     -2.480371
  H      -1.171706      2.321497     -2.293739
  H      -0.353505      1.086573     -0.294505
  H      -1.913220      0.498923      1.552055
  H      -4.913105     -0.081352      6.120470
  H      -3.903864     -1.151058      7.124098
  H      -5.585741     -0.392035      8.556550
  H      -4.215544      0.680761      8.995358
  H      -7.355751      5.799548      8.118715
  H     -10.739556      5.329121      5.085079
  H     -11.717218      3.413790      3.804513
  H     -10.777368      1.125072      4.083747
  H      -8.882451      0.717266      5.616642
  N      -2.113554      2.865516      3.504471
  N      -1.825549      3.669770      2.537361
  H      -2.133117      4.645115      2.620140
  H      -1.680013      3.289658      1.597131
99
Coordinates from ORCA-job orca E -6706.989855018838
  N      -2.497891      3.464406      6.081408
  Mo     -2.567613      1.815126      4.921501
  N      -3.006375      0.663386      6.550310
  C      -1.861656      0.390486      7.416797
  C      -0.805710      1.479547      7.303010
  N      -0.560735      1.832975      5.870321
  C      -0.072368      3.232550      5.732272
  C      -1.245007      4.210195      5.999189
  C       0.363484      0.854931      5.218245
  C      -0.201853      0.520087      3.837927
  N      -1.609081      0.220635      4.009720
  H      -1.285941      4.954807      5.185749
  H      -1.076835      4.767281      6.938022
  H       0.289429      3.339833      4.703146
  H       0.776348      3.397368      6.415546
  H       0.356260     -0.320516      3.390945
  H      -0.087824      1.394590      3.174662
  H       0.383204     -0.053062      5.836423
  H       1.384170      1.266104      5.184326
  H      -2.153547      0.318187      8.479901
  H      -1.426883     -0.599205      7.160469
  H      -1.156401      2.385662      7.807646
  H       0.141537      1.167330      7.771782
  C      -3.331439      3.830508      7.203858
  C      -3.983093      5.196109      6.954042
  O      -4.927141      5.096917      5.862231
  C      -4.506648      5.375852      4.619739
  O      -3.408870      5.825817      4.319290
  C      -5.600428      5.077112      3.620695
  N      -6.415805      4.081440      3.936615
  C      -7.404786      3.790685      3.055518
  N      -7.664174      4.407375      1.918378
  C      -6.830589      5.429708      1.572416
  C      -7.061003      6.113117      0.353050
  C      -6.238175      7.153308     -0.018432
  C      -5.163805      7.553488      0.813387
  C      -4.909697      6.907119      2.004950
  C      -5.731159      5.822451      2.410534
  C      -1.916074     -1.184794      4.157530
  C      -3.391999     -1.482619      3.905908
  O      -3.863716     -0.771182      2.709951
  C      -4.280468      0.465094      2.870699
  O      -4.411284      1.033867      3.973542
  C      -4.652313      1.135047      1.576550
  N      -5.919799      1.491836      1.474262
  C      -6.277704      2.108461      0.311540
  N      -5.485105      2.432133     -0.691775
  C      -4.167891      2.096144     -0.572374
  C      -3.261660      2.455745     -1.601046
  C      -1.927954      2.125888     -1.488038
  C      -1.445661      1.426426     -0.352140
  C      -2.301493      1.059760      0.666436
  C      -3.677944      1.391281      0.574507
  C      -4.181184     -0.097243      6.938219
  C      -4.910045      0.390756      8.194058
  O      -5.671716      1.591092      7.924783
  C      -6.902366      1.394520      7.392499
  O      -7.370493      0.292604      7.164328
  C      -7.603418      2.705163      7.128468
  N      -7.133303      3.759939      7.778936
  C      -7.748729      4.947354      7.557509
  N      -8.762064      5.183395      6.748875
  C      -9.259874      4.110686      6.070481
  C     -10.344894      4.318194      5.183036
  C     -10.874350      3.258169      4.481157
  C     -10.338053      1.957590      4.637692
  C      -9.279165      1.721780      5.490409
  C      -8.712351      2.791664      6.232287
  H      -2.764492      3.912308      8.155652
  H      -4.127603      3.091328      7.341244
  H      -3.244863      5.976264      6.728467
  H      -4.583938      5.481251      7.825904
  H      -8.051169      2.953773      3.328573
  H      -7.900596      5.791498     -0.264450
  H      -6.416774      7.680939     -0.956685
  H      -4.532675      8.389335      0.508007
  H      -4.084918      7.220987      2.641841
  H      -1.679990     -1.617499      5.154030
  H      -1.308837     -1.749850      3.426405
  H      -4.027476     -1.185896      4.742227
  H      -3.547651     -2.541099      3.674177
  H      -7.333223      2.376294      0.228445
  H      -3.653103      2.994221     -2.464776
  H      -1.230993      2.404727     -2.279199
  H      -0.385557      1.176231     -0.287592
  H      -1.931401      0.541366      1.553940
  H      -4.913306     -0.085613      6.119457
  H      -3.906591     -1.156867      7.122046
  H      -5.586289     -0.394735      8.556711
  H      -4.215544      0.678304      8.993525
  H      -7.349861      5.799248      8.115831
  H     -10.734380      5.331511      5.081471
  H     -11.708774      3.418286      3.796596
  H     -10.766961      1.129506      4.071474
  H      -8.874939      0.719648      5.607332
  N      -2.109606      2.868896      3.513512
  N      -1.820863      3.681193      2.552665
  H      -2.132849      4.654648      2.645130
  H      -1.688320      3.308639      1.607536
99
Coordinates from ORCA-job orca E -6706.989929188065
  N      -2.497867      3.464602      6.092001
  Mo     -2.565692      1.816693      4.929850
  N      -3.004865      0.653394      6.550340
  C      -1.861141      0.378287      7.417443
  C      -0.808793      1.472025      7.312196
  N      -0.561833      1.832349      5.881529
  C      -0.071186      3.232029      5.750591
  C      -1.243870      4.209528      6.016518
  C       0.365336      0.857915      5.227563
  C      -0.194489      0.533649      3.841740
  N      -1.601360      0.229908      4.008379
  H      -1.281209      4.956957      5.205716
  H      -1.078954      4.763144      6.957741
  H       0.293827      3.343526      4.722887
  H       0.775245      3.392276      6.437886
  H       0.366663     -0.302758      3.390050
  H      -0.079865      1.414158      3.185684
  H       0.380046     -0.055440      5.838916
  H       1.387223      1.267733      5.204695
  H      -2.155677      0.299113      8.479436
  H      -1.422201     -0.608458      7.157116
  H      -1.165163      2.374352      7.819821
  H       0.138960      1.162196      7.781446
  C      -3.337138      3.831481      7.209611
  C      -3.982141      5.199960      6.955732
  O      -4.921350      5.101067      5.859070
  C      -4.493647      5.376116      4.618794
  O      -3.394023      5.825913      4.323833
  C      -5.580753      5.073775      3.613399
  N      -6.403521      4.084824      3.931298
  C      -7.386402      3.790688      3.044831
  N      -7.630106      4.394872      1.897434
  C      -6.788276      5.409231      1.548766
  C      -7.002265      6.078761      0.318567
  C      -6.172839      7.112889     -0.055061
  C      -5.108022      7.520615      0.785050
  C      -4.869260      6.887074      1.986717
  C      -5.697052      5.808181      2.395013
  C      -1.901353     -1.178257      4.149548
  C      -3.376179     -1.481075      3.910256
  O      -3.859946     -0.773455      2.715883
  C      -4.292078      0.457673      2.875388
  O      -4.408704      1.036394      3.973354
  C      -4.691479      1.113621      1.582758
  N      -5.969449      1.429327      1.481384
  C      -6.345438      2.039571      0.320733
  N      -5.562353      2.394293     -0.679141
  C      -4.235391      2.099647     -0.560225
  C      -3.339637      2.493106     -1.585898
  C      -1.997006      2.201183     -1.474222
  C      -1.495236      1.506867     -0.343386
  C      -2.340252      1.109213      0.672529
  C      -3.725479      1.402465      0.582590
  C      -4.180890     -0.106442      6.936490
  C      -4.910475      0.383278      8.191256
  O      -5.669749      1.584372      7.918728
  C      -6.902642      1.390397      7.392501
  O      -7.376990      0.289743      7.171163
  C      -7.598905      2.703640      7.125657
  N      -7.127317      3.756938      7.777617
  C      -7.740060      4.945663      7.555291
  N      -8.752337      5.183812      6.745694
  C      -9.250370      4.112542      6.065025
  C     -10.333995      4.322334      5.176441
  C     -10.863043      3.263814      4.471950
  C     -10.327378      1.962757      4.626234
  C      -9.270128      1.724653      5.480271
  C      -8.704733      2.792800      6.225909
  H      -2.776709      3.909746      8.165527
  H      -4.138821      3.096546      7.340257
  H      -3.240568      5.977590      6.731069
  H      -4.586702      5.489676      7.823725
  H      -8.041190      2.961401      3.321391
  H      -7.834991      5.752315     -0.305312
  H      -6.339324      7.630007     -1.001445
  H      -4.472048      8.352270      0.478396
  H      -4.052325      7.206447      2.630540
  H      -1.652009     -1.617561      5.140037
  H      -1.297914     -1.735264      3.408973
  H      -4.009222     -1.188092      4.749842
  H      -3.527306     -2.540809      3.678968
  H      -7.408435      2.274031      0.237376
  H      -3.744872      3.026077     -2.446814
  H      -1.308211      2.504766     -2.263724
  H      -0.428502      1.285973     -0.281102
  H      -1.954399      0.593400      1.555291
  H      -4.912119     -0.094639      6.116836
  H      -3.907170     -1.166451      7.119221
  H      -5.587326     -0.400502      8.555786
  H      -4.215296      0.671319      8.989717
  H      -7.340335      5.796697      8.114559
  H     -10.723402      5.335736      5.076158
  H     -11.696821      3.425718      3.787287
  H     -10.755560      1.136135      4.057687
  H      -8.866996      0.721968      5.595933
  N      -2.107097      2.873482      3.523969
  N      -1.818952      3.697316      2.571742
  H      -2.137636      4.667971      2.676432
  H      -1.699803      3.334534      1.620670
99
Coordinates from ORCA-job orca E -6706.990021778829
  N      -2.500727      3.465225      6.104895
  Mo     -2.563864      1.818940      4.939250
  N      -3.002856      0.641057      6.549000
  C      -1.859620      0.363648      7.416347
  C      -0.811838      1.463062      7.320890
  N      -0.563273      1.833172      5.892897
  C      -0.071715      3.233817      5.771213
  C      -1.245057      4.209172      6.038081
  C       0.367418      0.863843      5.234992
  C      -0.187012      0.551625      3.843983
  N      -1.593511      0.242362      4.005080
  H      -1.279081      4.960474      5.232312
  H      -1.083817      4.756519      6.982158
  H       0.297116      3.351383      4.744807
  H       0.772430      3.389630      6.463222
  H       0.377416     -0.279531      3.387425
  H      -0.072881      1.438305      3.196548
  H       0.378884     -0.055327      5.837881
  H       1.389432      1.274291      5.222276
  H      -2.156306      0.276353      8.477233
  H      -1.416197     -0.619633      7.150789
  H      -1.175215      2.360261      7.832914
  H       0.136821      1.155919      7.790033
  C      -3.345393      3.831496      7.219066
  C      -3.983103      5.204317      6.963121
  O      -4.916085      5.109266      5.861023
  C      -4.479325      5.381437      4.623626
  O      -3.377582      5.831323      4.336729
  C      -5.556973      5.073585      3.609687
  N      -6.390438      4.095075      3.931593
  C      -7.363720      3.793714      3.037161
  N      -7.584471      4.377072      1.874310
  C      -6.730876      5.379504      1.521014
  C      -6.919831      6.025870      0.274362
  C      -6.079683      7.049294     -0.104462
  C      -5.028913      7.469109      0.746829
  C      -4.813831      6.857336      1.964296
  C      -5.652060      5.788923      2.378304
  C      -1.884788     -1.168531      4.139899
  C      -3.358616     -1.479445      3.911851
  O      -3.856350     -0.776087      2.719713
  C      -4.305409      0.448408      2.880023
  O      -4.404229      1.038155      3.972498
  C      -4.738040      1.089458      1.591062
  N      -6.027081      1.354503      1.491554
  C      -6.425425      1.960042      0.336023
  N      -5.656730      2.354584     -0.658902
  C      -4.319543      2.109048     -0.542669
  C      -3.438548      2.543425     -1.564677
  C      -2.086396      2.295499     -1.457373
  C      -1.560277      1.605632     -0.335024
  C      -2.390291      1.170893      0.678449
  C      -3.784473      1.420124      0.593072
  C      -4.180141     -0.117706      6.934174
  C      -4.910071      0.376529      8.186386
  O      -5.666548      1.577844      7.908209
  C      -6.902283      1.385769      7.389963
  O      -7.383131      0.286395      7.177167
  C      -7.593696      2.700993      7.120107
  N      -7.120994      3.752664      7.774107
  C      -7.731463      4.942610      7.552114
  N      -8.742714      5.183149      6.741767
  C      -9.240687      4.113610      6.058228
  C     -10.322692      4.325813      5.168566
  C     -10.851183      3.268803      4.461293
  C     -10.316060      1.967240      4.613180
  C      -9.260479      1.726729      5.468588
  C      -8.696629      2.792999      6.217640
  H      -2.790980      3.905118      8.178901
  H      -4.152647      3.100871      7.342661
  H      -3.236802      5.978638      6.742240
  H      -4.591082      5.497081      7.827905
  H      -8.029760      2.975228      3.319069
  H      -7.742598      5.690995     -0.357843
  H      -6.227260      7.548620     -1.063522
  H      -4.384827      8.292867      0.436525
  H      -4.007853      7.185948      2.616834
  H      -1.622384     -1.613113      5.124802
  H      -1.284927     -1.716878      3.389757
  H      -3.989963     -1.191802      4.755157
  H      -3.503979     -2.540663      3.680336
  H      -7.496062      2.154215      0.253204
  H      -3.861259      3.070581     -2.420583
  H      -1.408729      2.628599     -2.245426
  H      -0.486593      1.417492     -0.278345
  H      -1.985459      0.656653      1.553751
  H      -4.910098     -0.106570      6.113398
  H      -3.907030     -1.177294      7.118169
  H      -5.588222     -0.404141      8.555069
  H      -4.213520      0.666490      8.982916
  H      -7.330918      5.792838      8.111959
  H     -10.711539      5.339646      5.069544
  H     -11.684089      3.432606      3.776068
  H     -10.743028      1.141965      4.041479
  H      -8.858011      0.723467      5.582371
  N      -2.107399      2.880619      3.536124
  N      -1.821301      3.720870      2.596667
  H      -2.148730      4.687269      2.717760
  H      -1.716962      3.372057      1.638548
99
Coordinates from ORCA-job orca E -6706.990161133509
  N      -2.507748      3.466502      6.121073
  Mo     -2.561417      1.822838      4.949892
  N      -3.001344      0.626054      6.545118
  C      -1.858212      0.346050      7.412536
  C      -0.816062      1.452515      7.329508
  N      -0.565580      1.836656      5.905127
  C      -0.075332      3.239474      5.796942
  C      -1.249844      4.209752      6.069031
  C       0.370524      0.875224      5.241130
  C      -0.178171      0.575326      3.844378
  N      -1.584422      0.258547      3.999573
  H      -1.280368      4.970764      5.273494
  H      -1.093704      4.743702      7.020570
  H       0.297976      3.366336      4.772716
  H       0.765968      3.390536      6.494380
  H       0.390133     -0.250503      3.382969
  H      -0.065847      1.468655      3.205242
  H       0.381112     -0.050409      5.834766
  H       1.391275      1.289722      5.238062
  H      -2.156802      0.248403      8.472159
  H      -1.409618     -0.632662      7.139572
  H      -1.188353      2.342672      7.847923
  H       0.133797      1.148334      7.798162
  C      -3.359093      3.831488      7.230379
  C      -3.985244      5.211312      6.974886
  O      -4.910944      5.125834      5.867069
  C      -4.461873      5.394162      4.634130
  O      -3.357997      5.846188      4.358374
  C      -5.525038      5.078121      3.607811
  N      -6.371101      4.111009      3.932745
  C      -7.326629      3.794793      3.024407
  N      -7.512724      4.346335      1.839999
  C      -6.646044      5.336249      1.483695
  C      -6.797574      5.947895      0.214769
  C      -5.945680      6.960442     -0.168009
  C      -4.920672      7.403972      0.701996
  C      -4.741112      6.824912      1.941090
  C      -5.590271      5.766537      2.359307
  C      -1.863613     -1.155858      4.128462
  C      -3.335766     -1.477675      3.915712
  O      -3.851426     -0.782761      2.725039
  C      -4.321081      0.434248      2.885639
  O      -4.396472      1.040095      3.969251
  C      -4.797457      1.055818      1.602907
  N      -6.098111      1.254006      1.507561
  C      -6.527365      1.853489      0.359662
  N      -5.781803      2.299095     -0.630634
  C      -4.433946      2.118631     -0.519231
  C      -3.576400      2.605094     -1.537916
  C      -2.214062      2.415826     -1.437730
  C      -1.654137      1.732544     -0.327471
  C      -2.460514      1.248846      0.683260
  C      -3.863912      1.441841      0.606500
  C      -4.179469     -0.133193      6.928566
  C      -4.910684      0.364010      8.178491
  O      -5.663122      1.567008      7.895518
  C      -6.903034      1.378639      7.389212
  O      -7.392863      0.281223      7.187716
  C      -7.587907      2.696567      7.116296
  N      -7.114385      3.745849      7.774145
  C      -7.720562      4.937695      7.550751
  N      -8.728233      5.182104      6.736515
  C      -9.225601      4.115323      6.048229
  C     -10.302871      4.331344      5.153969
  C     -10.831107      3.276265      4.443289
  C     -10.299315      1.973401      4.594729
  C      -9.247546      1.729131      5.453867
  C      -8.685554      2.792990      6.207847
  H      -2.812680      3.897337      8.195078
  H      -4.174102      3.107103      7.343200
  H      -3.229998      5.980465      6.762239
  H      -4.596659      5.506632      7.837161
  H      -8.005746      2.988381      3.310949
  H      -7.602065      5.595789     -0.431138
  H      -6.064898      7.433243     -1.144219
  H      -4.268081      8.220309      0.389244
  H      -3.955122      7.172633      2.607665
  H      -1.584745     -1.605717      5.106332
  H      -1.270268     -1.693731      3.365659
  H      -3.963474     -1.193840      4.762788
  H      -3.474678     -2.540834      3.688586
  H      -7.605850      1.993958      0.278415
  H      -4.023733      3.123164     -2.387189
  H      -1.553883      2.787820     -2.223996
  H      -0.573292      1.587498     -0.279694
  H      -2.029913      0.737288      1.548374
  H      -4.907989     -0.121941      6.106379
  H      -3.905112     -1.192075      7.113438
  H      -5.592140     -0.412621      8.549179
  H      -4.213328      0.652964      8.974643
  H      -7.321229      5.786563      8.114835
  H     -10.688628      5.346413      5.055038
  H     -11.661523      3.442932      3.756130
  H     -10.725742      1.149901      4.020429
  H      -8.847876      0.724626      5.567541
  N      -2.109399      2.892757      3.549836
  N      -1.830195      3.758626      2.630500
  H      -2.170941      4.718032      2.776435
  H      -1.739072      3.432292      1.662407
99
Coordinates from ORCA-job orca E -6706.990345735850
  N      -2.520028      3.467523      6.136629
  Mo     -2.559834      1.828217      4.956023
  N      -2.999348      0.615592      6.539385
  C      -1.855436      0.333493      7.405373
  C      -0.818490      1.445725      7.331514
  N      -0.568187      1.844376      5.910524
  C      -0.083665      3.250858      5.815847
  C      -1.259777      4.211005      6.102926
  C       0.373420      0.892316      5.238383
  C      -0.171537      0.602304      3.838148
  N      -1.577518      0.276803      3.988005
  H      -1.289427      4.988469      5.325284
  H      -1.107372      4.722126      7.065830
  H       0.289724      3.389372      4.792412
  H       0.757775      3.399503      6.514810
  H       0.400737     -0.218075      3.372544
  H      -0.063674      1.500812      3.206115
  H       0.387554     -0.038195      5.823899
  H       1.390737      1.314486      5.239533
  H      -2.153206      0.226928      8.464723
  H      -1.403797     -0.641578      7.124185
  H      -1.197750      2.329348      7.856834
  H       0.132605      1.143680      7.798432
  C      -3.375698      3.826985      7.245566
  C      -3.989161      5.216653      6.998881
  O      -4.908652      5.149862      5.887454
  C      -4.447989      5.417094      4.659378
  O      -3.342525      5.872345      4.395719
  C      -5.493964      5.089659      3.619880
  N      -6.354621      4.136917      3.949994
  C      -7.284740      3.795771      3.024550
  N      -7.425129      4.300799      1.813351
  C      -6.544095      5.275804      1.452298
  C      -6.645128      5.835968      0.155244
  C      -5.779501      6.834645     -0.233663
  C      -4.792177      7.316280      0.659253
  C      -4.660953      6.786064      1.925952
  C      -5.522184      5.739967      2.350117
  C      -1.843616     -1.140355      4.110482
  C      -3.314450     -1.476271      3.909890
  O      -3.849889     -0.788848      2.723109
  C      -4.337096      0.420190      2.886727
  O      -4.386304      1.041994      3.960834
  C      -4.857091      1.024105      1.612592
  N      -6.166237      1.155342      1.522813
  C      -6.627484      1.752225      0.386117
  N      -5.909390      2.249776     -0.599132
  C      -4.553904      2.133034     -0.495102
  C      -3.723487      2.669625     -1.510895
  C      -2.353644      2.537291     -1.420811
  C      -1.758604      1.861163     -0.324553
  C      -2.537784      1.330604      0.684700
  C      -3.947551      1.469252      0.618765
  C      -4.177751     -0.144477      6.922480
  C      -4.911541      0.356324      8.168231
  O      -5.662289      1.558936      7.878491
  C      -6.907764      1.372583      7.388187
  O      -7.406362      0.277173      7.200813
  C      -7.587191      2.692047      7.113056
  N      -7.114583      3.738667      7.776195
  C      -7.717221      4.932282      7.552943
  N      -8.719893      5.181297      6.733559
  C      -9.215157      4.117829      6.038816
  C     -10.285792      4.338283      5.138064
  C     -10.812461      3.285503      4.422288
  C     -10.284341      1.981103      4.573595
  C      -9.237742      1.732540      5.438057
  C      -8.678945      2.793476      6.198321
  H      -2.834577      3.880423      8.214010
  H      -4.197875      3.108727      7.347140
  H      -3.222882      5.978764      6.799004
  H      -4.600765      5.510431      7.861895
  H      -7.978970      3.004602      3.317839
  H      -7.422724      5.455192     -0.507062
  H      -5.859691      7.267941     -1.231829
  H      -4.129781      8.122939      0.342068
  H      -3.903322      7.164255      2.608546
  H      -1.550623     -1.593572      5.082634
  H      -1.256323     -1.667637      3.335599
  H      -3.938770     -1.198101      4.762011
  H      -3.446343     -2.541434      3.685587
  H      -7.711751      1.838941      0.307782
  H      -4.196772      3.177450     -2.352167
  H      -1.713646      2.946466     -2.206200
  H      -0.672610      1.756647     -0.288468
  H      -2.081511      0.822421      1.538602
  H      -4.904034     -0.134910      6.098460
  H      -3.900902     -1.201313      7.111468
  H      -5.596048     -0.416980      8.540710
  H      -4.214957      0.646387      8.964580
  H      -7.319797      5.779454      8.120844
  H     -10.667297      5.355199      5.038991
  H     -11.638887      3.455488      3.731066
  H     -10.709113      1.159591      3.994911
  H      -8.840628      0.726761      5.551340
  N      -2.114275      2.912781      3.564170
  N      -1.846881      3.806786      2.668061
  H      -2.200791      4.758050      2.841102
  H      -1.763590      3.506965      1.690709
99
Coordinates from ORCA-job orca E -6706.990768021728
  N      -2.508996      3.458315      6.145254
  Mo     -2.544739      1.828755      4.950751
  N      -3.009796      0.616718      6.524738
  C      -1.864244      0.322206      7.389559
  C      -0.816890      1.430829      7.323346
  N      -0.559029      1.840530      5.905352
  C      -0.072900      3.248058      5.823023
  C      -1.249007      4.203523      6.122764
  C       0.386063      0.895812      5.227024
  C      -0.153665      0.620453      3.821484
  N      -1.558027      0.288966      3.968512
  H      -1.278335      4.993903      5.359839
  H      -1.097352      4.697524      7.093441
  H       0.300020      3.396822      4.800721
  H       0.768572      3.389892      6.523321
  H       0.421891     -0.193800      3.348570
  H      -0.047493      1.525934      3.198624
  H       0.398064     -0.041468      5.802229
  H       1.403233      1.318276      5.238673
  H      -2.162903      0.211719      8.448372
  H      -1.418829     -0.654352      7.103046
  H      -1.194541      2.312085      7.853684
  H       0.132036      1.122594      7.790505
  C      -3.366539      3.803765      7.257171
  C      -3.985625      5.194553      7.026606
  O      -4.906107      5.135108      5.914961
  C      -4.449145      5.421559      4.690108
  O      -3.352981      5.902785      4.433151
  C      -5.484218      5.078426      3.644348
  N      -6.329290      4.109782      3.968606
  C      -7.245520      3.750259      3.036709
  N      -7.381322      4.246462      1.821319
  C      -6.516121      5.237209      1.465526
  C      -6.613380      5.788543      0.164126
  C      -5.766735      6.805462     -0.218873
  C      -4.803988      7.315457      0.684592
  C      -4.676118      6.793970      1.955374
  C      -5.515556      5.727663      2.373599
  C      -1.812508     -1.130753      4.090084
  C      -3.282535     -1.475125      3.909195
  O      -3.832939     -0.799302      2.722137
  C      -4.327636      0.407301      2.876195
  O      -4.366331      1.045039      3.940074
  C      -4.859035      0.991017      1.597464
  N      -6.169859      1.095839      1.500310
  C      -6.635499      1.678567      0.357877
  N      -5.921297      2.184903     -0.625330
  C      -4.564542      2.093109     -0.514240
  C      -3.737906      2.638335     -1.528328
  C      -2.366607      2.526457     -1.431717
  C      -1.766130      1.862282     -0.331339
  C      -2.541534      1.325941      0.677231
  C      -3.952672      1.445403      0.605615
  C      -4.195746     -0.133884      6.904149
  C      -4.928035      0.373024      8.148406
  O      -5.671613      1.579453      7.857203
  C      -6.922925      1.400645      7.380375
  O      -7.433970      0.308856      7.206386
  C      -7.592528      2.724459      7.100201
  N      -7.106915      3.771730      7.752996
  C      -7.701277      4.968633      7.524662
  N      -8.707560      5.219654      6.710042
  C      -9.215645      4.155144      6.025888
  C     -10.290734      4.377199      5.130812
  C     -10.830496      3.323114      4.426554
  C     -10.311423      2.015814      4.583732
  C      -9.260762      1.765634      5.442813
  C      -8.688892      2.827989      6.191454
  H      -2.826501      3.847647      8.226775
  H      -4.187807      3.082906      7.349391
  H      -3.223154      5.962253      6.833367
  H      -4.597747      5.476436      7.893130
  H      -7.929923      2.949549      3.326928
  H      -7.373021      5.386567     -0.505933
  H      -5.844251      7.232027     -1.220271
  H      -4.158401      8.137606      0.372703
  H      -3.938724      7.195131      2.646155
  H      -1.502649     -1.584403      5.057109
  H      -1.231383     -1.652555      3.306671
  H      -3.900979     -1.195857      4.765718
  H      -3.410008     -2.542747      3.691673
  H      -7.720822      1.746385      0.274311
  H      -4.214253      3.136125     -2.373678
  H      -1.729399      2.941800     -2.215864
  H      -0.678849      1.772105     -0.291546
  H      -2.080692      0.827131      1.534269
  H      -4.919726     -0.119674      6.078065
  H      -3.927242     -1.192789      7.093215
  H      -5.616877     -0.395414      8.522574
  H      -4.229221      0.660288      8.943697
  H      -7.293394      5.816816      8.083439
  H     -10.665489      5.396096      5.026794
  H     -11.660718      3.494351      3.740203
  H     -10.746512      1.193371      4.014005
  H      -8.870913      0.757582      5.560921
  N      -2.140185      2.939567      3.567415
  N      -1.913253      3.886001      2.714864
  H      -2.289079      4.816760      2.946011
  H      -1.848478      3.639465      1.720201
99
Coordinates from ORCA-job orca E -6706.991367960816
  N      -2.507802      3.439560      6.126721
  Mo     -2.553581      1.813870      4.923948
  N      -3.023229      0.642958      6.526951
  C      -1.871807      0.343069      7.382205
  C      -0.808270      1.431879      7.289213
  N      -0.559638      1.827768      5.865203
  C      -0.076860      3.235851      5.773279
  C      -1.247967      4.185539      6.098676
  C       0.377479      0.878720      5.183543
  C      -0.175678      0.594948      3.786245
  N      -1.580112      0.267883      3.944450
  H      -1.286508      4.988518      5.350962
  H      -1.083182      4.662704      7.074604
  H       0.280753      3.385802      4.746205
  H       0.774764      3.380763      6.459935
  H       0.394334     -0.222843      3.312312
  H      -0.074658      1.496102      3.156627
  H       0.397344     -0.053086      5.766037
  H       1.393368      1.302379      5.177261
  H      -2.156837      0.249756      8.446410
  H      -1.446511     -0.643779      7.099992
  H      -1.164652      2.323930      7.815434
  H       0.139901      1.112360      7.749941
  C      -3.350721      3.775847      7.252949
  C      -3.978702      5.165592      7.045171
  O      -4.910032      5.116187      5.943249
  C      -4.464127      5.411105      4.716712
  O      -3.372122      5.899186      4.454944
  C      -5.498791      5.054481      3.675426
  N      -6.327635      4.072573      4.002892
  C      -7.233831      3.690885      3.069973
  N      -7.371897      4.176216      1.850486
  C      -6.525027      5.182350      1.492169
  C      -6.626035      5.723678      0.186892
  C      -5.798537      6.756077     -0.197318
  C      -4.854158      7.293720      0.709530
  C      -4.723428      6.782936      1.984203
  C      -5.540517      5.699051      2.402458
  C      -1.840480     -1.149591      4.072624
  C      -3.313016     -1.488038      3.890025
  O      -3.854679     -0.811223      2.702420
  C      -4.329998      0.403175      2.851116
  O      -4.378416      1.038844      3.917045
  C      -4.833907      0.993746      1.563376
  N      -6.143508      1.091370      1.435344
  C      -6.586083      1.669660      0.281480
  N      -5.851926      2.174471     -0.688718
  C      -4.497300      2.094114     -0.544192
  C      -3.650373      2.641109     -1.539344
  C      -2.280921      2.550792     -1.402454
  C      -1.701625      1.909314     -0.278486
  C      -2.496811      1.367656      0.710128
  C      -3.906729      1.461475      0.595372
  C      -4.209637     -0.099187      6.920997
  C      -4.931035      0.411842      8.170223
  O      -5.679915      1.615924      7.884346
  C      -6.935863      1.434569      7.418572
  O      -7.446039      0.341890      7.249092
  C      -7.602824      2.756226      7.126268
  N      -7.110627      3.810226      7.762843
  C      -7.692002      5.008698      7.511452
  N      -8.689897      5.255665      6.685355
  C      -9.206837      4.183904      6.019000
  C     -10.271850      4.401262      5.110558
  C     -10.821151      3.339809      4.424522
  C     -10.322423      2.029017      4.614667
  C      -9.280374      1.783433      5.485766
  C      -8.697444      2.853987      6.214400
  H      -2.796032      3.815353      8.214579
  H      -4.165148      3.049585      7.352062
  H      -3.219478      5.936998      6.854678
  H      -4.582468      5.433455      7.921616
  H      -7.906298      2.881167      3.363589
  H      -7.372927      5.300410     -0.484516
  H      -5.877792      7.174713     -1.201808
  H      -4.225368      8.128775      0.396494
  H      -4.000979      7.207934      2.676532
  H      -1.538518     -1.597711      5.044878
  H      -1.260237     -1.679321      3.294189
  H      -3.928161     -1.201138      4.746268
  H      -3.447915     -2.554774      3.676659
  H      -7.671170      1.729128      0.173382
  H      -4.111828      3.125066     -2.400560
  H      -1.628313      2.970437     -2.169795
  H      -0.614960      1.839026     -0.204127
  H      -2.055536      0.888901      1.587619
  H      -4.939378     -0.087677      6.099811
  H      -3.942886     -1.157559      7.115481
  H      -5.616421     -0.357198      8.550169
  H      -4.226787      0.701463      8.960260
  H      -7.278028      5.862502      8.057107
  H     -10.630672      5.423192      4.982018
  H     -11.643749      3.507345      3.727672
  H     -10.766176      1.200366      4.060266
  H      -8.904568      0.773152      5.627799
  N      -2.168669      2.953075      3.558822
  N      -1.986172      3.940641      2.744675
  H      -2.377406      4.854460      3.018437
  H      -1.902072      3.740862      1.739424
99
Coordinates from ORCA-job orca E -6706.991551937962
  N      -2.490007      3.451275      6.128379
  Mo     -2.553227      1.822185      4.923681
  N      -3.024462      0.677095      6.544722
  C      -1.872675      0.377159      7.398127
  C      -0.798939      1.449794      7.287038
  N      -0.555263      1.829023      5.858070
  C      -0.065534      3.234024      5.753824
  C      -1.225788      4.190656      6.096061
  C       0.370770      0.867891      5.180103
  C      -0.191366      0.582597      3.787545
  N      -1.599386      0.267043      3.948638
  H      -1.263638      5.003793      5.357837
  H      -1.048518      4.656510      7.076903
  H       0.279166      3.378662      4.722242
  H       0.795945      3.375483      6.428092
  H       0.370476     -0.239799      3.312591
  H      -0.087131      1.481483      3.155939
  H       0.385181     -0.059542      5.768604
  H       1.390231      1.282149      5.165764
  H      -2.150600      0.297219      8.465114
  H      -1.459868     -0.616239      7.121912
  H      -1.139598      2.351167      7.806660
  H       0.147359      1.121522      7.745528
  C      -3.320866      3.783327      7.265034
  C      -3.958075      5.170395      7.073027
  O      -4.882044      5.116584      5.964114
  C      -4.431146      5.435092      4.746842
  O      -3.357437      5.975787      4.508454
  C      -5.426132      5.035271      3.682368
  N      -6.232910      4.031228      3.998671
  C      -7.090285      3.600806      3.041083
  N      -7.193437      4.053088      1.805509
  C      -6.368383      5.081031      1.458239
  C      -6.432252      5.587610      0.136643
  C      -5.627406      6.641487     -0.236889
  C      -4.743913      7.235487      0.696242
  C      -4.649058      6.758836      1.987155
  C      -5.442893      5.654431      2.396449
  C      -1.875230     -1.147362      4.081966
  C      -3.354429     -1.467250      3.915888
  O      -3.902364     -0.802286      2.723800
  C      -4.363523      0.418249      2.863044
  O      -4.389019      1.065597      3.921854
  C      -4.910161      0.991439      1.583338
  N      -6.224331      1.016156      1.467407
  C      -6.709800      1.581568      0.324130
  N      -6.013759      2.130411     -0.650136
  C      -4.654693      2.123716     -0.519099
  C      -3.848465      2.719308     -1.519662
  C      -2.474759      2.705722     -1.394471
  C      -1.849955      2.098546     -0.275953
  C      -2.604751      1.509979      0.717422
  C      -4.018661      1.521683      0.612657
  C      -4.205290     -0.075574      6.936185
  C      -4.938633      0.413081      8.187676
  O      -5.705391      1.606799      7.909068
  C      -6.950422      1.412618      7.417194
  O      -7.443589      0.315065      7.228765
  C      -7.631750      2.729233      7.137194
  N      -7.170454      3.776545      7.806330
  C      -7.752085      4.974374      7.554198
  N      -8.720685      5.227612      6.696273
  C      -9.207946      4.162123      5.998067
  C     -10.239098      4.386575      5.052966
  C     -10.755206      3.332303      4.331142
  C     -10.256892      2.021519      4.522190
  C      -9.247162      1.769298      5.428698
  C      -8.697753      2.832554      6.192943
  H      -2.758001      3.817879      8.222452
  H      -4.131709      3.055809      7.367163
  H      -3.206102      5.950784      6.894982
  H      -4.569241      5.422040      7.948682
  H      -7.750952      2.779063      3.328644
  H      -7.133055      5.120244     -0.555245
  H      -5.677513      7.033461     -1.253912
  H      -4.133479      8.086341      0.389690
  H      -3.971799      7.226887      2.697911
  H      -1.570826     -1.595047      5.053739
  H      -1.308178     -1.687180      3.300950
  H      -3.955251     -1.158544      4.775002
  H      -3.506253     -2.534667      3.721249
  H      -7.797649      1.576233      0.224535
  H      -4.344391      3.176897     -2.375996
  H      -1.853774      3.161266     -2.167365
  H      -0.760419      2.090279     -0.210395
  H      -2.130588      1.055480      1.591074
  H      -4.932098     -0.070600      6.111610
  H      -3.926322     -1.131655      7.126102
  H      -5.613655     -0.370811      8.555872
  H      -4.242896      0.706020      8.984532
  H      -7.358322      5.822876      8.122265
  H     -10.598375      5.408364      4.924899
  H     -11.551008      3.505415      3.604836
  H     -10.674624      1.198528      3.939621
  H      -8.870383      0.759312      5.570137
  N      -2.159040      2.963508      3.563000
  N      -1.982346      3.974880      2.779097
  H      -2.370883      4.883312      3.079853
  H      -1.886217      3.803710      1.770990
99
Coordinates from ORCA-job orca E -6706.991282416919
  N      -2.471074      3.460565      6.100576
  Mo     -2.545685      1.820493      4.900666
  N      -3.015720      0.708108      6.545839
  C      -1.872452      0.418531      7.409273
  C      -0.791797      1.474459      7.282931
  N      -0.545834      1.827288      5.848792
  C      -0.051922      3.227576      5.724702
  C      -1.205848      4.196374      6.062311
  C       0.373640      0.850077      5.190151
  C      -0.189708      0.546485      3.803082
  N      -1.602332      0.246088      3.960616
  H      -1.238456      5.010017      5.317598
  H      -1.023433      4.669898      7.044440
  H       0.286219      3.357444      4.690816
  H       0.814094      3.371423      6.390507
  H       0.366280     -0.285656      3.338429
  H      -0.076670      1.436342      3.160031
  H       0.381055     -0.066149      5.795640
  H       1.397318      1.254053      5.167646
  H      -2.153036      0.358145      8.476368
  H      -1.466415     -0.581634      7.149969
  H      -1.117327      2.388196      7.788796
  H       0.149052      1.138434      7.747691
  C      -3.289261      3.787983      7.247685
  C      -3.944652      5.166096      7.076473
  O      -4.897704      5.112218      5.989891
  C      -4.469044      5.417700      4.763128
  O      -3.385207      5.930573      4.500836
  C      -5.508197      5.073191      3.722033
  N      -6.369148      4.121123      4.055571
  C      -7.275574      3.752413      3.117614
  N      -7.381397      4.219534      1.887966
  C      -6.501162      5.194236      1.523503
  C      -6.567994      5.714809      0.207348
  C      -5.705720      6.716884     -0.180054
  C      -4.757807      7.242551      0.732098
  C      -4.659335      6.749712      2.016479
  C      -5.515828      5.698974      2.439811
  C      -1.902240     -1.162901      4.107252
  C      -3.385323     -1.458110      3.932577
  O      -3.911715     -0.807322      2.723997
  C      -4.347365      0.425844      2.839719
  O      -4.387095      1.077675      3.898871
  C      -4.864096      0.993759      1.543721
  N      -6.176542      1.054700      1.422480
  C      -6.642888      1.631935      0.275783
  N      -5.926998      2.148130     -0.703305
  C      -4.568645      2.100633     -0.568292
  C      -3.742720      2.667791     -1.569519
  C      -2.370727      2.624120     -1.434041
  C      -1.766513      2.014228     -0.305058
  C      -2.541012      1.451829      0.688216
  C      -3.953767      1.494945      0.573863
  C      -4.193486     -0.048545      6.936375
  C      -4.929351      0.421284      8.194910
  O      -5.711208      1.606735      7.925198
  C      -6.951656      1.398959      7.422398
  O      -7.437072      0.295090      7.245953
  C      -7.642885      2.708756      7.134225
  N      -7.176874      3.767841      7.780051
  C      -7.754444      4.962125      7.504352
  N      -8.720794      5.201648      6.640751
  C      -9.217683      4.122603      5.970778
  C     -10.249503      4.331128      5.022289
  C     -10.775156      3.263578      4.328203
  C     -10.289526      1.953602      4.554385
  C      -9.280678      1.716442      5.465529
  C      -8.716718      2.794974      6.197173
  H      -2.712664      3.826847      8.196873
  H      -4.087577      3.050717      7.360931
  H      -3.206514      5.955516      6.886402
  H      -4.539970      5.405641      7.965765
  H      -7.980321      2.973563      3.417959
  H      -7.316590      5.299789     -0.468545
  H      -5.757261      7.120254     -1.192496
  H      -4.099434      8.052264      0.413275
  H      -3.929122      7.162388      2.710540
  H      -1.617211     -1.601390      5.088582
  H      -1.333934     -1.722650      3.341956
  H      -3.982427     -1.118657      4.781332
  H      -3.555564     -2.525026      3.760957
  H      -7.730236      1.672294      0.181589
  H      -4.224073      3.128959     -2.432765
  H      -1.735738      3.059358     -2.206144
  H      -0.678280      1.983403     -0.230156
  H      -2.084691      0.993576      1.570801
  H      -4.921313     -0.044955      6.111847
  H      -3.909052     -1.105325      7.119834
  H      -5.593140     -0.375735      8.555061
  H      -4.237927      0.716530      8.995082
  H      -7.352631      5.819637      8.053008
  H     -10.601601      5.351615      4.869195
  H     -11.569968      3.424568      3.598070
  H     -10.717245      1.119620      3.996108
  H      -8.912915      0.707432      5.634059
  N      -2.103507      2.941720      3.536576
  N      -1.899871      3.942393      2.747326
  H      -2.256678      4.868341      3.037367
  H      -1.774499      3.760589      1.746895
99
Coordinates from ORCA-job orca E -6706.991977360467
  N      -2.491597      3.447118      6.108983
  Mo     -2.538586      1.814076      4.899168
  N      -3.033559      0.676554      6.516905
  C      -1.890454      0.377849      7.384838
  C      -0.807965      1.445888      7.283776
  N      -0.550546      1.827901      5.857631
  C      -0.064971      3.233773      5.756033
  C      -1.230683      4.191725      6.092977
  C       0.385478      0.870406      5.191270
  C      -0.161677      0.582883      3.793645
  N      -1.569745      0.263418      3.943660
  H      -1.259779      5.013674      5.358052
  H      -1.063680      4.655250      7.081724
  H       0.280286      3.377372      4.725549
  H       0.795113      3.376330      6.430768
  H       0.406247     -0.236681      3.320619
  H      -0.054917      1.483557      3.163868
  H       0.395679     -0.056826      5.781405
  H       1.405756      1.284852      5.187571
  H      -2.180000      0.304230      8.448989
  H      -1.479479     -0.618735      7.117641
  H      -1.143842      2.347762      7.804735
  H       0.132601      1.108676      7.748322
  C      -3.330519      3.761996      7.243243
  C      -3.984949      5.139753      7.064296
  O      -4.918515      5.085892      5.960274
  C      -4.467908      5.382171      4.738052
  O      -3.369701      5.869866      4.487482
  C      -5.486571      5.020557      3.682309
  N      -6.344426      4.065270      4.014363
  C      -7.235481      3.678570      3.069535
  N      -7.328345      4.128907      1.832945
  C      -6.453312      5.108018      1.469426
  C      -6.510133      5.612059      0.146306
  C      -5.659256      6.623430     -0.241150
  C      -4.734654      7.176202      0.678421
  C      -4.644786      6.699076      1.969558
  C      -5.485754      5.635229      2.393177
  C      -1.845878     -1.152599      4.072139
  C      -3.321240     -1.471817      3.894514
  O      -3.859442     -0.817735      2.691699
  C      -4.327773      0.403120      2.817857
  O      -4.363615      1.057346      3.874641
  C      -4.852501      0.970111      1.525907
  N      -6.163639      0.985326      1.387268
  C      -6.632498      1.559144      0.239464
  N      -5.921570      2.110951     -0.723097
  C      -4.564955      2.105621     -0.570586
  C      -3.743735      2.706871     -1.556350
  C      -2.372562      2.694862     -1.407946
  C      -1.764324      2.080694     -0.282704
  C      -2.534838      1.488464      0.697054
  C      -3.946924      1.503956      0.571505
  C      -4.225602     -0.056896      6.908017
  C      -4.937806      0.427154      8.174816
  O      -5.694712      1.633140      7.920557
  C      -6.945292      1.448255      7.436592
  O      -7.437128      0.351925      7.233368
  C      -7.630588      2.767346      7.172041
  N      -7.173374      3.811871      7.847969
  C      -7.771083      5.005994      7.614299
  N      -8.750611      5.258101      6.768858
  C      -9.237523      4.194051      6.068904
  C     -10.287446      4.415435      5.143506
  C     -10.808408      3.361267      4.425811
  C     -10.299379      2.052681      4.603795
  C      -9.272950      1.803429      5.491779
  C      -8.713885      2.868042      6.247275
  H      -2.771380      3.797944      8.202608
  H      -4.131546      3.021760      7.337139
  H      -3.246352      5.932909      6.888190
  H      -4.595743      5.375339      7.944235
  H      -7.933790      2.893282      3.367408
  H      -7.242993      5.178179     -0.534493
  H      -5.705009      7.015547     -1.258380
  H      -4.088754      7.996426      0.361042
  H      -3.936675      7.136288      2.669920
  H      -1.549056     -1.600639      5.045424
  H      -1.269438     -1.690600      3.297171
  H      -3.926287     -1.153184      4.744490
  H      -3.471180     -2.540613      3.710605
  H      -7.718235      1.566033      0.130001
  H      -4.226521      3.166930     -2.419664
  H      -1.740797      3.154811     -2.169418
  H      -0.676067      2.070237     -0.201247
  H      -2.074668      1.022844      1.574232
  H      -4.960807     -0.028973      6.091176
  H      -3.964598     -1.121683      7.081433
  H      -5.616419     -0.354426      8.540661
  H      -4.229998      0.701572      8.967367
  H      -7.387500      5.849547      8.196761
  H     -10.658728      5.434109      5.028452
  H     -11.617720      3.532072      3.714596
  H     -10.723736      1.229435      4.027860
  H      -8.889164      0.795047      5.625580
  N      -2.140797      2.945860      3.528702
  N      -1.977509      3.974452      2.765545
  H      -2.370842      4.873502      3.082385
  H      -1.866489      3.823136      1.758264
99
Coordinates from ORCA-job orca E -6706.992001459338
  N      -2.486599      3.449318      6.132080
  Mo     -2.542852      1.823060      4.909965
  N      -3.025821      0.677791      6.526040
  C      -1.879350      0.375173      7.387080
  C      -0.793766      1.438157      7.278886
  N      -0.548712      1.827227      5.851762
  C      -0.062215      3.233359      5.754394
  C      -1.219401      4.185346      6.122020
  C       0.378720      0.871597      5.167735
  C      -0.181977      0.593747      3.772853
  N      -1.590091      0.277072      3.933615
  H      -1.249768      5.022633      5.409990
  H      -1.042076      4.621903      7.117192
  H       0.266782      3.385952      4.718521
  H       0.809806      3.370874      6.416467
  H       0.378409     -0.225671      3.291141
  H      -0.079918      1.497002      3.146724
  H       0.393844     -0.059102      5.751933
  H       1.398286      1.286425      5.154384
  H      -2.161311      0.301424      8.453583
  H      -1.474528     -0.623189      7.115245
  H      -1.119508      2.339425      7.808386
  H       0.149385      1.093969      7.732082
  C      -3.314729      3.756285      7.277545
  C      -3.963725      5.141666      7.119369
  O      -4.894259      5.105846      6.014272
  C      -4.451804      5.453501      4.802779
  O      -3.393915      6.031166      4.574149
  C      -5.431878      5.042728      3.730194
  N      -6.240852      4.041269      4.048973
  C      -7.084964      3.596407      3.087121
  N      -7.169896      4.028367      1.843314
  C      -6.342899      5.052753      1.492210
  C      -6.387814      5.534914      0.160603
  C      -5.584094      6.587651     -0.217296
  C      -4.721669      7.204889      0.721077
  C      -4.644044      6.750866      2.021323
  C      -5.435036      5.646119      2.435957
  C      -1.864521     -1.138460      4.062526
  C      -3.343481     -1.459183      3.911877
  O      -3.904178     -0.811608      2.716201
  C      -4.371062      0.409006      2.842709
  O      -4.373985      1.080400      3.887554
  C      -4.927879      0.962193      1.558781
  N      -6.239551      0.933578      1.425834
  C      -6.729782      1.485262      0.276514
  N      -6.041523      2.055576     -0.690980
  C      -4.684875      2.092393     -0.545121
  C      -3.884518      2.705365     -1.540368
  C      -2.512099      2.723245     -1.403726
  C      -1.881490      2.125898     -0.282259
  C      -2.631489      1.524810      0.708245
  C      -4.044032      1.514426      0.595487
  C      -4.217336     -0.056684      6.917391
  C      -4.937923      0.439414      8.173440
  O      -5.694553      1.641670      7.897958
  C      -6.943119      1.453254      7.412214
  O      -7.439970      0.356832      7.226877
  C      -7.615649      2.770396      7.112437
  N      -7.157041      3.824856      7.772372
  C      -7.743746      5.018746      7.510118
  N      -8.710428      5.262138      6.647138
  C      -9.195358      4.189211      5.959504
  C     -10.230856      4.401345      5.016112
  C     -10.752667      3.337356      4.313202
  C     -10.256241      2.028408      4.522049
  C      -9.241331      1.788243      5.425958
  C      -8.684689      2.862272      6.169888
  H      -2.748119      3.777299      8.233140
  H      -4.120460      3.020199      7.369712
  H      -3.221338      5.935243      6.958943
  H      -4.574201      5.363403      8.003315
  H      -7.748411      2.777911      3.377512
  H      -7.072680      5.048963     -0.534303
  H      -5.620244      6.962439     -1.241401
  H      -4.114263      8.056642      0.411039
  H      -3.982834      7.237452      2.734197
  H      -1.550391     -1.588138      5.029776
  H      -1.304324     -1.674186      3.273898
  H      -3.934130     -1.135355      4.771513
  H      -3.498191     -2.529762      3.736187
  H      -7.815198      1.444973      0.163995
  H      -4.383650      3.148171     -2.402875
  H      -1.895799      3.191827     -2.173252
  H      -0.792152      2.133740     -0.213502
  H      -2.155525      1.071308      1.582161
  H      -4.947867     -0.034209      6.096853
  H      -3.955278     -1.119036      7.100374
  H      -5.618681     -0.338246      8.544095
  H      -4.236059      0.724321      8.967189
  H      -7.363997      5.870523      8.082610
  H     -10.591334      5.421308      4.877221
  H     -11.552225      3.500849      3.589099
  H     -10.680417      1.197229      3.956518
  H      -8.867358      0.779501      5.583281
  N      -2.144276      2.973997      3.554917
  N      -1.998721      4.027290      2.822381
  H      -2.408175      4.909946      3.165871
  H      -1.888803      3.907423      1.809306
99
Coordinates from ORCA-job orca E -6706.992208635860
  N      -2.481501      3.466327      6.139887
  Mo     -2.547971      1.839804      4.914894
  N      -3.020693      0.691524      6.533316
  C      -1.875752      0.388674      7.392934
  C      -0.790753      1.447880      7.283099
  N      -0.550091      1.836070      5.855907
  C      -0.059676      3.240244      5.758101
  C      -1.211059      4.196081      6.130965
  C       0.371649      0.877610      5.169114
  C      -0.193007      0.604802      3.775115
  N      -1.602923      0.294367      3.935415
  H      -1.236952      5.036415      5.421455
  H      -1.030119      4.629364      7.127551
  H       0.264146      3.392856      4.720950
  H       0.816119      3.373626      6.415480
  H       0.362898     -0.215406      3.290044
  H      -0.087996      1.509157      3.151631
  H       0.383686     -0.053559      5.751966
  H       1.393251      1.286924      5.154063
  H      -2.156310      0.314617      8.459579
  H      -1.471998     -0.609654      7.120215
  H      -1.110378      2.349998      7.814553
  H       0.152288      1.099132      7.733060
  C      -3.312005      3.782456      7.280812
  C      -3.950132      5.169892      7.107685
  O      -4.875366      5.126808      5.998034
  C      -4.413714      5.426950      4.781398
  O      -3.330794      5.953810      4.545769
  C      -5.404137      5.033283      3.711782
  N      -6.261054      4.078196      4.047297
  C      -7.117333      3.649508      3.088892
  N      -7.172470      4.054933      1.834389
  C      -6.295436      5.030435      1.466083
  C      -6.307429      5.481956      0.122958
  C      -5.452345      6.486752     -0.272280
  C      -4.569613      7.085799      0.659219
  C      -4.523682      6.660234      1.970523
  C      -5.368707      5.603924      2.403664
  C      -1.885535     -1.120202      4.059126
  C      -3.366977     -1.431206      3.914512
  O      -3.929670     -0.783205      2.720045
  C      -4.390336      0.439629      2.846687
  O      -4.384695      1.112210      3.891071
  C      -4.962396      0.988252      1.567134
  N      -6.274347      0.938693      1.440754
  C      -6.779794      1.491129      0.298217
  N      -6.105854      2.079817     -0.668368
  C      -4.748986      2.138128     -0.529389
  C      -3.964237      2.772568     -1.523424
  C      -2.591636      2.813412     -1.392851
  C      -1.945155      2.220144     -0.278491
  C      -2.679805      1.599443      0.711191
  C      -4.092671      1.563852      0.604208
  C      -4.207562     -0.052817      6.921462
  C      -4.935076      0.424745      8.181195
  O      -5.709790      1.616787      7.912847
  C      -6.952044      1.413815      7.415110
  O      -7.437859      0.311992      7.231843
  C      -7.642980      2.724174      7.130658
  N      -7.191288      3.777696      7.796265
  C      -7.782965      4.969859      7.538323
  N      -8.746299      5.212896      6.671836
  C      -9.224035      4.140766      5.977698
  C     -10.253458      4.353631      5.027785
  C     -10.765443      3.291426      4.315188
  C     -10.264678      1.983578      4.520377
  C      -9.255085      1.742941      5.430016
  C      -8.708916      2.815000      6.184459
  H      -2.749808      3.806146      8.239049
  H      -4.121738      3.052495      7.374034
  H      -3.201670      5.955949      6.941432
  H      -4.563782      5.406195      7.985581
  H      -7.822464      2.872034      3.393842
  H      -7.008655      5.011552     -0.566533
  H      -5.462627      6.838002     -1.305269
  H      -3.920771      7.900764      0.334647
  H      -3.846517      7.132907      2.678421
  H      -1.570126     -1.575400      5.023502
  H      -1.331017     -1.656031      3.266611
  H      -3.951064     -1.100877      4.776257
  H      -3.529405     -2.500914      3.742494
  H      -7.865168      1.432114      0.190033
  H      -4.475180      3.212757     -2.380193
  H      -1.987699      3.298507     -2.161429
  H      -0.855812      2.246879     -0.214683
  H      -2.191907      1.148874      1.579901
  H      -4.937905     -0.031730      6.100459
  H      -3.937165     -1.114349      7.096689
  H      -5.604224     -0.365604      8.546062
  H      -4.238219      0.715209      8.977540
  H      -7.403306      5.821645      8.110695
  H     -10.616991      5.372796      4.891186
  H     -11.560092      3.455523      3.585616
  H     -10.680587      1.153769      3.946531
  H      -8.876832      0.735304      5.583318
  N      -2.127242      2.994068      3.568599
  N      -1.953779      4.049625      2.845050
  H      -2.322877      4.945431      3.202496
  H      -1.853155      3.936724      1.830424
99
Coordinates from ORCA-job orca E -6706.992002176373
  N      -2.472509      3.450528      6.113039
  Mo     -2.529800      1.806068      4.909982
  N      -3.020669      0.685919      6.541731
  C      -1.879434      0.394239      7.412332
  C      -0.789564      1.451907      7.295162
  N      -0.537594      1.821081      5.865393
  C      -0.049974      3.224530      5.749232
  C      -1.207579      4.187373      6.099520
  C       0.391372      0.855481      5.202306
  C      -0.161713      0.562260      3.808596
  N      -1.571204      0.251495      3.964410
  H      -1.229743      5.018662      5.373520
  H      -1.033718      4.641438      7.092514
  H       0.276718      3.361734      4.712392
  H       0.821934      3.368171      6.407418
  H       0.399884     -0.261617      3.336037
  H      -0.053306      1.459290      3.174672
  H       0.399068     -0.067415      5.798465
  H       1.414250      1.262730      5.191729
  H      -2.167624      0.337791      8.477631
  H      -1.475183     -0.608666      7.159237
  H      -1.109208      2.361167      7.813205
  H       0.149951      1.106566      7.755908
  C      -3.308681      3.762077      7.250353
  C      -3.972508      5.136018      7.082881
  O      -4.902410      5.081790      5.973677
  C      -4.448488      5.397007      4.758132
  O      -3.359254      5.913928      4.524087
  C      -5.455029      5.040506      3.688048
  N      -6.320965      4.086844      4.004151
  C      -7.203498      3.709696      3.047678
  N      -7.283694      4.170819      1.814083
  C      -6.399038      5.146760      1.465567
  C      -6.442780      5.661548      0.145648
  C      -5.579078      6.666605     -0.228512
  C      -4.654347      7.202522      0.701044
  C      -4.578769      6.716857      1.989864
  C      -5.435065      5.660447      2.401397
  C      -1.857987     -1.163156      4.092515
  C      -3.337065     -1.471819      3.932279
  O      -3.887347     -0.830246      2.728099
  C      -4.349439      0.393736      2.844249
  O      -4.362665      1.063591      3.891560
  C      -4.913766      0.937448      1.558466
  N      -6.226530      0.894764      1.437502
  C      -6.735195      1.449474      0.297176
  N      -6.061547      2.030590     -0.674721
  C      -4.704014      2.085439     -0.540758
  C      -3.924116      2.723106     -1.536783
  C      -2.552312      2.774979     -1.405323
  C      -1.902078      2.194358     -0.285920
  C      -2.632142      1.570524      0.704935
  C      -4.045115      1.516400      0.595134
  C      -4.213936     -0.041826      6.940933
  C      -4.930039      0.443805      8.205963
  O      -5.702128      1.637976      7.942014
  C      -6.939655      1.433895      7.429514
  O      -7.416407      0.330059      7.230025
  C      -7.634613      2.742794      7.144962
  N      -7.195457      3.795979      7.818488
  C      -7.787205      4.986679      7.554524
  N      -8.739700      5.228001      6.676239
  C      -9.207094      4.154800      5.976626
  C     -10.224077      4.366298      5.012717
  C     -10.721476      3.304466      4.289915
  C     -10.220409      1.997658      4.500690
  C      -9.225090      1.758179      5.425861
  C      -8.691226      2.830799      6.188367
  H      -2.746606      3.794837      8.208338
  H      -4.105704      3.019504      7.344515
  H      -3.243744      5.939343      6.916721
  H      -4.590224      5.356217      7.961714
  H      -7.910802      2.928167      3.334659
  H      -7.173939      5.238211     -0.543791
  H      -5.613310      7.065887     -1.243446
  H      -3.996984      8.017206      0.393254
  H      -3.869697      7.141070      2.697832
  H      -1.554057     -1.613848      5.062582
  H      -1.291470     -1.704128      3.312311
  H      -3.927859     -1.135656      4.785423
  H      -3.497481     -2.541516      3.765042
  H      -7.822288      1.410051      0.202821
  H      -4.438604      3.158790     -2.394102
  H      -1.953369      3.262832     -2.175334
  H      -0.813602      2.234683     -0.218245
  H      -2.140249      1.129958      1.577342
  H      -4.950249     -0.018904      6.124629
  H      -3.954419     -1.106460      7.117824
  H      -5.598647     -0.343892      8.576899
  H      -4.226741      0.733935      8.997023
  H      -7.413094      5.838457      8.130520
  H     -10.589535      5.383791      4.871998
  H     -11.504995      3.467728      3.548345
  H     -10.625046      1.168181      3.919224
  H      -8.845811      0.751672      5.582938
  N      -2.124000      2.931150      3.534641
  N      -1.960788      3.964436      2.779134
  H      -2.346214      4.866196      3.101507
  H      -1.836103      3.820501      1.773274
99
Coordinates from ORCA-job orca E -6706.992409833212
  N      -2.474115      3.461380      6.128532
  Mo     -2.536098      1.830231      4.906445
  N      -3.022707      0.690600      6.525783
  C      -1.880835      0.388703      7.391727
  C      -0.789843      1.445530      7.282282
  N      -0.542218      1.830729      5.855361
  C      -0.052154      3.234714      5.754347
  C      -1.204811      4.191873      6.126308
  C       0.382742      0.871291      5.175534
  C      -0.176014      0.594779      3.779855
  N      -1.585558      0.284292      3.938719
  H      -1.225834      5.036642      5.419433
  H      -1.027259      4.622757      7.126361
  H       0.268937      3.385205      4.716480
  H       0.824581      3.369440      6.409570
  H       0.381782     -0.226085      3.297780
  H      -0.069038      1.497920      3.154302
  H       0.391731     -0.058885      5.760683
  H       1.405417      1.279002      5.165063
  H      -2.167090      0.322259      8.457346
  H      -1.478803     -0.612619      7.127718
  H      -1.106751      2.349675      7.811745
  H       0.150685      1.094001      7.735819
  C      -3.306294      3.764681      7.271602
  C      -3.958825      5.147208      7.117725
  O      -4.886658      5.111539      6.008186
  C      -4.430399      5.439282      4.796965
  O      -3.348825      5.974090      4.570279
  C      -5.415607      5.049825      3.720317
  N      -6.270212      4.088923      4.044477
  C      -7.130041      3.674157      3.083312
  N      -7.194357      4.101737      1.836739
  C      -6.319920      5.083541      1.479530
  C      -6.344378      5.560250      0.145055
  C      -5.489560      6.568826     -0.240273
  C      -4.593777      7.146164      0.692462
  C      -4.537141      6.697799      1.995738
  C      -5.383855      5.638682      2.419549
  C      -1.868552     -1.130933      4.063210
  C      -3.348958     -1.442040      3.920542
  O      -3.912163     -0.801836      2.722032
  C      -4.374336      0.421778      2.838835
  O      -4.369905      1.102282      3.878670
  C      -4.941910      0.960048      1.552785
  N      -6.253611      0.909969      1.424584
  C      -6.756652      1.453494      0.276553
  N      -6.080273      2.030695     -0.695284
  C      -4.723925      2.089827     -0.554529
  C      -3.938065      2.717371     -1.552332
  C      -2.566128      2.762003     -1.418364
  C      -1.921396      2.178909     -0.297278
  C      -2.657484      1.566226      0.696214
  C      -4.070289      1.527436      0.586892
  C      -4.217055     -0.038207      6.918892
  C      -4.934102      0.450182      8.181318
  O      -5.706049      1.644380      7.913919
  C      -6.949396      1.439956      7.418409
  O      -7.428531      0.336515      7.225421
  C      -7.643172      2.748103      7.128041
  N      -7.200095      3.805514      7.793076
  C      -7.802477      4.992457      7.534911
  N      -8.771165      5.225908      6.671852
  C      -9.242185      4.148706      5.981053
  C     -10.279026      4.350850      5.036705
  C     -10.784754      3.283211      4.327958
  C     -10.271317      1.980163      4.532620
  C      -9.255734      1.749869      5.438111
  C      -8.714103      2.828272      6.186754
  H      -2.742541      3.783330      8.229013
  H      -4.110107      3.027045      7.359295
  H      -3.221494      5.945464      6.961068
  H      -4.574871      5.363493      7.998988
  H      -7.828695      2.887158      3.377358
  H      -7.053670      5.104661     -0.546257
  H      -5.508981      6.938829     -1.266621
  H      -3.943469      7.962969      0.375509
  H      -3.849557      7.153020      2.704899
  H      -1.551847     -1.585293      5.027445
  H      -1.312625     -1.667156      3.272021
  H      -3.931953     -1.106108      4.780031
  H      -3.510607     -2.512655      3.755067
  H      -7.842556      1.403344      0.172143
  H      -4.447702      3.150446     -2.413735
  H      -1.961822      3.242601     -2.189397
  H      -0.832252      2.207736     -0.231100
  H      -2.170251      1.123696      1.569868
  H      -4.950993     -0.011280      6.101067
  H      -3.958904     -1.102996      7.094763
  H      -5.603233     -0.335883      8.555070
  H      -4.230685      0.742066      8.971284
  H      -7.431263      5.846990      8.108780
  H     -10.653445      5.365957      4.900759
  H     -11.584522      3.439075      3.602424
  H     -10.682718      1.145992      3.962432
  H      -8.868076      0.745804      5.591763
  N      -2.125831      2.976441      3.549194
  N      -1.966313      4.030385      2.821235
  H      -2.355732      4.921159      3.169166
  H      -1.852086      3.913766      1.809407
99
Coordinates from ORCA-job orca E -6706.992149887619
  N      -2.472044      3.459542      6.158699
  Mo     -2.540064      1.836046      4.924431
  N      -3.018394      0.682244      6.536036
  C      -1.873292      0.373651      7.395326
  C      -0.781635      1.429793      7.287052
  N      -0.542611      1.827260      5.861881
  C      -0.051750      3.232074      5.770601
  C      -1.199141      4.184654      6.164116
  C       0.377807      0.873259      5.166856
  C      -0.187569      0.613205      3.770198
  N      -1.597104      0.302073      3.932424
  H      -1.219507      5.041940      5.474485
  H      -1.016472      4.595102      7.170414
  H       0.260064      3.392749      4.730845
  H       0.831491      3.360188      6.419277
  H       0.366564     -0.203362      3.276932
  H      -0.083135      1.523060      3.154066
  H       0.387836     -0.063484      5.741563
  H       1.400640      1.280514      5.156373
  H      -2.154626      0.301966      8.462075
  H      -1.474237     -0.626951      7.123932
  H      -1.094283      2.329741      7.826500
  H       0.161502      1.073599      7.731265
  C      -3.304206      3.760672      7.302277
  C      -3.953653      5.145046      7.144214
  O      -4.878236      5.103072      6.032811
  C      -4.416619      5.419388      4.820869
  O      -3.349230      5.982865      4.596680
  C      -5.389865      5.009642      3.741178
  N      -6.243750      4.050420      4.072938
  C      -7.082764      3.605856      3.106817
  N      -7.123678      3.998603      1.847837
  C      -6.248857      4.976672      1.482440
  C      -6.245238      5.412732      0.133986
  C      -5.389600      6.416707     -0.261763
  C      -4.521716      7.029843      0.674258
  C      -4.492144      6.620653      1.991307
  C      -5.338943      5.566363      2.426905
  C      -1.877569     -1.114880      4.041132
  C      -3.358541     -1.426741      3.914572
  O      -3.939896     -0.780500      2.727262
  C      -4.410891      0.438228      2.858723
  O      -4.378436      1.121923      3.894325
  C      -5.018281      0.973066      1.589759
  N      -6.326963      0.864452      1.468107
  C      -6.860875      1.406247      0.333127
  N      -6.218067      2.032052     -0.630997
  C      -4.864920      2.149791     -0.496795
  C      -4.112578      2.826608     -1.488180
  C      -2.742342      2.923825     -1.363260
  C      -2.065616      2.345363     -0.258803
  C      -2.768854      1.686265      0.728820
  C      -4.179670      1.595005      0.629210
  C      -4.214503     -0.041124      6.933747
  C      -4.928761      0.461253      8.191698
  O      -5.694343      1.656278      7.908816
  C      -6.936317      1.453778      7.411243
  O      -7.425315      0.351747      7.237404
  C      -7.611789      2.762359      7.083578
  N      -7.168252      3.828752      7.734357
  C      -7.752000      5.016678      7.439770
  N      -8.699629      5.242911      6.551410
  C      -9.167775      4.157245      5.872030
  C     -10.179953      4.351560      4.899858
  C     -10.682670      3.274939      4.202380
  C     -10.190684      1.970387      4.446499
  C      -9.199315      1.747158      5.380236
  C      -8.661259      2.835020      6.117774
  H      -2.742279      3.777529      8.260773
  H      -4.111054      3.025595      7.388064
  H      -3.213687      5.941324      6.986829
  H      -4.570837      5.365386      8.023863
  H      -7.782559      2.822139      3.407168
  H      -6.933957      4.929661     -0.559254
  H      -5.387683      6.755831     -1.298870
  H      -3.871252      7.843259      0.348821
  H      -3.826168      7.103724      2.702319
  H      -1.546299     -1.582451      4.994144
  H      -1.333356     -1.638814      3.233655
  H      -3.932055     -1.097643      4.783172
  H      -3.520666     -2.496913      3.744552
  H      -7.943022      1.300985      0.228527
  H      -4.645187      3.253663     -2.338610
  H      -2.163344      3.441774     -2.129931
  H      -0.977586      2.413733     -0.202372
  H      -2.257063      1.245412      1.589227
  H      -4.948804     -0.014540      6.116378
  H      -3.960638     -1.105810      7.115084
  H      -5.601826     -0.317206      8.574167
  H      -4.223783      0.758575      8.978138
  H      -7.385307      5.878972      8.005142
  H     -10.538204      5.368186      4.734022
  H     -11.463952      3.424830      3.455806
  H     -10.599542      1.129041      3.884945
  H      -8.828031      0.741936      5.563924
  N      -2.134575      2.999216      3.578642
  N      -1.974707      4.075854      2.883969
  H      -2.347725      4.958789      3.269536
  H      -1.885045      3.992226      1.865638
99
Coordinates from ORCA-job orca E -6706.992456730669
  N      -2.475524      3.461586      6.141169
  Mo     -2.539011      1.831686      4.915067
  N      -3.018671      0.687705      6.533736
  C      -1.876298      0.384493      7.397526
  C      -0.785367      1.440668      7.287637
  N      -0.542431      1.830723      5.861388
  C      -0.054400      3.235608      5.763299
  C      -1.205176      4.189498      6.146014
  C       0.381053      0.874242      5.175331
  C      -0.180774      0.602169      3.779953
  N      -1.590106      0.291522      3.941094
  H      -1.223996      5.041693      5.448817
  H      -1.026730      4.609480      7.149923
  H       0.259708      3.390503      4.723757
  H       0.826574      3.369345      6.413257
  H       0.375542     -0.217259      3.294030
  H      -0.075291      1.506970      3.156967
  H       0.392087     -0.057886      5.757051
  H       1.403358      1.282421      5.163197
  H      -2.161249      0.317202      8.463469
  H      -1.474921     -0.616822      7.132208
  H      -1.098239      2.343344      7.822050
  H       0.156165      1.085953      7.736538
  C      -3.313732      3.766238      7.279172
  C      -3.968374      5.146313      7.114236
  O      -4.888181      5.100142      5.998310
  C      -4.424203      5.418526      4.787321
  O      -3.351749      5.972915      4.564800
  C      -5.405799      5.026237      3.708145
  N      -6.256522      4.061013      4.029779
  C      -7.110851      3.640779      3.066162
  N      -7.176844      4.070633      1.820483
  C      -6.306844      5.057160      1.465743
  C      -6.332914      5.535550      0.131879
  C      -5.480753      6.546624     -0.252649
  C      -4.586197      7.124797      0.680592
  C      -4.529184      6.676002      1.983715
  C      -5.373568      5.614788      2.407035
  C      -1.872983     -1.124331      4.058396
  C      -3.353889     -1.435414      3.922918
  O      -3.924385     -0.794451      2.728658
  C      -4.387436      0.428545      2.847775
  O      -4.373851      1.112685      3.885021
  C      -4.965875      0.961846      1.564484
  N      -6.276766      0.889308      1.435617
  C      -6.787650      1.420165      0.285265
  N      -6.120154      2.003641     -0.688917
  C      -4.765109      2.085973     -0.547537
  C      -3.988445      2.719242     -1.548835
  C      -2.617517      2.786659     -1.414280
  C      -1.964490      2.221286     -0.289064
  C      -2.691515      1.603266      0.707684
  C      -4.103425      1.540927      0.597489
  C      -4.213011     -0.040768      6.927871
  C      -4.929476      0.445515      8.191598
  O      -5.702485      1.639669      7.925973
  C      -6.938234      1.435594      7.411538
  O      -7.413725      0.332245      7.209830
  C      -7.636258      2.743908      7.134052
  N      -7.205371      3.792832      7.820191
  C      -7.807134      4.981974      7.570626
  N      -8.762493      5.225753      6.695692
  C      -9.219083      4.158021      5.980979
  C     -10.238540      4.372782      5.020645
  C     -10.727511      3.315563      4.284980
  C     -10.213768      2.010836      4.477754
  C      -9.215022      1.768391      5.398763
  C      -8.691398      2.835629      6.175795
  H      -2.755255      3.789524      8.239624
  H      -4.116805      3.027816      7.365201
  H      -3.232421      5.946010      6.958411
  H      -4.591389      5.365081      7.989915
  H      -7.805067      2.848729      3.357802
  H      -7.040846      5.078216     -0.559705
  H      -5.501253      6.917769     -1.278545
  H      -3.937409      7.943121      0.364391
  H      -3.843354      7.132515      2.693559
  H      -1.550541     -1.584173      5.018189
  H      -1.321618     -1.655434      3.260564
  H      -3.931681     -1.099781      4.786058
  H      -3.516566     -2.505991      3.757621
  H      -7.872382      1.347286      0.177837
  H      -4.504246      3.138319     -2.413325
  H      -2.020429      3.272125     -2.187923
  H      -0.875877      2.266848     -0.223044
  H      -2.197908      1.173532      1.583855
  H      -4.948111     -0.011121      6.111312
  H      -3.956240     -1.106248      7.100827
  H      -5.597624     -0.341665      8.564857
  H      -4.226282      0.737592      8.981665
  H      -7.446176      5.829280      8.161295
  H     -10.612792      5.389183      4.893624
  H     -11.513587      3.481207      3.546645
  H     -10.611268      1.185026      3.885686
  H      -8.826795      0.763206      5.542577
  N      -2.125717      2.986163      3.564749
  N      -1.963220      4.046935      2.847706
  H      -2.338929      4.938164      3.209216
  H      -1.856516      3.942217      1.833560
99
Coordinates from ORCA-job orca E -6706.992106716209
  N      -2.444922      3.475037      6.136960
  Mo     -2.523924      1.844085      4.910723
  N      -3.019438      0.702051      6.525405
  C      -1.879356      0.391541      7.391343
  C      -0.779232      1.440430      7.282415
  N      -0.529642      1.826164      5.856102
  C      -0.027383      3.225932      5.755282
  C      -1.167862      4.191325      6.141879
  C       0.385765      0.860143      5.172976
  C      -0.176121      0.594402      3.776374
  N      -1.588266      0.296234      3.936584
  H      -1.178542      5.048125      5.448033
  H      -0.983761      4.605310      7.148652
  H       0.285049      3.376862      4.715064
  H       0.856357      3.350718      6.402719
  H       0.373332     -0.229925      3.290706
  H      -0.061429      1.498750      3.153920
  H       0.385101     -0.072388      5.754494
  H       1.412728      1.257256      5.164633
  H      -2.166514      0.327703      8.456821
  H      -1.484754     -0.612798      7.128217
  H      -1.087626      2.346009      7.814538
  H       0.159026      1.080032      7.733873
  C      -3.270171      3.774682      7.286281
  C      -3.913599      5.164367      7.155493
  O      -4.849194      5.150788      6.051960
  C      -4.395563      5.482940      4.841605
  O      -3.301086      5.991471      4.613858
  C      -5.376886      5.083008      3.764977
  N      -6.258636      4.154423      4.109997
  C      -7.122883      3.734270      3.155622
  N      -7.168570      4.127188      1.896845
  C      -6.265880      5.074492      1.517531
  C      -6.270533      5.512447      0.169493
  C      -5.386069      6.485008     -0.240390
  C      -4.478911      7.063938      0.680221
  C      -4.441903      6.653494      1.996659
  C      -5.320391      5.631794      2.447294
  C      -1.881918     -1.117803      4.055583
  C      -3.365442     -1.415509      3.930875
  O      -3.937873     -0.777669      2.734864
  C      -4.394901      0.448288      2.848818
  O      -4.364851      1.141133      3.879309
  C      -4.986877      0.974048      1.568385
  N      -6.297621      0.891009      1.447597
  C      -6.820546      1.428312      0.305404
  N      -6.164410      2.024326     -0.668798
  C      -4.809214      2.116382     -0.536124
  C      -4.044934      2.766043     -1.536552
  C      -2.673939      2.845102     -1.409730
  C      -2.008529      2.276310     -0.293260
  C      -2.723505      1.643527      0.702961
  C      -4.135580      1.568705      0.600868
  C      -4.218388     -0.020689      6.917086
  C      -4.939805      0.475056      8.174502
  O      -5.723273      1.658249      7.892630
  C      -6.967772      1.436721      7.407536
  O      -7.443265      0.327199      7.241465
  C      -7.662189      2.734886      7.078217
  N      -7.212392      3.813084      7.703861
  C      -7.812080      4.992216      7.407066
  N      -8.784113      5.198398      6.540716
  C      -9.262283      4.099057      5.890648
  C     -10.303081      4.271064      4.944613
  C     -10.815355      3.180733      4.276210
  C     -10.304344      1.884200      4.523540
  C      -9.284333      1.682934      5.430923
  C      -8.736947      2.785161      6.139536
  H      -2.701429      3.777150      8.240845
  H      -4.080058      3.043818      7.369735
  H      -3.172330      5.960016      7.004866
  H      -4.523580      5.372903      8.043064
  H      -7.844535      2.975451      3.467980
  H      -6.988591      5.055976     -0.512204
  H      -5.390044      6.824952     -1.277268
  H      -3.803702      7.852034      0.343232
  H      -3.745220      7.109603      2.696272
  H      -1.555603     -1.580977      5.012422
  H      -1.340534     -1.653304      3.253870
  H      -3.935696     -1.069799      4.794816
  H      -3.537901     -2.485524      3.773294
  H      -7.905970      1.357553      0.209799
  H      -4.569619      3.188446     -2.394283
  H      -2.086455      3.342470     -2.183074
  H      -0.920013      2.331465     -0.233876
  H      -2.219497      1.210347      1.572040
  H      -4.949311      0.003400      6.096279
  H      -3.963830     -1.085434      7.098258
  H      -5.601141     -0.312382      8.558837
  H      -4.238662      0.783550      8.960172
  H      -7.431433      5.865668      7.945367
  H     -10.675621      5.281704      4.774956
  H     -11.618497      3.313474      3.549864
  H     -10.720367      1.031898      3.984538
  H      -8.898378      0.683738      5.617392
  N      -2.110216      2.987644      3.550635
  N      -1.946675      4.046577      2.831260
  H      -2.342768      4.934640      3.180590
  H      -1.825585      3.936461      1.819778
99
Coordinates from ORCA-job orca E -6706.992532637294
  N      -2.470838      3.466216      6.142490
  Mo     -2.536813      1.835817      4.914437
  N      -3.018331      0.693016      6.533515
  C      -1.876488      0.388038      7.397296
  C      -0.783267      1.441773      7.286516
  N      -0.540551      1.831678      5.860402
  C      -0.050934      3.236049      5.762140
  C      -1.198311      4.190294      6.153653
  C       0.381189      0.874157      5.173606
  C      -0.181089      0.605101      3.777800
  N      -1.591148      0.296602      3.938820
  H      -1.213463      5.050554      5.465239
  H      -1.018292      4.599639      7.162351
  H       0.257668      3.392242      4.721331
  H       0.833575      3.367518      6.407533
  H       0.373566     -0.214656      3.290580
  H      -0.074189      1.510622      3.156073
  H       0.389965     -0.058733      5.754161
  H       1.404469      1.280105      5.162383
  H      -2.161519      0.322960      8.463349
  H      -1.477527     -0.614512      7.133398
  H      -1.093504      2.344984      7.821556
  H       0.157833      1.084784      7.734633
  C      -3.307938      3.764530      7.283109
  C      -3.958601      5.148478      7.133211
  O      -4.876173      5.116795      6.014836
  C      -4.405552      5.443364      4.808880
  O      -3.326245      5.989286      4.597097
  C      -5.375276      5.049962      3.719008
  N      -6.243284      4.099626      4.038967
  C      -7.088413      3.678512      3.067862
  N      -7.128915      4.092142      1.815618
  C      -6.240089      5.062011      1.461884
  C      -6.237736      5.521112      0.120929
  C      -5.365729      6.514891     -0.263942
  C      -4.478898      7.094582      0.675758
  C      -4.449440      6.664295      1.986035
  C      -5.315005      5.620777      2.410850
  C      -1.876054     -1.119453      4.052141
  C      -3.357719     -1.427720      3.924909
  O      -3.935490     -0.789967      2.731905
  C      -4.399387      0.432946      2.849508
  O      -4.372073      1.124856      3.880768
  C      -4.998971      0.956422      1.571693
  N      -6.308952      0.858457      1.451648
  C      -6.838205      1.386881      0.308395
  N      -6.189146      1.987588     -0.667756
  C      -4.834959      2.094922     -0.535909
  C      -4.077650      2.748118     -1.539236
  C      -2.707288      2.840443     -1.414169
  C      -2.035512      2.281402     -0.296784
  C      -2.743635      1.645419      0.702217
  C      -4.154934      1.557583      0.601989
  C      -4.214892     -0.029049      6.932853
  C      -4.926390      0.464735      8.196688
  O      -5.706224      1.653264      7.926080
  C      -6.945387      1.437981      7.424547
  O      -7.414420      0.330209      7.231562
  C      -7.646509      2.739363      7.123453
  N      -7.220310      3.801937      7.791210
  C      -7.828070      4.983604      7.521158
  N      -8.785377      5.207282      6.642907
  C      -9.237674      4.124834      5.947857
  C     -10.259501      4.317075      4.985233
  C     -10.744530      3.244156      4.269929
  C     -10.224851      1.945505      4.486339
  C      -9.223622      1.724840      5.410054
  C      -8.703513      2.808855      6.165781
  H      -2.748984      3.776576      8.243467
  H      -4.113913      3.028540      7.362667
  H      -3.220616      5.948167      6.987922
  H      -4.582588      5.358847      8.010214
  H      -7.797088      2.899231      3.358631
  H      -6.940033      5.062578     -0.575637
  H      -5.364192      6.871118     -1.295326
  H      -3.813665      7.899252      0.358704
  H      -3.769074      7.121936      2.700528
  H      -1.547945     -1.583586      5.007930
  H      -1.330459     -1.648209      3.248795
  H      -3.929981     -1.088796      4.790170
  H      -3.522796     -2.498500      3.763902
  H      -7.922589      1.298243      0.210609
  H      -4.607353      3.162046     -2.397846
  H      -2.125127      3.340681     -2.189708
  H      -0.947366      2.346019     -0.239113
  H      -2.235231      1.219514      1.572020
  H      -4.952120     -0.000689      6.118049
  H      -3.961230     -1.094688      7.109440
  H      -5.589201     -0.321832      8.580536
  H      -4.219747      0.766199      8.980155
  H      -7.470965      5.842862      8.096658
  H     -10.638918      5.329080      4.840170
  H     -11.532534      3.392450      3.530002
  H     -10.619318      1.107077      3.910324
  H      -8.830627      0.724184      5.572123
  N      -2.120330      2.990000      3.563964
  N      -1.955628      4.054775      2.853916
  H      -2.330299      4.944850      3.220310
  H      -1.848260      3.956276      1.839453
99
Coordinates from ORCA-job orca E -6706.992491240402
  N      -2.447522      3.467047      6.154183
  Mo     -2.524711      1.839012      4.923392
  N      -3.015626      0.693516      6.537055
  C      -1.875243      0.379080      7.400639
  C      -0.774357      1.427045      7.293253
  N      -0.528433      1.820314      5.868214
  C      -0.029624      3.221932      5.773296
  C      -1.170229      4.181946      6.168469
  C       0.387152      0.859392      5.177665
  C      -0.176794      0.597889      3.780809
  N      -1.588341      0.297934      3.942775
  H      -1.178844      5.045265      5.484755
  H      -0.987844      4.584889      7.178650
  H       0.278921      3.378833      4.732316
  H       0.856478      3.346635      6.418275
  H       0.372327     -0.224498      3.291687
  H      -0.064200      1.504037      3.160812
  H       0.390316     -0.075694      5.755039
  H       1.412880      1.259299      5.167796
  H      -2.161521      0.312804      8.466346
  H      -1.482123     -0.625228      7.134464
  H      -1.079211      2.330225      7.831588
  H       0.164601      1.062931      7.740158
  C      -3.283305      3.770470      7.294014
  C      -3.933227      5.154173      7.138154
  O      -4.860282      5.115851      6.028064
  C      -4.402117      5.435167      4.815247
  O      -3.328374      5.985305      4.587948
  C      -5.382375      5.030034      3.739475
  N      -6.229245      4.064550      4.070530
  C      -7.080281      3.629562      3.110875
  N      -7.146559      4.044629      1.860264
  C      -6.280973      5.031190      1.495671
  C      -6.308082      5.493486      0.156145
  C      -5.460820      6.504211     -0.239899
  C      -4.570701      7.098169      0.687433
  C      -4.513126      6.665558      1.996045
  C      -5.351774      5.604483      2.431650
  C      -1.880206     -1.116855      4.053223
  C      -3.363476     -1.417014      3.932041
  O      -3.941417     -0.776113      2.741116
  C      -4.399970      0.448936      2.858906
  O      -4.364778      1.143503      3.888254
  C      -4.999051      0.971068      1.580342
  N      -6.308744      0.870827      1.457637
  C      -6.835344      1.388723      0.308499
  N      -6.184490      1.981778     -0.671039
  C      -4.830990      2.092280     -0.536115
  C      -4.071554      2.736386     -1.543824
  C      -2.701574      2.830595     -1.416412
  C      -2.032226      2.281169     -0.292818
  C      -2.742204      1.653108      0.709758
  C      -4.153321      1.564593      0.607767
  C      -4.216340     -0.025896      6.929056
  C      -4.935518      0.470396      8.187652
  O      -5.710551      1.660560      7.909135
  C      -6.942056      1.447811      7.388704
  O      -7.415423      0.340989      7.201285
  C      -7.642020      2.750869      7.092389
  N      -7.219169      3.808901      7.769695
  C      -7.823529      4.993009      7.502525
  N      -8.774250      5.223196      6.618681
  C      -9.221501      4.146097      5.912183
  C     -10.234528      4.346345      4.941949
  C     -10.713437      3.279285      4.213837
  C     -10.196043      1.978784      4.424525
  C      -9.204235      1.750072      5.356473
  C      -8.690456      2.827943      6.125462
  H      -2.723165      3.786432      8.253594
  H      -4.090195      3.035789      7.377484
  H      -3.195197      5.952136      6.981455
  H      -4.550693      5.371340      8.018318
  H      -7.769336      2.835752      3.409462
  H      -7.013327      5.024125     -0.530133
  H      -5.482365      6.863171     -1.270084
  H      -3.925998      7.916392      0.362478
  H      -3.832235      7.135537      2.701652
  H      -1.550136     -1.585352      5.006172
  H      -1.341130     -1.646056      3.245778
  H      -3.930965     -1.075146      4.799457
  H      -3.534814     -2.486948      3.771375
  H      -7.919074      1.294579      0.206641
  H      -4.599287      3.142060     -2.407609
  H      -2.117665      3.324080     -2.195198
  H      -0.944157      2.346115     -0.233707
  H      -2.235116      1.234205      1.583606
  H      -4.948279      0.005201      6.109662
  H      -3.967086     -1.092401      7.106374
  H      -5.602703     -0.314085      8.568019
  H      -4.233830      0.771520      8.975608
  H      -7.471108      5.848167      8.087324
  H     -10.611874      5.359750      4.801049
  H     -11.494474      3.433819      3.467916
  H     -10.585504      1.145111      3.838322
  H      -8.813508      0.747970      5.514334
  N      -2.108728      2.995762      3.574283
  N      -1.941965      4.063715      2.869178
  H      -2.306593      4.954275      3.243476
  H      -1.842612      3.971503      1.852938
99
Coordinates from ORCA-job orca E -6706.992592250344
  N      -2.457875      3.468358      6.158359
  Mo     -2.533143      1.840270      4.926597
  N      -3.013900      0.692531      6.542172
  C      -1.870742      0.381384      7.402440
  C      -0.773916      1.432265      7.292181
  N      -0.534145      1.826790      5.866784
  C      -0.040373      3.230003      5.771366
  C      -1.182158      4.186071      6.173493
  C       0.382280      0.869064      5.173127
  C      -0.185134      0.606709      3.777845
  N      -1.595553      0.302593      3.943293
  H      -1.193400      5.053122      5.493546
  H      -0.998520      4.585186      7.185606
  H       0.262291      3.389131      4.729209
  H       0.848469      3.356540      6.411889
  H       0.364921     -0.213659      3.286473
  H      -0.076938      1.513552      3.158270
  H       0.389792     -0.066222      5.749959
  H       1.406905      1.271679      5.160435
  H      -2.153950      0.314355      8.468883
  H      -1.475381     -0.621716      7.135236
  H      -1.079235      2.334344      7.832017
  H       0.167424      1.070389      7.735901
  C      -3.295854      3.768145      7.297674
  C      -3.942901      5.153743      7.147378
  O      -4.860839      5.123253      6.029252
  C      -4.390580      5.447115      4.822225
  O      -3.312274      5.993948      4.608151
  C      -5.362140      5.051791      3.734746
  N      -6.223467      4.095813      4.055813
  C      -7.068301      3.670305      3.086492
  N      -7.115753      4.085906      1.835188
  C      -6.234726      5.062475      1.480564
  C      -6.240846      5.524443      0.140597
  C      -5.377512      6.525203     -0.245639
  C      -4.491475      7.109285      0.691997
  C      -4.454067      6.676611      2.001306
  C      -5.310096      5.625667      2.427390
  C      -1.884030     -1.113087      4.052815
  C      -3.367362     -1.416097      3.938918
  O      -3.953940     -0.778664      2.750032
  C      -4.414932      0.445458      2.867937
  O      -4.373474      1.143190      3.894647
  C      -5.027067      0.963052      1.593625
  N      -6.337162      0.856243      1.481814
  C      -6.876048      1.374283      0.338461
  N      -6.236330      1.971277     -0.646055
  C      -4.882241      2.087543     -0.522903
  C      -4.134642      2.736752     -1.536145
  C      -2.764123      2.837302     -1.420443
  C      -2.082548      2.290153     -0.303043
  C      -2.781029      1.658284      0.705261
  C      -4.192509      1.562600      0.615015
  C      -4.211835     -0.027483      6.941177
  C      -4.925478      0.471574      8.201852
  O      -5.705996      1.657783      7.922334
  C      -6.939654      1.438426      7.409379
  O      -7.408494      0.329167      7.224482
  C      -7.637931      2.737437      7.092647
  N      -7.217751      3.804532      7.757002
  C      -7.820762      4.984862      7.470817
  N      -8.767266      5.202932      6.579444
  C      -9.212108      4.116000      5.886563
  C     -10.220838      4.302559      4.909093
  C     -10.696731      3.225332      4.194117
  C     -10.180636      1.927851      4.425627
  C      -9.192740      1.712414      5.364826
  C      -8.682375      2.801009      6.120741
  H      -2.738237      3.777940      8.258854
  H      -4.104437      3.034826      7.375307
  H      -3.203263      5.951927      7.001670
  H      -4.566615      5.365653      8.024306
  H      -7.770475      2.885320      3.377674
  H      -6.943201      5.062674     -0.553828
  H      -5.382759      6.883861     -1.276168
  H      -3.833449      7.919649      0.374353
  H      -3.775543      7.138619      2.714635
  H      -1.548046     -1.582300      5.003379
  H      -1.347675     -1.639986      3.242028
  H      -3.930794     -1.073916      4.808768
  H      -3.537303     -2.486629      3.780936
  H      -7.960495      1.278487      0.247542
  H      -4.671732      3.140848     -2.394845
  H      -2.189458      3.334213     -2.203804
  H      -0.994306      2.360028     -0.253302
  H      -2.264311      1.240697      1.574183
  H      -4.947768      0.000264      6.125206
  H      -3.960498     -1.093237      7.120090
  H      -5.587822     -0.313450      8.589504
  H      -4.220288      0.778793      8.984333
  H      -7.469514      5.848103      8.044024
  H     -10.597457      5.313827      4.752099
  H     -11.474342      3.369375      3.442482
  H     -10.567442      1.086029      3.849393
  H      -8.802771      0.712608      5.538624
  N      -2.117844      2.997848      3.577911
  N      -1.952960      4.064821      2.871542
  H      -2.324580      4.954191      3.241812
  H      -1.848190      3.971091      1.856406
99
Coordinates from ORCA-job orca E -6706.992556862465
  N      -2.453905      3.467834      6.151557
  Mo     -2.526696      1.838703      4.918393
  N      -3.015661      0.693751      6.533730
  C      -1.876624      0.380147      7.398125
  C      -0.777302      1.428082      7.291157
  N      -0.531822      1.821972      5.866703
  C      -0.036028      3.224597      5.772851
  C      -1.175680      4.180835      6.177575
  C       0.385802      0.862936      5.176409
  C      -0.176446      0.602066      3.778950
  N      -1.588336      0.300379      3.938434
  H      -1.180572      5.054642      5.505899
  H      -0.994778      4.569680      7.194417
  H       0.266928      3.384365      4.730954
  H       0.852991      3.349474      6.413442
  H       0.373898     -0.219358      3.289811
  H      -0.064465      1.508665      3.159916
  H       0.389573     -0.072373      5.753006
  H       1.410875      1.264343      5.167554
  H      -2.163739      0.315086      8.463687
  H      -1.483297     -0.624247      7.133151
  H      -1.082552      2.330973      7.829775
  H       0.161610      1.064141      7.738317
  C      -3.293748      3.764777      7.290561
  C      -3.937799      5.153055      7.147884
  O      -4.855501      5.131395      6.030128
  C      -4.383799      5.460237      4.825510
  O      -3.306428      6.010787      4.615543
  C      -5.346451      5.055332      3.734173
  N      -6.207978      4.099977      4.056481
  C      -7.041212      3.661334      3.083216
  N      -7.074674      4.061124      1.826283
  C      -6.193064      5.036677      1.470425
  C      -6.183293      5.481011      0.124570
  C      -5.318937      6.480349     -0.263325
  C      -4.447830      7.080367      0.678377
  C      -4.425600      6.664388      1.993413
  C      -5.282741      5.615329      2.421606
  C      -1.878667     -1.115159      4.044414
  C      -3.361740     -1.416105      3.929751
  O      -3.947739     -0.781170      2.739191
  C      -4.411277      0.442381      2.853439
  O      -4.362064      1.148609      3.873749
  C      -5.032370      0.949816      1.579267
  N      -6.338200      0.807153      1.457927
  C      -6.883469      1.318714      0.314557
  N      -6.253757      1.937649     -0.662899
  C      -4.904208      2.090224     -0.529751
  C      -4.167205      2.764845     -1.534032
  C      -2.800843      2.902606     -1.407362
  C      -2.112657      2.369143     -0.287438
  C      -2.800903      1.713310      0.712465
  C      -4.208389      1.579268      0.610695
  C      -4.218475     -0.016875      6.935328
  C      -4.927841      0.490096      8.195274
  O      -5.709910      1.674427      7.911640
  C      -6.947176      1.450910      7.409286
  O      -7.416780      0.340232      7.235196
  C      -7.651223      2.747176      7.094884
  N      -7.228431      3.817237      7.752661
  C      -7.838975      4.994538      7.470007
  N      -8.796555      5.206646      6.589045
  C      -9.245384      4.116216      5.904336
  C     -10.266379      4.295888      4.938357
  C     -10.745952      3.214766      4.231633
  C     -10.221289      1.920180      4.459876
  C      -9.221201      1.711481      5.387714
  C      -8.707060      2.804136      6.135074
  H      -2.737707      3.768428      8.252719
  H      -4.104243      3.033123      7.363224
  H      -3.195796      5.950003      7.007658
  H      -4.561337      5.361193      8.025880
  H      -7.744027      2.877268      3.375627
  H      -6.874813      5.006998     -0.572567
  H      -5.311851      6.825581     -1.298387
  H      -3.788860      7.889347      0.359066
  H      -3.757741      7.138106      2.709376
  H      -1.542992     -1.587382      4.993630
  H      -1.343658     -1.640399      3.231664
  H      -3.925005     -1.071051      4.798169
  H      -3.533146     -2.486738      3.774773
  H      -7.964619      1.195654      0.216367
  H      -4.708716      3.158079     -2.395019
  H      -2.234276      3.419041     -2.183801
  H      -1.027108      2.468334     -0.229563
  H      -2.279163      1.305234      1.583078
  H      -4.955027      0.012682      6.119925
  H      -3.973165     -1.083323      7.117698
  H      -5.589043     -0.292156      8.590489
  H      -4.219605      0.801849      8.973271
  H      -7.484159      5.860772      8.036477
  H     -10.649030      5.305199      4.783317
  H     -11.532998      3.353566      3.488862
  H     -10.610886      1.075279      3.890054
  H      -8.824727      0.713767      5.559264
  N      -2.098480      2.995880      3.572511
  N      -1.921986      4.066571      2.874681
  H      -2.279694      4.958847      3.253395
  H      -1.819457      3.980381      1.858580
99
Coordinates from ORCA-job orca E -6706.992633658160
  N      -2.449520      3.470256      6.161915
  Mo     -2.529144      1.842572      4.927455
  N      -3.014096      0.695679      6.542429
  C      -1.872011      0.380086      7.402594
  C      -0.771743      1.427516      7.293318
  N      -0.530683      1.822978      5.868519
  C      -0.033758      3.225243      5.774283
  C      -1.170908      4.182056      6.185271
  C       0.383457      0.864149      5.173510
  C      -0.184191      0.605774      3.777578
  N      -1.595505      0.305186      3.942632
  H      -1.176568      5.057620      5.515872
  H      -0.986214      4.568508      7.202330
  H       0.264208      3.386141      4.731095
  H       0.858379      3.348465      6.410849
  H       0.363594     -0.215471      3.285221
  H      -0.073537      1.513035      3.159202
  H       0.388271     -0.072207      5.748556
  H       1.409130      1.264099      5.161929
  H      -2.155901      0.313758      8.468936
  H      -1.480062     -0.624207      7.135179
  H      -1.074258      2.329882      7.834325
  H       0.168410      1.062169      7.736741
  C      -3.288164      3.767508      7.301400
  C      -3.931019      5.156020      7.158624
  O      -4.847197      5.133800      6.039212
  C      -4.373756      5.460831      4.834571
  O      -3.295521      6.009653      4.624845
  C      -5.338144      5.059589      3.743158
  N      -6.195896      4.099604      4.061576
  C      -7.031018      3.665387      3.087874
  N      -7.071306      4.075369      1.834434
  C      -6.194339      5.056688      1.482891
  C      -6.193502      5.513759      0.141222
  C      -5.334013      6.518948     -0.242191
  C      -4.458653      7.111980      0.699923
  C      -4.427985      6.683984      2.010939
  C      -5.280628      5.629407      2.434489
  C      -1.886687     -1.110313      4.048702
  C      -3.370802     -1.409461      3.944410
  O      -3.963928     -0.775777      2.756745
  C      -4.424616      0.448912      2.870573
  O      -4.369173      1.157452      3.888935
  C      -5.052117      0.953428      1.598367
  N      -6.359717      0.817922      1.487775
  C      -6.910327      1.323401      0.344419
  N      -6.284075      1.929932     -0.642923
  C      -4.932666      2.074759     -0.521351
  C      -4.199142      2.735024     -1.537728
  C      -2.831029      2.865009     -1.422956
  C      -2.137741      2.337127     -0.303569
  C      -2.822369      1.694845      0.707487
  C      -4.231548      1.569241      0.618349
  C      -4.215276     -0.017182      6.944932
  C      -4.925287      0.488884      8.205068
  O      -5.709812      1.671364      7.920639
  C      -6.942705      1.445107      7.408773
  O      -7.406154      0.333255      7.225717
  C      -7.644449      2.739808      7.082763
  N      -7.233567      3.811159      7.745908
  C      -7.840800      4.987397      7.451866
  N      -8.784075      5.197233      6.555083
  C      -9.219984      4.105492      5.864084
  C     -10.224446      4.283024      4.880530
  C     -10.689666      3.200845      4.165933
  C     -10.166970      1.907206      4.403947
  C      -9.183450      1.700442      5.349713
  C      -8.684043      2.794345      6.105217
  H      -2.731628      3.770171      8.263335
  H      -4.099599      3.036897      7.373976
  H      -3.189007      5.953003      7.018651
  H      -4.555650      5.364452      8.035758
  H      -7.730050      2.876739      3.376710
  H      -6.888305      5.045051     -0.556236
  H      -5.333879      6.873955     -1.273992
  H      -3.803313      7.925303      0.384317
  H      -3.757219      7.152384      2.727624
  H      -1.544806     -1.583843      4.995074
  H      -1.357249     -1.635346      3.232139
  H      -3.927797     -1.062465      4.816231
  H      -3.544336     -2.480201      3.791799
  H      -7.992959      1.206383      0.255548
  H      -4.744785      3.123886     -2.398055
  H      -2.267247      3.370514     -2.208642
  H      -1.051078      2.429476     -0.255103
  H      -2.295980      1.290405      1.576937
  H      -4.952428      0.011027      6.130014
  H      -3.968539     -1.083426      7.126605
  H      -5.584438     -0.294616      8.601145
  H      -4.217485      0.803088      8.982419
  H      -7.496262      5.854665      8.023005
  H     -10.606081      5.291551      4.718142
  H     -11.463699      3.338058      3.409335
  H     -10.545017      1.061462      3.827625
  H      -8.788582      0.703443      5.528743
  N      -2.108107      3.001587      3.580947
  N      -1.936536      4.072370      2.882349
  H      -2.297983      4.963111      3.260552
  H      -1.834253      3.986521      1.866301
99
Coordinates from ORCA-job orca E -6706.992653927792
  N      -2.445315      3.470382      6.174072
  Mo     -2.527757      1.845101      4.935532
  N      -3.010544      0.693926      6.548132
  C      -1.867473      0.375024      7.405867
  C      -0.766542      1.422026      7.298085
  N      -0.527697      1.821941      5.874231
  C      -0.030754      3.224401      5.783179
  C      -1.165746      4.179729      6.202905
  C       0.384958      0.865209      5.174523
  C      -0.185184      0.610976      3.778713
  N      -1.596328      0.310755      3.945804
  H      -1.169212      5.061739      5.541565
  H      -0.979987      4.557041      7.223492
  H       0.262257      3.388869      4.739216
  H       0.864328      3.345388      6.415975
  H       0.361194     -0.209372      3.283304
  H      -0.075031      1.519585      3.162293
  H       0.390558     -0.072969      5.746609
  H       1.410794      1.264769      5.162375
  H      -2.150318      0.306124      8.472306
  H      -1.476560     -0.628835      7.135410
  H      -1.067296      2.322757      7.842746
  H       0.174065      1.054469      7.738764
  C      -3.286815      3.765531      7.311861
  C      -3.926806      5.155521      7.171728
  O      -4.838600      5.137410      6.048598
  C      -4.359419      5.462501      4.845567
  O      -3.279753      6.009822      4.639401
  C      -5.320605      5.062184      3.750944
  N      -6.175257      4.097895      4.064432
  C      -7.006031      3.663085      3.087274
  N      -7.046333      4.077881      1.835448
  C      -6.173785      5.065143      1.489537
  C      -6.174709      5.529399      0.150339
  C      -5.319749      6.540577     -0.227385
  C      -4.446835      7.132081      0.718017
  C      -4.414663      6.697331      2.026784
  C      -5.263358      5.637342      2.444603
  C      -1.887866     -1.105071      4.047800
  C      -3.372551     -1.402969      3.953636
  O      -3.974365     -0.771412      2.769233
  C      -4.434845      0.453568      2.882238
  O      -4.368589      1.168343      3.895507
  C      -5.076334      0.949940      1.613700
  N      -6.383467      0.802607      1.511978
  C      -6.945455      1.298280      0.369970
  N      -6.330535      1.903996     -0.625043
  C      -4.979701      2.060265     -0.513052
  C      -4.257975      2.719666     -1.538478
  C      -2.890395      2.861791     -1.433147
  C      -2.185875      2.346582     -0.314886
  C      -2.858775      1.705155      0.704478
  C      -4.267457      1.567812      0.625516
  C      -4.212747     -0.015819      6.952937
  C      -4.922684      0.497928      8.210149
  O      -5.707275      1.678196      7.916436
  C      -6.936116      1.447642      7.396793
  O      -7.401992      0.334472      7.228244
  C      -7.636746      2.739753      7.058763
  N      -7.227507      3.816253      7.714523
  C      -7.831803      4.990683      7.407272
  N      -8.770472      5.193796      6.504106
  C      -9.203808      4.096800      5.819832
  C     -10.202106      4.267211      4.828735
  C     -10.663153      3.179855      4.119340
  C     -10.142653      1.887815      4.370495
  C      -9.165793      1.687712      5.324545
  C      -8.670695      2.787150      6.074860
  H      -2.733170      3.763575      8.275506
  H      -4.100215      3.036603      7.379152
  H      -3.183291      5.951991      7.036998
  H      -4.554539      5.361980      8.047100
  H      -7.701794      2.870021      3.371692
  H      -6.868162      5.061904     -0.549386
  H      -5.321194      6.901385     -1.257177
  H      -3.794716      7.949686      0.406856
  H      -3.745690      7.164254      2.746132
  H      -1.539169     -1.582646      4.989655
  H      -1.364471     -1.627049      3.225376
  H      -3.922846     -1.053970      4.828816
  H      -3.547834     -2.473870      3.804166
  H      -8.027844      1.172747      0.289139
  H      -4.812175      3.098214     -2.397948
  H      -2.335822      3.366985     -2.225529
  H      -1.099642      2.447597     -0.274236
  H      -2.322943      1.309014      1.572013
  H      -4.949816      0.010661      6.137905
  H      -3.968505     -1.081969      7.138473
  H      -5.581506     -0.282897      8.611955
  H      -4.214939      0.818334      8.984980
  H      -7.489180      5.862336      7.972795
  H     -10.582112      5.274609      4.655966
  H     -11.432042      3.311714      3.356574
  H     -10.517102      1.037968      3.797907
  H      -8.772784      0.691900      5.513797
  N      -2.105754      3.007568      3.591824
  N      -1.934149      4.078742      2.894324
  H      -2.298708      4.968660      3.270961
  H      -1.826555      3.994515      1.878859
99
Coordinates from ORCA-job orca E -6706.992710975062
  N      -2.431489      3.473141      6.190681
  Mo     -2.524338      1.848800      4.949018
  N      -3.007941      0.695263      6.559892
  C      -1.863375      0.368072      7.412999
  C      -0.758347      1.411123      7.306020
  N      -0.521889      1.815197      5.883079
  C      -0.020072      3.216214      5.794636
  C      -1.147278      4.172717      6.229085
  C       0.385208      0.857919      5.176921
  C      -0.189765      0.610866      3.781604
  N      -1.601540      0.315647      3.952569
  H      -1.143192      5.065848      5.582699
  H      -0.958483      4.532461      7.255552
  H       0.264370      3.384149      4.748851
  H       0.880883      3.331626      6.420199
  H       0.351685     -0.210363      3.282339
  H      -0.077838      1.520521      3.167281
  H       0.388939     -0.082605      5.745127
  H       1.412480      1.253695      5.163550
  H      -2.143971      0.296600      8.479888
  H      -1.477465     -0.636399      7.137937
  H      -1.054262      2.310810      7.855065
  H       0.182020      1.038334      7.742830
  C      -3.276453      3.771095      7.324981
  C      -3.903653      5.167575      7.188107
  O      -4.809757      5.161119      6.060420
  C      -4.322407      5.483973      4.860084
  O      -3.241479      6.030621      4.659139
  C      -5.276939      5.081252      3.760572
  N      -6.122883      4.107185      4.066872
  C      -6.942699      3.665399      3.083608
  N      -6.980995      4.083216      1.832735
  C      -6.119982      5.083518      1.495467
  C      -6.122289      5.555321      0.158941
  C      -5.279453      6.579909     -0.209954
  C      -4.416973      7.176730      0.741695
  C      -4.383665      6.734887      2.048091
  C      -5.220802      5.662462      2.456992
  C      -1.896580     -1.099882      4.049685
  C      -3.382650     -1.392334      3.977337
  O      -4.001052     -0.766804      2.798157
  C      -4.460501      0.459143      2.906960
  O      -4.367352      1.190708      3.905439
  C      -5.133304      0.935171      1.646768
  N      -6.437194      0.752575      1.559859
  C      -7.023765      1.227879      0.421772
  N      -6.435298      1.840685     -0.584833
  C      -5.087904      2.031742     -0.488755
  C      -4.393401      2.699103     -1.527803
  C      -3.029077      2.877657     -1.437509
  C      -2.300668      2.391233     -0.321852
  C      -2.946569      1.742347      0.709932
  C      -4.351960      1.568484      0.646924
  C      -4.212437     -0.008090      6.969778
  C      -4.920302      0.515616      8.224390
  O      -5.711179      1.689120      7.920105
  C      -6.933582      1.446731      7.390923
  O      -7.390318      0.329367      7.225167
  C      -7.635516      2.731349      7.029008
  N      -7.248705      3.815091      7.686340
  C      -7.853111      4.983239      7.355847
  N      -8.771315      5.173349      6.429044
  C      -9.180404      4.068716      5.742088
  C     -10.153573      4.225277      4.724077
  C     -10.586592      3.130185      4.008859
  C     -10.062752      1.843817      4.281237
  C      -9.111019      1.656879      5.262964
  C      -8.644936      2.764644      6.019513
  H      -2.727826      3.759287      8.291530
  H      -4.097442      3.050128      7.384240
  H      -3.152786      5.958422      7.060814
  H      -4.534299      5.375493      8.061044
  H      -7.630192      2.862893      3.361528
  H      -6.809054      5.083978     -0.544927
  H      -5.282459      6.947102     -1.237487
  H      -3.774069      8.004156      0.437432
  H      -3.722525      7.205291      2.772411
  H      -1.534391     -1.584627      4.982844
  H      -1.387583     -1.618275      3.215946
  H      -3.918707     -1.036132      4.858276
  H      -3.563645     -2.463609      3.837015
  H      -8.103961      1.076545      0.354673
  H      -4.965436      3.054590     -2.385415
  H      -2.495543      3.389609     -2.239872
  H      -1.216845      2.519565     -0.293892
  H      -2.390755      1.365503      1.573535
  H      -4.950689      0.016314      6.155738
  H      -3.972095     -1.074120      7.160127
  H      -5.574410     -0.263206      8.637580
  H      -4.211044      0.847942      8.992751
  H      -7.529255      5.861381      7.922307
  H     -10.536534      5.228580      4.534768
  H     -11.335542      3.251594      3.224803
  H     -10.414351      0.987855      3.703247
  H      -8.715562      0.665261      5.468566
  N      -2.097791      3.014078      3.608121
  N      -1.918007      4.087856      2.917265
  H      -2.271258      4.979717      3.300287
  H      -1.811552      4.011236      1.901122
99
Coordinates from ORCA-job orca E -6706.992746926814
  N      -2.429158      3.473618      6.200064
  Mo     -2.520881      1.850336      4.954256
  N      -3.008075      0.694512      6.562620
  C      -1.864214      0.362989      7.415463
  C      -0.758799      1.406198      7.314107
  N      -0.519711      1.814571      5.893000
  C      -0.018551      3.216175      5.808612
  C      -1.144080      4.169624      6.251741
  C       0.388813      0.859883      5.185570
  C      -0.184162      0.616005      3.788790
  N      -1.596141      0.320340      3.957637
  H      -1.134352      5.072867      5.618767
  H      -0.957841      4.514450      7.284386
  H       0.261578      3.388128      4.762441
  H       0.884693      3.330012      6.431087
  H       0.357894     -0.204344      3.288753
  H      -0.071418      1.526594      3.176101
  H       0.392296     -0.082259      5.751124
  H       1.416023      1.256032      5.174674
  H      -2.146542      0.287418      8.481599
  H      -1.478518     -0.640402      7.136738
  H      -1.056139      2.303964      7.865519
  H       0.180644      1.032023      7.751828
  C      -3.279576      3.765738      7.331662
  C      -3.902863      5.165022      7.205035
  O      -4.802342      5.170904      6.072143
  C      -4.305438      5.497899      4.877137
  O      -3.221312      6.041768      4.685887
  C      -5.246627      5.090501      3.768031
  N      -6.078871      4.100624      4.060046
  C      -6.879537      3.650015      3.064847
  N      -6.911832      4.074523      1.816049
  C      -6.067944      5.094804      1.495253
  C      -6.068711      5.579965      0.163573
  C      -5.242768      6.624268     -0.188180
  C      -4.397654      7.226462      0.775654
  C      -4.366054      6.771957      2.077767
  C      -5.188149      5.681860      2.469430
  C      -1.890182     -1.095878      4.049837
  C      -3.375944     -1.388343      3.992539
  O      -4.008146     -0.772218      2.815692
  C      -4.470752      0.453534      2.917083
  O      -4.358363      1.202704      3.900077
  C      -5.172384      0.905676      1.663684
  N      -6.471668      0.686542      1.590542
  C      -7.081687      1.138432      0.455431
  N      -6.519423      1.756247     -0.563103
  C      -5.176903      1.984053     -0.481707
  C      -4.509686      2.658809     -1.533887
  C      -3.150417      2.877508     -1.456377
  C      -2.399857      2.424329     -0.341589
  C      -3.018682      1.768484      0.702041
  C      -4.419024      1.554179      0.652744
  C      -4.215223     -0.002576      6.975940
  C      -4.919718      0.528000      8.230085
  O      -5.712856      1.699190      7.922031
  C      -6.931468      1.452897      7.385657
  O      -7.382343      0.334047      7.213523
  C      -7.630807      2.735097      7.010792
  N      -7.260422      3.820172      7.675201
  C      -7.864456      4.985624      7.334314
  N      -8.767806      5.171522      6.392197
  C      -9.159797      4.065244      5.697930
  C     -10.115315      4.217259      4.662661
  C     -10.527925      3.120629      3.937786
  C     -10.001405      1.837045      4.217899
  C      -9.067796      1.654266      5.217609
  C      -8.622498      2.763835      5.983850
  H      -2.736085      3.743358      8.301057
  H      -4.103321      3.047228      7.379857
  H      -3.149673      5.955560      7.089776
  H      -4.538366      5.365980      8.076098
  H      -7.554240      2.832519      3.330052
  H      -6.743204      5.104565     -0.549509
  H      -5.245276      7.002353     -1.211762
  H      -3.767135      8.067946      0.484322
  H      -3.717374      7.245146      2.811704
  H      -1.517651     -1.585470      4.976424
  H      -1.389462     -1.609779      3.208290
  H      -3.902487     -1.026116      4.876454
  H      -3.557872     -2.460602      3.861743
  H      -8.158785      0.961515      0.402129
  H      -5.098339      2.988235     -2.390743
  H      -2.638017      3.396335     -2.267906
  H      -1.319877      2.583658     -0.324067
  H      -2.444294      1.414879      1.563490
  H      -4.954969      0.022161      6.163144
  H      -3.979462     -1.069115      7.168543
  H      -5.571476     -0.248540      8.651133
  H      -4.207694      0.866143      8.993338
  H      -7.553703      5.865157      7.905960
  H     -10.500756      5.218406      4.467262
  H     -11.262550      3.238744      3.139823
  H     -10.336293      0.980006      3.631732
  H      -8.670422      0.664626      5.429245
  N      -2.086291      3.017381      3.616553
  N      -1.893991      4.090786      2.929183
  H      -2.227828      4.988154      3.317460
  H      -1.788545      4.018732      1.912890
99
Coordinates from ORCA-job orca E -6706.992748438993
  N      -2.418749      3.472996      6.198528
  Mo     -2.508721      1.847481      4.953776
  N      -3.008331      0.698485      6.562626
  C      -1.864080      0.364632      7.416598
  C      -0.754970      1.405900      7.315644
  N      -0.510327      1.812556      5.894537
  C      -0.008172      3.214008      5.809364
  C      -1.131994      4.166094      6.255839
  C       0.399268      0.856869      5.189596
  C      -0.170672      0.612230      3.792041
  N      -1.583028      0.316818      3.958716
  H      -1.119757      5.073738      5.630184
  H      -0.946724      4.502592      7.290952
  H       0.271186      3.385391      4.762717
  H       0.895905      3.328521      6.430837
  H       0.372037     -0.208936      3.294184
  H      -0.057014      1.521833      3.178373
  H       0.401940     -0.084653      5.755943
  H       1.426003      1.253906      5.179563
  H      -2.146720      0.289998      8.482760
  H      -1.481247     -0.639731      7.137524
  H      -1.053571      2.304672      7.864854
  H       0.182621      1.031228      7.756722
  C      -3.269559      3.766883      7.329575
  C      -3.882936      5.171885      7.209317
  O      -4.781494      5.192027      6.076629
  C      -4.279252      5.515888      4.883332
  O      -3.196583      6.063638      4.695552
  C      -5.218318      5.115200      3.770571
  N      -6.054151      4.126946      4.057206
  C      -6.845699      3.675013      3.054984
  N      -6.862958      4.094486      1.804175
  C      -6.017181      5.115524      1.490172
  C      -6.003423      5.598456      0.157907
  C      -5.175341      6.643819     -0.186136
  C      -4.341807      7.248811      0.785926
  C      -4.323948      6.796009      2.088913
  C      -5.149146      5.705612      2.472444
  C      -1.874850     -1.099698      4.051281
  C      -3.360032     -1.395409      4.002247
  O      -4.001623     -0.787359      2.826470
  C      -4.468059      0.437206      2.923061
  O      -4.339880      1.199991      3.893052
  C      -5.191447      0.872578      1.675986
  N      -6.485178      0.619746      1.610373
  C      -7.113533      1.057315      0.479871
  N      -6.573616      1.687798     -0.542813
  C      -5.236983      1.950471     -0.469376
  C      -4.592752      2.640501     -1.525768
  C      -3.239508      2.896335     -1.454704
  C      -2.471962      2.466313     -0.342511
  C      -3.068151      1.796229      0.705263
  C      -4.462171      1.543686      0.662090
  C      -4.217374      0.003525      6.975382
  C      -4.927748      0.538832      8.224142
  O      -5.725583      1.704949      7.908470
  C      -6.942036      1.451161      7.370656
  O      -7.388149      0.330069      7.201932
  C      -7.649327      2.729253      6.997428
  N      -7.292558      3.813957      7.669937
  C      -7.906365      4.975495      7.332952
  N      -8.807110      5.158181      6.387729
  C      -9.184840      4.052412      5.684825
  C     -10.136546      4.201078      4.645695
  C     -10.534384      3.104665      3.912116
  C      -9.996298      1.824760      4.186944
  C      -9.065957      1.645253      5.190329
  C      -8.636104      2.754541      5.965679
  H      -2.727839      3.736924      8.299913
  H      -4.098072      3.053780      7.373364
  H      -3.122738      5.956612      7.099667
  H      -4.516960      5.372831      8.081434
  H      -7.525114      2.859963      3.316043
  H      -6.670161      5.121693     -0.561421
  H      -5.167065      7.020631     -1.210139
  H      -3.709323      8.090723      0.500162
  H      -3.682961      7.270582      2.828802
  H      -1.496564     -1.589232      4.975650
  H      -1.378627     -1.612275      3.206211
  H      -3.881927     -1.029672      4.887614
  H      -3.540912     -2.468758      3.878477
  H      -8.186254      0.853261      0.433233
  H      -5.193973      2.951841     -2.380618
  H      -2.744724      3.427857     -2.269044
  H      -1.396601      2.654994     -0.330342
  H      -2.480809      1.460342      1.564953
  H      -4.953964      0.023496      6.159553
  H      -3.981271     -1.061503      7.174512
  H      -5.578058     -0.237500      8.647958
  H      -4.218832      0.883784      8.987292
  H      -7.606940      5.854726      7.911032
  H     -10.530638      5.199705      4.454301
  H     -11.265972      3.220260      3.110927
  H     -10.318950      0.968027      3.593335
  H      -8.659239      0.658375      5.397443
  N      -2.085720      3.017523      3.614702
  N      -1.907673      4.099775      2.937975
  H      -2.244511      4.991085      3.338577
  H      -1.805285      4.040790      1.920616
99
Coordinates from ORCA-job orca E -6706.992798600833
  N      -2.424014      3.471439      6.199230
  Mo     -2.513385      1.846151      4.955626
  N      -3.005198      0.695884      6.566605
  C      -1.861788      0.365172      7.420970
  C      -0.756014      1.407621      7.319144
  N      -0.513392      1.812599      5.897554
  C      -0.012160      3.213965      5.811442
  C      -1.138570      4.167594      6.250139
  C       0.396350      0.856299      5.193941
  C      -0.173527      0.610318      3.796597
  N      -1.585889      0.314604      3.962055
  H      -1.129632      5.068295      5.614451
  H      -0.953545      4.515619      7.281518
  H       0.270786      3.383638      4.765514
  H       0.889598      3.329464      6.435915
  H       0.369845     -0.210543      3.298838
  H      -0.059714      1.520094      3.183044
  H       0.399096     -0.084567      5.761485
  H       1.423250      1.252996      5.183533
  H      -2.144529      0.290375      8.487027
  H      -1.476488     -0.638491      7.142589
  H      -1.055254      2.306680      7.867335
  H       0.182192      1.034514      7.760244
  C      -3.273803      3.766876      7.330589
  C      -3.887794      5.170664      7.206557
  O      -4.787701      5.186975      6.074167
  C      -4.287380      5.510476      4.879698
  O      -3.201283      6.050452      4.689216
  C      -5.231394      5.114483      3.769212
  N      -6.071614      4.130593      4.058091
  C      -6.872645      3.686857      3.059635
  N      -6.895906      4.111046      1.810589
  C      -6.044492      5.126586      1.493723
  C      -6.035501      5.612581      0.162533
  C      -5.202215      6.652825     -0.184201
  C      -4.359199      7.250380      0.784192
  C      -4.336777      6.794784      2.086166
  C      -5.165960      5.708083      2.471977
  C      -1.879291     -1.101758      4.052364
  C      -3.364237     -1.397762      3.993021
  O      -3.999205     -0.782327      2.817797
  C      -4.464601      0.442117      2.920321
  O      -4.346083      1.196075      3.898852
  C      -5.180120      0.889191      1.673097
  N      -6.477405      0.655089      1.609447
  C      -7.100673      1.096797      0.477594
  N      -6.552803      1.718683     -0.546209
  C      -5.212613      1.963675     -0.474272
  C      -4.560274      2.641884     -1.533293
  C      -3.203078      2.877105     -1.465487
  C      -2.440040      2.438707     -0.353410
  C      -3.044356      1.780117      0.697086
  C      -4.441896      1.546724      0.656384
  C      -4.212662     -0.001012      6.979514
  C      -4.923856      0.534653      8.227393
  O      -5.718851      1.702095      7.910019
  C      -6.935783      1.449983      7.372375
  O      -7.385006      0.329494      7.207818
  C      -7.640566      2.728839      6.996227
  N      -7.276090      3.815867      7.660840
  C      -7.888183      4.977697      7.321728
  N      -8.793890      5.158613      6.380976
  C      -9.179180      4.050573      5.685771
  C     -10.137300      4.197282      4.652245
  C     -10.544273      3.098467      3.927398
  C     -10.008875      1.818101      4.205432
  C      -9.072173      1.640575      5.203199
  C      -8.633114      2.752326      5.969913
  H      -2.731173      3.739856      8.300459
  H      -4.101412      3.052701      7.377396
  H      -3.128547      5.955741      7.093569
  H      -4.521107      5.374110      8.078539
  H      -7.555679      2.875575      3.322821
  H      -6.709251      5.142309     -0.554421
  H      -5.197793      7.031951     -1.207389
  H      -3.723308      8.089051      0.496455
  H      -3.689472      7.264247      2.823594
  H      -1.507673     -1.591926      4.979124
  H      -1.376901     -1.614037      3.210797
  H      -3.891389     -1.038038      4.877632
  H      -3.543714     -2.470357      3.861261
  H      -8.175245      0.902916      0.430086
  H      -5.158416      2.960116     -2.387776
  H      -2.701748      3.398248     -2.282524
  H      -1.362249      2.612542     -0.342861
  H      -2.461161      1.439375      1.557592
  H      -4.949000      0.017515      6.163505
  H      -3.975308     -1.065758      7.179586
  H      -5.576056     -0.241271      8.649060
  H      -4.216114      0.878155      8.992280
  H      -7.583476      5.858490      7.894649
  H     -10.529344      5.196210      4.458362
  H     -11.280900      3.212447      3.130621
  H     -10.338496      0.959441      3.618505
  H      -8.667201      0.653468      5.412457
  N      -2.080891      3.013793      3.618077
  N      -1.893928      4.088984      2.932226
  H      -2.229448      4.984806      3.322500
  H      -1.786187      4.019396      1.916099
99
Coordinates from ORCA-job orca E -6706.992765814428
  N      -2.426009      3.473800      6.215205
  Mo     -2.519273      1.851796      4.966299
  N      -3.001373      0.696687      6.577003
  C      -1.855673      0.364184      7.426612
  C      -0.751154      1.406526      7.323566
  N      -0.515403      1.815906      5.902339
  C      -0.015508      3.217856      5.819227
  C      -1.140068      4.168944      6.268561
  C       0.391833      0.862589      5.191645
  C      -0.184058      0.621569      3.795491
  N      -1.595626      0.324291      3.965916
  H      -1.131607      5.075126      5.640216
  H      -0.952130      4.509107      7.302337
  H       0.260617      3.392297      4.772373
  H       0.890011      3.330957      6.438454
  H       0.357526     -0.197019      3.292112
  H      -0.073318      1.533792      3.185053
  H       0.397023     -0.080374      5.755682
  H       1.418842      1.259012      5.178764
  H      -2.135026      0.286287      8.493327
  H      -1.470843     -0.638506      7.144154
  H      -1.047334      2.303831      7.876089
  H       0.188826      1.031586      7.759364
  C      -3.276565      3.763939      7.347121
  C      -3.888415      5.168690      7.229608
  O      -4.778291      5.189353      6.088625
  C      -4.267006      5.520031      4.900679
  O      -3.179280      6.061809      4.723808
  C      -5.192636      5.115672      3.777383
  N      -6.021888      4.118677      4.052873
  C      -6.804361      3.666447      3.043494
  N      -6.819090      4.094281      1.795682
  C      -5.979759      5.123950      1.492429
  C      -5.963857      5.615287      0.163254
  C      -5.143979      6.670317     -0.170160
  C      -4.322228      7.278153      0.809988
  C      -4.306960      6.818092      2.110559
  C      -5.121611      5.715668      2.482921
  C      -1.887844     -1.092288      4.054799
  C      -3.373393     -1.386511      4.014746
  O      -4.024177     -0.777695      2.843911
  C      -4.490025      0.446980      2.944219
  O      -4.354242      1.210165      3.912479
  C      -5.234556      0.881166      1.709501
  N      -6.526517      0.615857      1.663600
  C      -7.174093      1.036623      0.537321
  N      -6.653480      1.664511     -0.497006
  C      -5.318720      1.941548     -0.443340
  C      -4.695032      2.625357     -1.515910
  C      -3.342384      2.889909     -1.467761
  C      -2.555905      2.477637     -0.362112
  C      -3.132357      1.814981      0.701285
  C      -4.524796      1.550455      0.680418
  C      -4.207074     -0.000938      6.992907
  C      -4.919617      0.538890      8.238191
  O      -5.715900      1.703108      7.912472
  C      -6.923899      1.445443      7.357646
  O      -7.369252      0.323211      7.194195
  C      -7.627270      2.720901      6.967801
  N      -7.281006      3.809716      7.639059
  C      -7.889533      4.969090      7.285116
  N      -8.773868      5.145994      6.323512
  C      -9.138469      4.036212      5.619898
  C     -10.070353      4.179284      4.562107
  C     -10.453297      3.079164      3.826235
  C      -9.919219      1.801081      4.117057
  C      -9.008535      1.626976      5.139201
  C      -8.594817      2.740172      5.917865
  H      -2.736219      3.729223      8.318090
  H      -4.106116      3.051655      7.387566
  H      -3.129274      5.955158      7.127601
  H      -4.528822      5.366201      8.097674
  H      -7.478505      2.844514      3.296059
  H      -6.622290      5.137575     -0.563049
  H      -5.134629      7.053667     -1.191763
  H      -3.697656      8.128719      0.532648
  H      -3.677000      7.296226      2.857279
  H      -1.504244     -1.585680      4.975096
  H      -1.395918     -1.602095      3.205530
  H      -3.889102     -1.021601      4.904032
  H      -3.554955     -2.459729      3.891101
  H      -8.244312      0.816392      0.504001
  H      -5.310563      2.922999     -2.365406
  H      -2.862631      3.413342     -2.296186
  H      -1.482025      2.674346     -0.367338
  H      -2.530243      1.492728      1.555932
  H      -4.943764      0.013651      6.177107
  H      -3.968623     -1.064885      7.195912
  H      -5.570730     -0.236246      8.662923
  H      -4.213408      0.888121      9.001897
  H      -7.600774      5.851420      7.863714
  H     -10.461518      5.176522      4.358209
  H     -11.169218      3.190454      3.010411
  H     -10.228753      0.941519      3.520597
  H      -8.604094      0.641697      5.357690
  N      -2.083083      3.023670      3.633266
  N      -1.892744      4.101611      2.953063
  H      -2.230414      4.995841      3.344556
  H      -1.777803      4.036675      1.937689
99
Coordinates from ORCA-job orca E -6706.992832368615
  N      -2.419937      3.470767      6.211529
  Mo     -2.509704      1.847318      4.964743
  N      -3.001506      0.694438      6.573756
  C      -1.858327      0.361451      7.427596
  C      -0.752004      1.403470      7.328070
  N      -0.509353      1.811454      5.907378
  C      -0.007750      3.212780      5.824825
  C      -1.133964      4.165911      6.265980
  C       0.400110      0.856759      5.201509
  C      -0.170112      0.614495      3.803444
  N      -1.582227      0.318044      3.968973
  H      -1.123831      5.068961      5.633264
  H      -0.949553      4.510815      7.298825
  H       0.274717      3.385143      4.779300
  H       0.894282      3.326098      6.449137
  H       0.373132     -0.204906      3.303135
  H      -0.056490      1.525969      3.192337
  H       0.402522     -0.085580      5.766677
  H       1.427360      1.252746      5.192277
  H      -2.141471      0.284251      8.493383
  H      -1.473397     -0.641671      7.146831
  H      -1.050600      2.301483      7.878254
  H       0.185963      1.028735      7.768382
  C      -3.272017      3.763551      7.341708
  C      -3.885040      5.167673      7.220655
  O      -4.779605      5.187149      6.083362
  C      -4.271818      5.513419      4.892849
  O      -3.184247      6.053524      4.710235
  C      -5.206732      5.118803      3.774192
  N      -6.039158      4.124607      4.049558
  C      -6.829102      3.681192      3.041939
  N      -6.847648      4.114673      1.796124
  C      -6.004741      5.141560      1.493402
  C      -5.992640      5.639468      0.166712
  C      -5.168433      6.691628     -0.165509
  C      -4.338083      7.289755      0.813367
  C      -4.319103      6.823043      2.111510
  C      -5.138848      5.724045      2.482277
  C      -1.874604     -1.098479      4.057288
  C      -3.359475     -1.394045      4.010084
  O      -4.005862     -0.784144      2.837629
  C      -4.473505      0.439768      2.937810
  O      -4.341088      1.202830      3.907150
  C      -5.214555      0.873660      1.700959
  N      -6.507927      0.614933      1.656328
  C      -7.154857      1.039123      0.530941
  N      -6.632442      1.665200     -0.503515
  C      -5.296356      1.936219     -0.450942
  C      -4.671094      2.619277     -1.523031
  C      -3.317644      2.879874     -1.475049
  C      -2.531975      2.464194     -0.370135
  C      -3.109909      1.801977      0.692775
  C      -4.503008      1.541264      0.671984
  C      -4.209917     -0.000621      6.986299
  C      -4.924112      0.540730      8.229983
  O      -5.717862      1.706619      7.903683
  C      -6.929928      1.451508      7.356598
  O      -7.378696      0.330291      7.195539
  C      -7.630494      2.728145      6.965577
  N      -7.275172      3.818563      7.629466
  C      -7.884136      4.978129      7.276846
  N      -8.777756      5.153519      6.323574
  C      -9.152309      4.041909      5.628094
  C     -10.095584      4.182916      4.580197
  C     -10.489553      3.080646      3.853387
  C      -9.955313      1.802473      4.143490
  C      -9.033434      1.630397      5.155885
  C      -8.608397      2.745794      5.925251
  H      -2.732392      3.732285      8.313197
  H      -4.100596      3.050185      7.383594
  H      -3.126037      5.953740      7.113813
  H      -4.522591      5.367959      8.090272
  H      -7.506108      2.861577      3.294221
  H      -6.657507      5.169575     -0.558787
  H      -5.161914      7.079950     -1.185242
  H      -3.709734      8.137866      0.536968
  H      -3.682041      7.293142      2.857458
  H      -1.495433     -1.591253      4.979722
  H      -1.378325     -1.608511      3.210701
  H      -3.879425     -1.031273      4.897709
  H      -3.539413     -2.467210      3.884003
  H      -8.226406      0.825444      0.499420
  H      -5.286251      2.920303     -2.371679
  H      -2.836719      3.403544     -2.302648
  H      -1.457727      2.658737     -0.375105
  H      -2.508656      1.477775      1.547343
  H      -4.944558      0.015136      6.168681
  H      -3.973844     -1.064869      7.190481
  H      -5.577501     -0.233165      8.653493
  H      -4.218536      0.888267      8.995037
  H      -7.587453      5.861975      7.849238
  H     -10.486633      5.180264      4.376618
  H     -11.214456      3.190272      3.045347
  H     -10.273687      0.941190      3.554275
  H      -8.628845      0.645013      5.373854
  N      -2.075810      3.016760      3.628887
  N      -1.886214      4.093714      2.946497
  H      -2.218559      4.989673      3.339020
  H      -1.775023      4.027544      1.930846
99
Coordinates from ORCA-job orca E -6706.992857947626
  N      -2.417159      3.469400      6.214418
  Mo     -2.502391      1.844965      4.968081
  N      -2.998590      0.693174      6.576716
  C      -1.857554      0.360701      7.433715
  C      -0.751503      1.403169      7.337029
  N      -0.504535      1.810579      5.916903
  C      -0.003261      3.211963      5.835847
  C      -1.131262      4.164661      6.272741
  C       0.407453      0.856116      5.214092
  C      -0.158117      0.613875      3.814188
  N      -1.570523      0.316337      3.974995
  H      -1.119669      5.067202      5.639489
  H      -0.950395      4.510313      7.305917
  H       0.283111      3.384329      4.791345
  H       0.896451      3.325722      6.463447
  H       0.387290     -0.204943      3.315235
  H      -0.043205      1.525639      3.203816
  H       0.408471     -0.086176      5.779342
  H       1.434551      1.252542      5.207927
  H      -2.143598      0.283277      8.498729
  H      -1.471535     -0.642213      7.153687
  H      -1.052503      2.301388      7.885645
  H       0.185219      1.029195      7.780615
  C      -3.272503      3.763369      7.341825
  C      -3.882134      5.169158      7.221154
  O      -4.774513      5.194099      6.082055
  C      -4.263065      5.521787      4.893646
  O      -3.173374      6.058769      4.714259
  C      -5.195175      5.131364      3.771503
  N      -6.030891      4.138911      4.042416
  C      -6.818213      3.698995      3.031002
  N      -6.830203      4.133575      1.785550
  C      -5.984287      5.159560      1.487798
  C      -5.965909      5.660086      0.162250
  C      -5.138752      6.711761     -0.164456
  C      -4.311389      7.306705      0.818859
  C      -4.298471      6.837316      2.116134
  C      -5.121522      5.738979      2.481053
  C      -1.861567     -1.100601      4.059958
  C      -3.345573     -1.399039      4.012587
  O      -3.995973     -0.790724      2.841476
  C      -4.467692      0.431520      2.942162
  O      -4.328722      1.199718      3.906538
  C      -5.225819      0.857184      1.712922
  N      -6.516742      0.584226      1.682860
  C      -7.181003      1.000821      0.564708
  N      -6.676886      1.630992     -0.476214
  C      -5.343433      1.917175     -0.438534
  C      -4.737666      2.605781     -1.518104
  C      -3.386943      2.882613     -1.484605
  C      -2.584966      2.478590     -0.387303
  C      -3.143830      1.811585      0.682742
  C      -4.533580      1.533456      0.676507
  C      -4.208186     -0.001141      6.987476
  C      -4.926753      0.541668      8.227990
  O      -5.721019      1.706172      7.897636
  C      -6.930077      1.448634      7.344888
  O      -7.374975      0.326556      7.179402
  C      -7.633485      2.723957      6.954788
  N      -7.289461      3.812346      7.627841
  C      -7.903438      4.970261      7.278267
  N      -8.792698      5.145747      6.320994
  C      -9.155311      4.036265      5.615819
  C     -10.093012      4.177773      4.563039
  C     -10.473837      3.077869      3.825662
  C      -9.931463      1.801755      4.109640
  C      -9.015199      1.629160      5.127041
  C      -8.604071      2.742019      5.907586
  H      -2.736248      3.729816      8.315139
  H      -4.102598      3.051615      7.380286
  H      -3.121003      5.953626      7.117708
  H      -4.521206      5.369511      8.089637
  H      -7.498679      2.881287      3.279975
  H      -6.629022      5.193578     -0.566971
  H      -5.127590      7.102193     -1.183343
  H      -3.680600      8.154335      0.546567
  H      -3.663355      7.304554      2.865556
  H      -1.481731     -1.595153      4.981249
  H      -1.364478     -1.608005      3.212237
  H      -3.865485     -1.038149      4.900833
  H      -3.523138     -2.472601      3.886340
  H      -8.250551      0.775800      0.545559
  H      -5.365288      2.898296     -2.360588
  H      -2.920793      3.410787     -2.317740
  H      -1.513433      2.686909     -0.403484
  H      -2.529934      1.496507      1.531699
  H      -4.940691      0.012502      6.167914
  H      -3.972118     -1.064794      7.194542
  H      -5.580849     -0.232271      8.650361
  H      -4.224023      0.890918      8.994876
  H      -7.616095      5.852392      7.858019
  H     -10.490033      5.173667      4.363935
  H     -11.194204      3.187935      3.013631
  H     -10.238976      0.942490      3.511760
  H      -8.604143      0.645336      5.339994
  N      -2.065856      3.014488      3.633002
  N      -1.876286      4.091843      2.951219
  H      -2.211006      4.987679      3.342280
  H      -1.758264      4.026224      1.936439
99
Coordinates from ORCA-job orca E -6706.992914767918
  N      -2.402758      3.464499      6.224876
  Mo     -2.483412      1.837803      4.981105
  N      -2.989051      0.690489      6.590258
  C      -1.853216      0.359508      7.454865
  C      -0.745296      1.400245      7.360837
  N      -0.489778      1.803162      5.940893
  C       0.013903      3.203458      5.860682
  C      -1.116289      4.159000      6.286313
  C       0.424105      0.845886      5.244735
  C      -0.133654      0.603702      3.841648
  N      -1.547079      0.307623      3.994272
  H      -1.101671      5.057025      5.647182
  H      -0.940829      4.511348      7.317939
  H       0.309155      3.373778      4.818217
  H       0.908757      3.316918      6.495258
  H       0.413791     -0.215472      3.345465
  H      -0.014288      1.515348      3.232092
  H       0.420089     -0.095681      5.811162
  H       1.452067      1.240048      5.243643
  H      -2.145447      0.285087      8.518433
  H      -1.466834     -0.644571      7.179288
  H      -1.048156      2.300807      7.904728
  H       0.188370      1.026376      7.810920
  C      -3.263844      3.763683      7.346289
  C      -3.869500      5.170520      7.219851
  O      -4.754946      5.198455      6.074436
  C      -4.234542      5.527887      4.890489
  O      -3.141418      6.060550      4.718811
  C      -5.161901      5.150542      3.760295
  N      -5.998248      4.154899      4.015647
  C      -6.782044      3.727856      2.995528
  N      -6.789336      4.177758      1.755650
  C      -5.943439      5.208678      1.474471
  C      -5.922393      5.728884      0.156730
  C      -5.095704      6.786402     -0.152384
  C      -4.271457      7.367993      0.841354
  C      -4.261630      6.879854      2.131772
  C      -5.084264      5.775363      2.478062
  C      -1.839462     -1.109098      4.072951
  C      -3.322740     -1.409052      4.026656
  O      -3.981964     -0.801219      2.859885
  C      -4.459458      0.418269      2.964303
  O      -4.303831      1.195100      3.919155
  C      -5.256261      0.830883      1.755623
  N      -6.541764      0.531605      1.763380
  C      -7.247226      0.933581      0.665095
  N      -6.786094      1.571134     -0.390873
  C      -5.458624      1.886553     -0.391373
  C      -4.899374      2.586898     -1.488000
  C      -3.555388      2.897188     -1.491001
  C      -2.714970      2.517335     -0.414555
  C      -3.228240      1.839537      0.671245
  C      -4.609512      1.524521      0.701555
  C      -4.201259     -0.002879      6.995213
  C      -4.933324      0.547224      8.224421
  O      -5.726760      1.707652      7.877405
  C      -6.928267      1.443470      7.311187
  O      -7.368729      0.319555      7.146712
  C      -7.630772      2.714435      6.906173
  N      -7.301354      3.806174      7.580910
  C      -7.918535      4.959535      7.221574
  N      -8.799476      5.126898      6.255301
  C      -9.145983      4.013905      5.547355
  C     -10.073593      4.147135      4.484661
  C     -10.436167      3.043947      3.742881
  C      -9.884282      1.772999      4.031674
  C      -8.978062      1.608382      5.059375
  C      -8.587327      2.724433      5.845912
  H      -2.733975      3.730395      8.323169
  H      -4.095652      3.053756      7.381163
  H      -3.106429      5.953633      7.121045
  H      -4.514121      5.373065      8.083762
  H      -7.464182      2.908229      3.232785
  H      -6.583650      5.274216     -0.581477
  H      -5.082772      7.191879     -1.165359
  H      -3.641222      8.220333      0.582818
  H      -3.629388      7.337014      2.889760
  H      -1.459384     -1.608028      4.992011
  H      -1.342321     -1.613003      3.223101
  H      -3.840538     -1.051594      4.917361
  H      -3.498399     -2.482812      3.899071
  H      -8.312443      0.687898      0.678179
  H      -5.556680      2.862821     -2.313225
  H      -3.124588      3.435410     -2.336504
  H      -1.650488      2.755312     -0.458495
  H      -2.584616      1.543719      1.504819
  H      -4.926608      0.002944      6.169312
  H      -3.965122     -1.064445      7.212554
  H      -5.590529     -0.225315      8.644613
  H      -4.239673      0.903146      8.996459
  H      -7.642672      5.844820      7.802084
  H     -10.477101      5.139506      4.280991
  H     -11.148447      3.147653      2.922894
  H     -10.176361      0.911241      3.429582
  H      -8.559154      0.628497      5.275299
  N      -2.041869      3.005700      3.645927
  N      -1.850774      4.083518      2.965214
  H      -2.182572      4.980538      3.355888
  H      -1.721995      4.019445      1.951950
99
Coordinates from ORCA-job orca E -6706.992970030091
  N      -2.394618      3.458908      6.232857
  Mo     -2.464445      1.831202      4.989036
  N      -2.979748      0.685050      6.596127
  C      -1.851358      0.356843      7.471026
  C      -0.743460      1.397640      7.383408
  N      -0.477659      1.798786      5.964860
  C       0.025930      3.199017      5.888676
  C      -1.109113      4.155148      6.301398
  C       0.441474      0.841490      5.276216
  C      -0.105264      0.599499      3.868710
  N      -1.519408      0.301793      4.010499
  H      -1.091045      5.049891      5.657565
  H      -0.942094      4.513026      7.332678
  H       0.332640      3.369343      4.849549
  H       0.913915      3.312732      6.532711
  H       0.446778     -0.218495      3.375726
  H       0.017680      1.511874      3.260913
  H       0.432862     -0.099962      5.842788
  H       1.469607      1.235253      5.282875
  H      -2.152392      0.284515      8.532290
  H      -1.462241     -0.647592      7.200529
  H      -1.050188      2.299157      7.923478
  H       0.186931      1.024513      7.840914
  C      -3.263878      3.759296      7.347425
  C      -3.873235      5.163303      7.213863
  O      -4.751430      5.188560      6.062047
  C      -4.222303      5.521226      4.883289
  O      -3.126374      6.051627      4.721146
  C      -5.142742      5.154964      3.744159
  N      -5.982146      4.158329      3.984417
  C      -6.761948      3.744219      2.955701
  N      -6.762026      4.207298      1.720794
  C      -5.912511      5.239452      1.455116
  C      -5.885948      5.776124      0.144264
  C      -5.056527      6.836243     -0.148650
  C      -4.234801      7.404100      0.855063
  C      -4.230930      6.900188      2.139462
  C      -5.056917      5.793202      2.468890
  C      -1.810456     -1.114854      4.084776
  C      -3.292809     -1.416672      4.040412
  O      -3.960220     -0.813149      2.875103
  C      -4.446513      0.402713      2.979929
  O      -4.276785      1.189624      3.924135
  C      -5.277506      0.799521      1.789289
  N      -6.553777      0.464938      1.827247
  C      -7.296857      0.850356      0.747449
  N      -6.877897      1.499875     -0.318610
  C      -5.559988      1.852581     -0.349593
  C      -5.046555      2.570133     -1.457131
  C      -3.713468      2.923629     -1.487374
  C      -2.839277      2.571595     -0.428978
  C      -3.307420      1.875971      0.665609
  C      -4.676108      1.515117      0.723492
  C      -4.194452     -0.009227      6.991408
  C      -4.939287      0.541783      8.212373
  O      -5.727770      1.702982      7.856179
  C      -6.923801      1.440218      7.277724
  O      -7.363759      0.317047      7.106829
  C      -7.621264      2.711996      6.866935
  N      -7.300579      3.802020      7.548424
  C      -7.917078      4.955267      7.187064
  N      -8.791705      5.123261      6.215321
  C      -9.128620      4.011943      5.499966
  C     -10.048853      4.146197      4.431051
  C     -10.399768      3.045195      3.680395
  C      -9.842349      1.775865      3.965650
  C      -8.943518      1.610218      4.999682
  C      -8.566530      2.723602      5.796608
  H      -2.741140      3.730573      8.328345
  H      -4.093398      3.046434      7.378540
  H      -3.112406      5.948906      7.118738
  H      -4.524836      5.365311      8.072664
  H      -7.449124      2.925923      3.182379
  H      -6.544867      5.332564     -0.602686
  H      -5.039448      7.254239     -1.156458
  H      -3.602250      8.258502      0.609281
  H      -3.601171      7.347067      2.905647
  H      -1.429804     -1.616092      5.002566
  H      -1.312779     -1.616224      3.233679
  H      -3.809402     -1.059874      4.932265
  H      -3.466077     -2.491006      3.914770
  H      -8.355245      0.578893      0.787488
  H      -5.729859      2.826683     -2.267321
  H      -3.317728      3.477214     -2.339874
  H      -1.784938      2.846673     -0.493571
  H      -2.637694      1.601252      1.485552
  H      -4.912418     -0.007064      6.159120
  H      -3.958251     -1.069771      7.213757
  H      -5.601845     -0.230447      8.624711
  H      -4.254410      0.897176      8.992448
  H      -7.647056      5.839553      7.771822
  H     -10.455646      5.137612      4.229351
  H     -11.106130      3.149668      2.855400
  H     -10.124257      0.916062      3.355959
  H      -8.519762      0.631627      5.212144
  N      -2.013318      2.998645      3.655707
  N      -1.822021      4.079543      2.979854
  H      -2.162032      4.974599      3.368210
  H      -1.671503      4.019554      1.969698
99
Coordinates from ORCA-job orca E -6706.993053594037
  N      -2.386345      3.451145      6.234662
  Mo     -2.442142      1.821820      4.990888
  N      -2.971904      0.679244      6.596109
  C      -1.854771      0.355062      7.486012
  C      -0.745882      1.394689      7.406253
  N      -0.465951      1.792234      5.989548
  C       0.038088      3.192281      5.916661
  C      -1.102531      4.149649      6.312685
  C       0.460236      0.834062      5.312367
  C      -0.070245      0.592372      3.898639
  N      -1.485753      0.293706      4.024640
  H      -1.078423      5.040975      5.663996
  H      -0.946339      4.513391      7.343730
  H       0.358658      3.361358      4.881580
  H       0.917565      3.307008      6.572028
  H       0.487881     -0.224609      3.410954
  H       0.058756      1.505435      3.293067
  H       0.443894     -0.107225      5.879057
  H       1.488829      1.226344      5.330819
  H      -2.168289      0.288356      8.543991
  H      -1.462926     -0.650930      7.225329
  H      -1.056525      2.297978      7.940815
  H       0.179755      1.021921      7.873675
  C      -3.265011      3.751433      7.341615
  C      -3.883771      5.149248      7.197461
  O      -4.754859      5.164793      6.039585
  C      -4.219871      5.502992      4.865537
  O      -3.122904      6.034653      4.712738
  C      -5.134238      5.143631      3.719399
  N      -5.977202      4.147311      3.949006
  C      -6.757634      3.745785      2.915950
  N      -6.755951      4.221626      1.685872
  C      -5.901677      5.252468      1.430604
  C      -5.875214      5.803684      0.125848
  C      -5.042421      6.863944     -0.156627
  C      -4.216814      7.417272      0.852030
  C      -4.213450      6.899474      2.130877
  C      -5.043529      5.792454      2.449693
  C      -1.776928     -1.122753      4.092643
  C      -3.258450     -1.424872      4.044689
  O      -3.927991     -0.823741      2.878413
  C      -4.423707      0.388129      2.982798
  O      -4.245581      1.183080      3.919188
  C      -5.279350      0.769837      1.804705
  N      -6.542448      0.389900      1.856677
  C      -7.313312      0.757917      0.789664
  N      -6.929784      1.425593     -0.278522
  C      -5.624890      1.823543     -0.324204
  C      -5.149958      2.563674     -1.433761
  C      -3.832063      2.969740     -1.473775
  C      -2.935171      2.648413     -0.424955
  C      -3.364860      1.927229      0.668496
  C      -4.717110      1.512416      0.736761
  C      -4.190570     -0.015323      6.978271
  C      -4.947045      0.531890      8.193790
  O      -5.728802      1.696869      7.835175
  C      -6.923216      1.441369      7.250200
  O      -7.367043      0.320815      7.071996
  C      -7.613490      2.717854      6.841467
  N      -7.286067      3.804844      7.524492
  C      -7.895928      4.962411      7.165361
  N      -8.772273      5.136630      6.196447
  C      -9.116141      4.028403      5.479455
  C     -10.039425      4.169305      4.414050
  C     -10.397409      3.071741      3.661750
  C      -9.843426      1.799689      3.941350
  C      -8.941424      1.627692      4.971577
  C      -8.558752      2.737004      5.771244
  H      -2.748986      3.732954      8.326352
  H      -4.088894      3.032037      7.371211
  H      -3.128310      5.939894      7.102859
  H      -4.542929      5.350132      8.050639
  H      -7.449588      2.929476      3.135945
  H      -6.535749      5.370454     -0.625664
  H      -5.025623      7.293105     -1.159746
  H      -3.581217      8.271826      0.614838
  H      -3.581641      7.335773      2.901368
  H      -1.399532     -1.626773      5.010459
  H      -1.275855     -1.621865      3.242163
  H      -3.777303     -1.068805      4.935663
  H      -3.430060     -2.499492      3.919099
  H      -8.362052      0.452678      0.843489
  H      -5.850778      2.798439     -2.235467
  H      -3.466372      3.544185     -2.325726
  H      -1.893807      2.967356     -0.496770
  H      -2.677813      1.674815      1.480861
  H      -4.900803     -0.012470      6.139426
  H      -3.956137     -1.076238      7.201388
  H      -5.615446     -0.241187      8.594956
  H      -4.270247      0.881876      8.983325
  H      -7.618276      5.844570      7.749705
  H     -10.442978      5.162832      4.216370
  H     -11.106346      3.181128      2.839593
  H     -10.130403      0.942659      3.330069
  H      -8.520031      0.647057      5.178978
  N      -1.974924      2.990185      3.662213
  N      -1.782790      4.079150      2.999783
  H      -2.137329      4.968293      3.389091
  H      -1.600966      4.030927      1.994363
99
Coordinates from ORCA-job orca E -6706.993150098539
  N      -2.370806      3.443701      6.234955
  Mo     -2.417823      1.810331      4.994251
  N      -2.963936      0.674544      6.599434
  C      -1.858668      0.352244      7.503968
  C      -0.745732      1.387650      7.429994
  N      -0.452496      1.779551      6.014733
  C       0.055714      3.178241      5.942041
  C      -1.086648      4.139533      6.324797
  C       0.477450      0.817143      5.349100
  C      -0.037476      0.576923      3.929219
  N      -1.455352      0.282140      4.039933
  H      -1.051608      5.030379      5.675884
  H      -0.939978      4.504019      7.356849
  H       0.386190      3.344104      4.909535
  H       0.929441      3.292997      6.605207
  H       0.523864     -0.241397      3.447606
  H       0.100708      1.489742      3.325245
  H       0.449892     -0.124141      5.915565
  H       1.507760      1.204313      5.379847
  H      -2.184404      0.294530      8.558791
  H      -1.467436     -0.657126      7.255619
  H      -1.057061      2.293748      7.959113
  H       0.174848      1.013318      7.906149
  C      -3.259175      3.745501      7.333665
  C      -3.883158      5.139082      7.178721
  O      -4.746290      5.145158      6.014769
  C      -4.207273      5.488359      4.844311
  O      -3.109507      6.020744      4.699065
  C      -5.119719      5.134584      3.694630
  N      -5.964231      4.137686      3.917626
  C      -6.750736      3.748579      2.884873
  N      -6.757362      4.240291      1.660836
  C      -5.900904      5.270837      1.412067
  C      -5.884736      5.838971      0.114327
  C      -5.049875      6.898794     -0.162849
  C      -4.210558      7.433748      0.844411
  C      -4.197530      6.899719      2.116430
  C      -5.031420      5.794118      2.430450
  C      -1.751897     -1.133604      4.097868
  C      -3.233671     -1.431269      4.048073
  O      -3.904767     -0.828491      2.882469
  C      -4.406341      0.380752      2.987902
  O      -4.215845      1.182896      3.915862
  C      -5.286615      0.748254      1.823515
  N      -6.534855      0.322603      1.884636
  C      -7.330296      0.677101      0.830874
  N      -6.981097      1.366399     -0.235383
  C      -5.690536      1.807918     -0.291856
  C      -5.251604      2.571018     -1.400520
  C      -3.950288      3.026819     -1.446721
  C      -3.034315      2.732395     -0.406658
  C      -3.427584      1.985020      0.682633
  C      -4.762424      1.519604      0.757847
  C      -4.188538     -0.014837      6.972292
  C      -4.952666      0.535899      8.181541
  O      -5.729798      1.701322      7.815332
  C      -6.920932      1.446771      7.223971
  O      -7.365402      0.326411      7.045946
  C      -7.607177      2.723811      6.809215
  N      -7.276761      3.812895      7.487556
  C      -7.880939      4.971317      7.121567
  N      -8.756319      5.144052      6.151548
  C      -9.103814      4.033562      5.439758
  C     -10.027063      4.172644      4.374084
  C     -10.389382      3.072772      3.627368
  C      -9.839688      1.800268      3.913079
  C      -8.937354      1.630072      4.943319
  C      -8.550824      2.741709      5.737588
  H      -2.749862      3.735896      8.322024
  H      -4.079898      3.022222      7.361506
  H      -3.130540      5.932393      7.083894
  H      -4.549366      5.341014      8.026095
  H      -7.442178      2.930178      3.100171
  H      -6.554210      5.417734     -0.636011
  H      -5.041674      7.341378     -1.160253
  H      -3.572105      8.287471      0.612098
  H      -3.555878      7.322112      2.886351
  H      -1.376768     -1.644343      5.013028
  H      -1.250923     -1.629475      3.245363
  H      -3.752546     -1.075687      4.939081
  H      -3.407289     -2.505563      3.920760
  H      -8.368079      0.337983      0.894616
  H      -5.967149      2.786160     -2.194630
  H      -3.613266      3.622708     -2.295773
  H      -2.006653      3.092054     -0.483402
  H      -2.725121      1.750394      1.486722
  H      -4.892419     -0.011301      6.128211
  H      -3.959868     -1.076452      7.198814
  H      -5.624690     -0.235648      8.579496
  H      -4.281375      0.886386      8.975502
  H      -7.599668      5.855451      7.701133
  H     -10.427611      5.166473      4.171927
  H     -11.098763      3.180520      2.805409
  H     -10.130179      0.941233      3.306229
  H      -8.519448      0.648945      5.155026
  N      -1.928468      2.977772      3.670198
  N      -1.728026      4.074804      3.024110
  H      -2.093222      4.959108      3.414978
  H      -1.512648      4.040639      2.024816
99
Coordinates from ORCA-job orca E -6706.993223544908
  N      -2.349641      3.432526      6.219930
  Mo     -2.383022      1.786885      4.994169
  N      -2.957535      0.668859      6.602711
  C      -1.869576      0.352091      7.529781
  C      -0.748946      1.381005      7.460919
  N      -0.436028      1.758898      6.046612
  C       0.079134      3.155555      5.965431
  C      -1.065535      4.124551      6.325322
  C       0.498549      0.785313      5.403464
  C       0.007946      0.538628      3.975803
  N      -1.414216      0.254150      4.064999
  H      -1.012073      5.013193      5.675056
  H      -0.933005      4.492195      7.357646
  H       0.421264      3.310033      4.934844
  H       0.945809      3.275344      6.637370
  H       0.572296     -0.286949      3.510563
  H       0.162756      1.445922      3.367350
  H       0.451704     -0.153127      5.973802
  H       1.531592      1.163601      5.452031
  H      -2.212815      0.312803      8.580006
  H      -1.480608     -0.663598      7.304639
  H      -1.060985      2.292716      7.979638
  H       0.164352      1.006161      7.950517
  C      -3.251710      3.735238      7.307496
  C      -3.886995      5.121055      7.133745
  O      -4.739091      5.103152      5.962678
  C      -4.203659      5.457640      4.793540
  O      -3.107634      5.994328      4.653493
  C      -5.121748      5.104662      3.646854
  N      -5.956926      4.098304      3.867558
  C      -6.765312      3.726470      2.846386
  N      -6.815417      4.255151      1.638140
  C      -5.967639      5.292999      1.391395
  C      -5.995094      5.895592      0.109061
  C      -5.163792      6.956770     -0.171254
  C      -4.281718      7.456477      0.817489
  C      -4.226806      6.889994      2.073942
  C      -5.060447      5.785037      2.392966
  C      -1.725109     -1.159568      4.112396
  C      -3.209047     -1.445932      4.051170
  O      -3.869844     -0.837226      2.881857
  C      -4.370968      0.372540      2.982866
  O      -4.178185      1.178061      3.907713
  C      -5.257037      0.729652      1.819597
  N      -6.491932      0.263895      1.871062
  C      -7.296956      0.613906      0.824043
  N      -6.968583      1.330736     -0.230571
  C      -5.690209      1.806738     -0.281782
  C      -5.271145      2.590091     -1.383828
  C      -3.983769      3.082959     -1.424055
  C      -3.062474      2.808112     -0.382548
  C      -3.435146      2.038214      0.698721
  C      -4.755307      1.530804      0.765930
  C      -4.189951     -0.014846      6.961566
  C      -4.961185      0.535984      8.166703
  O      -5.730505      1.705934      7.800969
  C      -6.917792      1.458407      7.200665
  O      -7.362572      0.339380      7.014865
  C      -7.601893      2.740361      6.795033
  N      -7.259412      3.826879      7.472138
  C      -7.855430      4.990549      7.110390
  N      -8.734076      5.171533      6.144568
  C      -9.097103      4.063751      5.436559
  C     -10.027401      4.211066      4.378116
  C     -10.409846      3.113683      3.638122
  C      -9.874148      1.835406      3.924333
  C      -8.963364      1.657343      4.945809
  C      -8.554877      2.766664      5.731938
  H      -2.749176      3.742526      8.299298
  H      -4.066127      3.004619      7.336432
  H      -3.139963      5.919325      7.034013
  H      -4.561795      5.325386      7.973734
  H      -7.438300      2.890793      3.056399
  H      -6.693416      5.494710     -0.625860
  H      -5.190146      7.426537     -1.155854
  H      -3.642925      8.309636      0.584189
  H      -3.552911      7.285539      2.830218
  H      -1.360315     -1.676022      5.028384
  H      -1.221453     -1.656618      3.262133
  H      -3.732429     -1.088927      4.938919
  H      -3.389433     -2.518844      3.918850
  H      -8.323544      0.242053      0.881239
  H      -5.991385      2.791203     -2.177407
  H      -3.664007      3.697265     -2.267349
  H      -2.046720      3.201274     -0.452728
  H      -2.727378      1.814229      1.500686
  H      -4.885968     -0.005489      6.111231
  H      -3.970122     -1.078861      7.187066
  H      -5.638298     -0.234162      8.558531
  H      -4.294309      0.881095      8.966625
  H      -7.563970      5.872157      7.688872
  H     -10.418742      5.208820      4.177259
  H     -11.125882      3.227371      2.822882
  H     -10.182456      0.977953      3.324050
  H      -8.557514      0.671402      5.158208
  N      -1.859953      2.947391      3.672838
  N      -1.647075      4.054098      3.049313
  H      -2.031919      4.930979      3.438106
  H      -1.379240      4.039163      2.062656
99
Coordinates from ORCA-job orca E -6706.993434413013
  N      -2.341028      3.426023      6.217200
  Mo     -2.363874      1.773514      4.999099
  N      -2.950162      0.662060      6.608228
  C      -1.868212      0.348181      7.543572
  C      -0.747240      1.377003      7.479041
  N      -0.424987      1.750497      6.065700
  C       0.090339      3.147009      5.983936
  C      -1.056720      4.116471      6.333795
  C       0.513621      0.774179      5.432200
  C       0.033855      0.522893      4.001623
  N      -1.389417      0.239584      4.080748
  H      -0.996542      5.005375      5.684477
  H      -0.932832      4.483798      7.367520
  H       0.439187      3.298371      4.955161
  H       0.952561      3.269597      6.661059
  H       0.600917     -0.304955      3.543911
  H       0.193696      1.427638      3.390819
  H       0.461139     -0.162442      6.004859
  H       1.546487      1.151943      5.487274
  H      -2.217931      0.311760      8.591819
  H      -1.478073     -0.667987      7.323108
  H      -1.063389      2.290063      7.993048
  H       0.162856      1.003949      7.975834
  C      -3.252431      3.733286      7.295801
  C      -3.883167      5.120699      7.114118
  O      -4.728757      5.103785      5.938498
  C      -4.187102      5.458045      4.772247
  O      -3.088884      5.991486      4.637245
  C      -5.102861      5.113594      3.621559
  N      -5.938018      4.105406      3.833005
  C      -6.746273      3.743400      2.807998
  N      -6.799307      4.285817      1.605940
  C      -5.952096      5.326644      1.369687
  C      -5.983141      5.945911      0.095478
  C      -5.150476      7.008787     -0.174558
  C      -4.263285      7.493902      0.816956
  C      -4.206178      6.912491      2.066399
  C      -5.041995      5.806117      2.374611
  C      -1.702068     -1.173785      4.122682
  C      -3.185961     -1.460083      4.063376
  O      -3.852554     -0.855673      2.894465
  C      -4.357452      0.352943      2.994260
  O      -4.150543      1.168506      3.906499
  C      -5.271593      0.697080      1.849363
  N      -6.491226      0.193792      1.913762
  C      -7.322710      0.533405      0.884166
  N      -7.032357      1.272835     -0.166222
  C      -5.769681      1.787579     -0.230833
  C      -5.391570      2.598282     -1.327751
  C      -4.120556      3.131409     -1.379773
  C      -3.176259      2.872394     -0.355317
  C      -3.509395      2.078856      0.721432
  C      -4.811638      1.528688      0.800173
  C      -4.185133     -0.020224      6.961842
  C      -4.965497      0.535329      8.158897
  O      -5.732473      1.704044      7.783513
  C      -6.915628      1.455634      7.175358
  O      -7.359606      0.336662      6.987374
  C      -7.595026      2.737204      6.761502
  N      -7.259056      3.823903      7.441519
  C      -7.853161      4.986958      7.074994
  N      -8.724035      5.167314      6.101951
  C      -9.080199      4.059363      5.390730
  C     -10.002366      4.205745      4.325116
  C     -10.376770      3.108182      3.581150
  C      -9.840239      1.830814      3.869959
  C      -8.937647      1.653464      4.898851
  C      -8.538450      2.762826      5.689857
  H      -2.758573      3.741401      8.292015
  H      -4.068586      3.004822      7.318930
  H      -3.132659      5.916150      7.017930
  H      -4.562284      5.328888      7.949773
  H      -7.419049      2.905788      3.010003
  H      -6.685280      5.555805     -0.641635
  H      -5.179016      7.490740     -1.153146
  H      -3.622473      8.347748      0.591637
  H      -3.528260      7.296664      2.825113
  H      -1.336025     -1.693636      5.036235
  H      -1.200479     -1.667992      3.269543
  H      -3.707492     -1.101703      4.951689
  H      -3.366043     -2.533323      3.934435
  H      -8.337502      0.132237      0.953018
  H      -6.129414      2.787303     -2.108044
  H      -3.831891      3.765960     -2.219047
  H      -2.175209      3.299941     -0.433861
  H      -2.784042      1.868652      1.511104
  H      -4.875147     -0.014768      6.106608
  H      -3.966535     -1.083043      7.193637
  H      -5.645597     -0.233128      8.548948
  H      -4.304423      0.883470      8.962341
  H      -7.567268      5.868832      7.655963
  H     -10.393385      5.203119      4.121682
  H     -11.085992      3.221301      2.759896
  H     -10.141469      0.973431      3.265998
  H      -8.530932      0.668194      5.113009
  N      -1.830172      2.931122      3.677656
  N      -1.614935      4.041115      3.061153
  H      -2.004587      4.916317      3.449264
  H      -1.329426      4.032552      2.079606
99
Coordinates from ORCA-job orca E -6706.993631278447
  N      -2.333678      3.419952      6.213696
  Mo     -2.346512      1.760090      5.004052
  N      -2.942875      0.654924      6.614060
  C      -1.865460      0.343843      7.555962
  C      -0.744825      1.373215      7.495009
  N      -0.414730      1.742754      6.082432
  C       0.100143      3.139301      5.999921
  C      -1.049012      4.108587      6.341414
  C       0.527542      0.764016      5.457537
  C       0.056948      0.507412      4.024812
  N      -1.367234      0.224867      4.095451
  H      -0.982881      4.998390      5.693914
  H      -0.933171      4.474596      7.376823
  H       0.454444      3.287774      4.972619
  H       0.958628      3.264919      6.681179
  H       0.626262     -0.322833      3.574442
  H       0.220860      1.409297      3.411050
  H       0.470623     -0.170585      6.032826
  H       1.559981      1.142008      5.517602
  H      -2.220125      0.309103      8.602671
  H      -1.473979     -0.672331      7.338500
  H      -1.065346      2.287302      8.004728
  H       0.162642      1.002410      7.998149
  C      -3.254049      3.732700      7.283259
  C      -3.877736      5.123163      7.094408
  O      -4.717400      5.109731      5.914769
  C      -4.169129      5.462181      4.751144
  O      -3.068495      5.991599      4.620423
  C      -5.082730      5.126781      3.596689
  N      -5.918639      4.117696      3.799310
  C      -6.725607      3.764647      2.769875
  N      -6.779420      4.318751      1.573183
  C      -5.932170      5.361939      1.347230
  C      -5.964411      5.996110      0.080506
  C      -5.129548      7.059994     -0.179235
  C      -4.239011      7.531817      0.815784
  C      -4.182214      6.937367      2.059021
  C      -5.020922      5.830208      2.356231
  C      -1.681035     -1.188235      4.132547
  C      -3.164890     -1.475066      4.076513
  O      -3.838416     -0.875704      2.908318
  C      -4.346581      0.332043      3.007283
  O      -4.124565      1.157639      3.905928
  C      -5.289375      0.664257      1.882789
  N      -6.493084      0.125288      1.959569
  C      -7.350840      0.456379      0.948966
  N      -7.099296      1.219423     -0.094824
  C      -5.853238      1.771545     -0.171870
  C      -5.517308      2.611692     -1.260210
  C      -4.263225      3.183014     -1.323276
  C      -3.295456      2.935699     -0.318479
  C      -3.588404      2.117567      0.751138
  C      -4.872162      1.527082      0.840754
  C      -4.179852     -0.026089      6.964057
  C      -4.968966      0.535360      8.152539
  O      -5.734399      1.701878      7.766099
  C      -6.913381      1.451220      7.150586
  O      -7.356218      0.331962      6.961703
  C      -7.587884      2.731510      6.726087
  N      -7.260519      3.819097      7.408790
  C      -7.853301      4.980668      7.035857
  N      -8.714722      5.158996      6.053945
  C      -9.061661      4.050151      5.339577
  C      -9.973659      4.194046      4.264966
  C     -10.337204      3.095520      3.516854
  C      -9.798898      1.819804      3.809815
  C      -8.906666      1.644617      4.848128
  C      -8.519750      2.754840      5.644273
  H      -2.769137      3.739871      8.283942
  H      -4.073173      3.007927      7.299799
  H      -3.122185      5.914343      7.002415
  H      -4.560338      5.336114      7.926157
  H      -7.399354      2.926319      2.964208
  H      -6.669341      5.616122     -0.659284
  H      -5.158156      7.552556     -1.152466
  H      -3.595556      8.385785      0.598310
  H      -3.501457      7.311073      2.820651
  H      -1.312538     -1.711277      5.043245
  H      -1.182488     -1.679364      3.275867
  H      -3.683837     -1.115039      4.965704
  H      -3.344417     -2.548714      3.951852
  H      -8.353430      0.027525      1.029034
  H      -6.272967      2.791410     -2.025545
  H      -4.006197      3.838738     -2.156208
  H      -2.309661      3.395723     -0.404816
  H      -2.845425      1.918768      1.527067
  H      -4.864269     -0.025640      6.104317
  H      -3.961906     -1.087265      7.203179
  H      -5.651581     -0.231088      8.542263
  H      -4.313386      0.888013      8.958551
  H      -7.575040      5.863400      7.619369
  H     -10.364831      5.190571      4.057603
  H     -11.037827      3.206957      2.688018
  H     -10.090647      0.961927      3.201930
  H      -8.498274      0.660607      5.065288
  N      -1.804289      2.914471      3.681503
  N      -1.587148      4.026958      3.070433
  H      -1.979804      4.901236      3.457962
  H      -1.287861      4.023379      2.093152
99
Coordinates from ORCA-job orca E -6706.993767267007
  N      -2.330325      3.418441      6.211933
  Mo     -2.341942      1.754289      5.006325
  N      -2.940692      0.653507      6.618391
  C      -1.861501      0.340955      7.558280
  C      -0.741732      1.370766      7.497965
  N      -0.410510      1.739341      6.085324
  C       0.103804      3.135809      6.002253
  C      -1.044173      4.103535      6.347359
  C       0.531961      0.759571      5.461945
  C       0.061407      0.499174      4.029968
  N      -1.363080      0.217718      4.100408
  H      -0.976072      4.998205      5.706679
  H      -0.930194      4.461941      7.385953
  H       0.455568      3.284041      4.974056
  H       0.963752      3.262183      6.681414
  H       0.629929     -0.333324      3.582853
  H       0.225946      1.398581      3.412858
  H       0.475197     -0.173508      6.039459
  H       1.564020      1.138616      5.520527
  H      -2.214208      0.302548      8.605532
  H      -1.470100     -0.674004      7.335720
  H      -1.064652      2.284780      8.006567
  H       0.165115      1.001026      8.002868
  C      -3.252539      3.733734      7.279394
  C      -3.861343      5.132158      7.097651
  O      -4.701191      5.135455      5.918578
  C      -4.147829      5.480972      4.755494
  O      -3.043488      6.002336      4.624004
  C      -5.063093      5.154349      3.600699
  N      -5.898345      4.143995      3.797926
  C      -6.701012      3.793866      2.763750
  N      -6.751135      4.351807      1.568894
  C      -5.905416      5.397841      1.349851
  C      -5.933744      6.038739      0.086532
  C      -5.098345      7.104432     -0.164819
  C      -4.211758      7.572547      0.835631
  C      -4.160175      6.972888      2.076577
  C      -4.999590      5.863945      2.364221
  C      -1.677509     -1.195093      4.136141
  C      -3.161471     -1.481582      4.089935
  O      -3.844096     -0.889738      2.923359
  C      -4.351409      0.319244      3.018169
  O      -4.114637      1.155258      3.903099
  C      -5.312386      0.641044      1.906281
  N      -6.503873      0.076143      1.989173
  C      -7.375469      0.391556      0.986008
  N      -7.147786      1.162334     -0.057626
  C      -5.915005      1.742060     -0.141353
  C      -5.605422      2.591307     -1.230331
  C      -4.364413      3.189167     -1.301998
  C      -3.384462      2.961791     -0.304506
  C      -3.652462      2.138226      0.767454
  C      -4.922600      1.519583      0.865596
  C      -4.178327     -0.024410      6.972114
  C      -4.969363      0.546411      8.154673
  O      -5.736943      1.708197      7.757303
  C      -6.913494      1.450799      7.139421
  O      -7.353420      0.329732      6.954890
  C      -7.586371      2.726754      6.700457
  N      -7.271884      3.818024      7.383280
  C      -7.866939      4.975130      7.000384
  N      -8.717753      5.146108      6.007929
  C      -9.050437      4.033562      5.292588
  C      -9.949775      4.169499      4.206359
  C     -10.296390      3.067259      3.455564
  C      -9.752860      1.795673      3.756900
  C      -8.873854      1.627881      4.807657
  C      -8.505029      2.741987      5.607237
  H      -2.772036      3.728194      8.282314
  H      -4.079089      3.017603      7.287136
  H      -3.096720      5.915303      7.012308
  H      -4.541653      5.347826      7.930614
  H      -7.374873      2.954492      2.952312
  H      -6.636950      5.663074     -0.657204
  H      -5.122768      7.601154     -1.136020
  H      -3.567479      8.427366      0.623943
  H      -3.481818      7.342710      2.842509
  H      -1.302630     -1.720466      5.042829
  H      -1.185938     -1.683894      3.274095
  H      -3.673768     -1.116600      4.981014
  H      -3.341674     -2.555884      3.973414
  H      -8.367615     -0.060008      1.070138
  H      -6.370327      2.755660     -1.989888
  H      -4.126817      3.849517     -2.136927
  H      -2.409897      3.443925     -0.396929
  H      -2.900419      1.957696      1.539015
  H      -4.861425     -0.029861      6.111174
  H      -3.960933     -1.083623      7.219284
  H      -5.651430     -0.217151      8.551107
  H      -4.314413      0.907421      8.957550
  H      -7.600560      5.860849      7.584895
  H     -10.343773      5.163368      3.991655
  H     -10.986184      3.172887      2.616909
  H     -10.030509      0.935084      3.146328
  H      -8.461156      0.647026      5.031343
  N      -1.797602      2.907492      3.683027
  N      -1.579306      4.020149      3.073021
  H      -1.969269      4.895811      3.460795
  H      -1.278356      4.017022      2.096428
99
Coordinates from ORCA-job orca E -6706.993862740460
  N      -2.337626      3.416496      6.206314
  Mo     -2.346125      1.748615      5.005926
  N      -2.942856      0.651030      6.620181
  C      -1.857171      0.338067      7.553564
  C      -0.741750      1.372585      7.492768
  N      -0.412164      1.741809      6.079554
  C       0.097654      3.139663      5.995614
  C      -1.051964      4.103310      6.344409
  C       0.532808      0.764442      5.455913
  C       0.058872      0.497240      4.026592
  N      -1.364214      0.211748      4.101890
  H      -0.988540      5.000651      5.706833
  H      -0.938475      4.458081      7.384409
  H       0.445975      3.288817      4.966378
  H       0.958912      3.268415      6.672438
  H       0.628495     -0.335749      3.581732
  H       0.219074      1.394325      3.404806
  H       0.482249     -0.166782      6.036942
  H       1.563081      1.148892      5.509701
  H      -2.204417      0.291387      8.602150
  H      -1.462791     -0.673542      7.321205
  H      -1.070421      2.285203      8.000125
  H       0.166217      1.007331      7.998875
  C      -3.260105      3.730331      7.274078
  C      -3.850522      5.137660      7.107815
  O      -4.690608      5.163376      5.928780
  C      -4.132028      5.504126      4.766884
  O      -3.021331      6.012155      4.635825
  C      -5.048003      5.187819      3.609569
  N      -5.883389      4.175721      3.798315
  C      -6.680332      3.830869      2.757410
  N      -6.722191      4.392721      1.564587
  C      -5.876136      5.440311      1.354293
  C      -5.892710      6.084981      0.092692
  C      -5.056274      7.152566     -0.146801
  C      -4.181630      7.621162      0.864041
  C      -4.141692      7.018179      2.103832
  C      -4.980271      5.905237      2.377690
  C      -1.674186     -1.201983      4.142707
  C      -3.157238     -1.493245      4.108972
  O      -3.850691     -0.915194      2.942726
  C      -4.357107      0.295272      3.026706
  O      -4.112667      1.144448      3.897817
  C      -5.326547      0.605410      1.919810
  N      -6.507935      0.020150      2.004529
  C      -7.388048      0.321702      1.005707
  N      -7.177862      1.100322     -0.035902
  C      -5.956318      1.702296     -0.122301
  C      -5.667468      2.558625     -1.211452
  C      -4.436238      3.173936     -1.291344
  C      -3.446943      2.961342     -0.299626
  C      -3.696031      2.134884      0.774865
  C      -4.955761      1.495502      0.880361
  C      -4.178456     -0.026311      6.980778
  C      -4.968556      0.554994      8.158332
  O      -5.735331      1.714200      7.752461
  C      -6.910144      1.452507      7.132623
  O      -7.350149      0.330523      6.954857
  C      -7.583973      2.725568      6.686044
  N      -7.282202      3.818479      7.372149
  C      -7.882714      4.971669      6.985520
  N      -8.727055      5.137345      5.986834
  C      -9.044617      4.023493      5.266698
  C      -9.934645      4.154333      4.172153
  C     -10.263097      3.051352      3.414462
  C      -9.709661      1.784156      3.716378
  C      -8.840836      1.621053      4.776222
  C      -8.491411      2.735824      5.583639
  H      -2.784580      3.703350      8.279084
  H      -4.096478      3.025239      7.268968
  H      -3.077142      5.913151      7.033564
  H      -4.527999      5.352621      7.943060
  H      -7.355454      2.990504      2.937370
  H      -6.588001      5.711886     -0.659700
  H      -5.070658      7.651201     -1.117282
  H      -3.537731      8.478182      0.660629
  H      -3.472530      7.387164      2.878088
  H      -1.290260     -1.725038      5.046960
  H      -1.188227     -1.690059      3.276932
  H      -3.663387     -1.122266      5.001129
  H      -3.334034     -2.569389      4.003978
  H      -8.371475     -0.147468      1.090344
  H      -6.439887      2.712939     -1.965340
  H      -4.213251      3.836231     -2.128825
  H      -2.481318      3.460258     -0.396262
  H      -2.938279      1.971600      1.544282
  H      -4.862051     -0.040788      6.119948
  H      -3.958926     -1.082732      7.237292
  H      -5.651775     -0.204179      8.561270
  H      -4.311955      0.921932      8.957261
  H      -7.628322      5.858326      7.573687
  H     -10.335028      5.145291      3.955942
  H     -10.944735      3.153256      2.568672
  H      -9.973035      0.923120      3.100334
  H      -8.421039      0.643397      5.001107
  N      -1.810807      2.899765      3.677875
  N      -1.590261      4.010185      3.064368
  H      -1.967374      4.890414      3.455171
  H      -1.302425      4.001308      2.083404
99
Coordinates from ORCA-job orca E -6706.993881019377
  N      -2.339808      3.417264      6.202303
  Mo     -2.348492      1.747389      5.004861
  N      -2.943492      0.652357      6.621364
  C      -1.855459      0.339194      7.552037
  C      -0.740715      1.374209      7.489408
  N      -0.412804      1.743073      6.075523
  C       0.095780      3.141202      5.990561
  C      -1.053704      4.103739      6.341718
  C       0.532520      0.766227      5.451443
  C       0.055942      0.495379      4.023862
  N      -1.366806      0.209343      4.102151
  H      -0.991331      5.002600      5.706406
  H      -0.939848      4.455823      7.382560
  H       0.442204      3.290619      4.960715
  H       0.958127      3.270517      6.665911
  H       0.625252     -0.338409      3.580047
  H       0.214550      1.390991      3.399607
  H       0.485569     -0.163816      6.034711
  H       1.562011      1.153161      5.501637
  H      -2.200307      0.291107      8.601334
  H      -1.460982     -0.671936      7.317415
  H      -1.069578      2.286940      7.996410
  H       0.167737      1.009721      7.995190
  C      -3.261782      3.730590      7.270788
  C      -3.849044      5.139294      7.107916
  O      -4.689851      5.167817      5.929310
  C      -4.130472      5.505242      4.766918
  O      -3.019769      6.013136      4.635478
  C      -5.047295      5.191311      3.609509
  N      -5.881545      4.177522      3.795209
  C      -6.677355      3.834754      2.752594
  N      -6.719406      4.400312      1.561505
  C      -5.873511      5.448360      1.353898
  C      -5.886992      6.094245      0.092842
  C      -5.049993      7.162090     -0.143307
  C      -4.178105      7.630165      0.870227
  C      -4.140637      7.025414      2.109171
  C      -4.979288      5.911549      2.379375
  C      -1.675985     -1.204697      4.146442
  C      -3.158761     -1.498006      4.115241
  O      -3.853743     -0.924245      2.948702
  C      -4.356738      0.287810      3.026356
  O      -4.113648      1.141320      3.894462
  C      -5.323706      0.594400      1.916915
  N      -6.501853      0.001642      1.995198
  C      -7.381128      0.302921      0.996094
  N      -7.173140      1.089385     -0.040495
  C      -5.954336      1.697583     -0.121440
  C      -5.667427      2.559990     -1.206575
  C      -4.436905      3.176632     -1.284649
  C      -3.447100      2.960839     -0.294011
  C      -3.695395      2.131175      0.778100
  C      -4.954350      1.489987      0.881675
  C      -4.178447     -0.025588      6.983951
  C      -4.968886      0.557160      8.160412
  O      -5.735970      1.715771      7.753471
  C      -6.910240      1.453844      7.132631
  O      -7.350232      0.331914      6.954914
  C      -7.584099      2.726805      6.685760
  N      -7.282930      3.819703      7.372178
  C      -7.884809      4.972573      6.986463
  N      -8.730117      5.137810      5.988540
  C      -9.047144      4.023956      5.268210
  C      -9.938799      4.154263      4.174866
  C     -10.267396      3.051196      3.417407
  C      -9.712521      1.784377      3.718391
  C      -8.842106      1.621852      4.776992
  C      -8.492307      2.736746      5.584062
  H      -2.787251      3.698041      8.276186
  H      -4.100088      3.028149      7.263082
  H      -3.075046      5.914381      7.035237
  H      -4.525631      5.353933      7.944025
  H      -7.351834      2.993127      2.929427
  H      -6.579759      5.721680     -0.662151
  H      -5.061653      7.661432     -1.113456
  H      -3.534337      8.487863      0.669195
  H      -3.473333      7.393622      2.885458
  H      -1.290416     -1.725541      5.051216
  H      -1.190889     -1.693843      3.280802
  H      -3.663824     -1.125312      5.007034
  H      -3.334151     -2.574696      4.013647
  H      -8.362056     -0.172604      1.075208
  H      -6.440053      2.715687     -1.959989
  H      -4.214306      3.841389     -2.120272
  H      -2.481639      3.460373     -0.389140
  H      -2.937442      1.966386      1.546960
  H      -4.862128     -0.043005      6.123207
  H      -3.957566     -1.081095      7.242936
  H      -5.652307     -0.201477      8.564101
  H      -4.312076      0.924896      8.958804
  H      -7.630348      5.859423      7.574360
  H     -10.340329      5.144950      3.959505
  H     -10.950321      3.152577      2.572613
  H      -9.976825      0.923160      3.103071
  H      -8.422055      0.644262      5.001897
  N      -1.813721      2.897342      3.675799
  N      -1.594164      4.006731      3.059795
  H      -1.973890      4.887360      3.447045
  H      -1.306377      3.994497      2.078896
99
Coordinates from ORCA-job orca E -6706.993890755731
  N      -2.342601      3.417193      6.201392
  Mo     -2.350857      1.746397      5.005581
  N      -2.944708      0.652565      6.623210
  C      -1.854766      0.339919      7.552149
  C      -0.740088      1.375262      7.487708
  N      -0.413632      1.744377      6.073357
  C       0.093349      3.143074      5.988280
  C      -1.056522      4.104155      6.341934
  C       0.532435      0.768905      5.448241
  C       0.053453      0.495826      4.021939
  N      -1.368818      0.208501      4.102806
  H      -0.995419      5.004487      5.708726
  H      -0.942472      4.453668      7.383644
  H       0.438264      3.293528      4.958091
  H       0.956511      3.272824      6.662545
  H       0.622882     -0.337807      3.577925
  H       0.210174      1.390992      3.396600
  H       0.489763     -0.160537      6.032867
  H       1.561002      1.158697      5.495266
  H      -2.198052      0.291790      8.601997
  H      -1.460247     -0.671094      7.316978
  H      -1.068563      2.288056      7.994841
  H       0.168874      1.011119      7.992814
  C      -3.265008      3.729386      7.269937
  C      -3.850964      5.138874      7.109560
  O      -4.690385      5.169481      5.929490
  C      -4.128907      5.508623      4.768687
  O      -3.017558      6.015803      4.639922
  C      -5.041972      5.194890      3.608383
  N      -5.873494      4.177979      3.789060
  C      -6.665995      3.836266      2.743462
  N      -6.707459      4.405831      1.554235
  C      -5.863419      5.456242      1.351410
  C      -5.874604      6.104868      0.091728
  C      -5.039763      7.175565     -0.139202
  C      -4.172825      7.644184      0.878318
  C      -4.137297      7.036364      2.115751
  C      -4.973224      5.919003      2.380574
  C      -1.676128     -1.205984      4.149190
  C      -3.158470     -1.502037      4.120660
  O      -3.856648     -0.931307      2.955013
  C      -4.357565      0.281579      3.028213
  O      -4.114652      1.138257      3.893480
  C      -5.325838      0.584645      1.919011
  N      -6.500240     -0.015856      1.996587
  C      -7.383436      0.284084      1.000905
  N      -7.182347      1.076374     -0.032873
  C      -5.966535      1.690200     -0.114979
  C      -5.686054      2.555688     -1.199516
  C      -4.457032      3.174702     -1.281698
  C      -3.463078      2.959255     -0.295005
  C      -3.705880      2.128485      0.777445
  C      -4.962864      1.484245      0.885008
  C      -4.178937     -0.026309      6.987486
  C      -4.969642      0.556683      8.163626
  O      -5.736822      1.715217      7.756683
  C      -6.909328      1.453213      7.132653
  O      -7.348776      0.331283      6.953512
  C      -7.582309      2.726070      6.684616
  N      -7.282688      3.818723      7.372002
  C      -7.882695      4.971946      6.984317
  N      -8.725099      5.137468      5.983946
  C      -9.040213      4.023795      5.262437
  C      -9.928080      4.154601      4.166046
  C     -10.254290      3.051837      3.407074
  C      -9.700742      1.784780      3.709667
  C      -8.834006      1.621844      4.771196
  C      -8.486765      2.736436      5.579852
  H      -2.792177      3.692204      8.276014
  H      -4.104438      3.028584      7.259436
  H      -3.077737      5.915072      7.039773
  H      -4.528772      5.352053      7.945178
  H      -7.338711      2.992527      2.916163
  H      -6.563231      5.731981     -0.666858
  H      -5.049457      7.676849     -1.108359
  H      -3.531502      8.504696      0.681364
  H      -3.473772      7.405070      2.895063
  H      -1.288361     -1.725231      5.053911
  H      -1.191668     -1.695217      3.283290
  H      -3.662465     -1.129610      5.013004
  H      -3.331578     -2.579183      4.020779
  H      -8.361465     -0.197591      1.079907
  H      -6.461844      2.710145     -1.949987
  H      -4.238624      3.840397     -2.117722
  H      -2.498462      3.459774     -0.393570
  H      -2.944441      1.963648      1.542863
  H      -4.862987     -0.046236      6.127147
  H      -3.956465     -1.081045      7.248179
  H      -5.653353     -0.201848      8.567075
  H      -4.312710      0.924181      8.962036
  H      -7.629098      5.858896      7.572576
  H     -10.328572      5.145476      3.949593
  H     -10.934212      3.153522      2.559927
  H      -9.963168      0.923826      3.093162
  H      -8.415076      0.644071      4.997391
  N      -1.819177      2.896847      3.675960
  N      -1.602287      4.007732      3.061488
  H      -1.980405      4.887501      3.452067
  H      -1.318423      3.997039      2.079754
99
Coordinates from ORCA-job orca E -6706.993897111573
  N      -2.341218      3.417493      6.201672
  Mo     -2.352364      1.747654      5.005153
  N      -2.944401      0.652593      6.622703
  C      -1.855045      0.339941      7.551852
  C      -0.740174      1.374832      7.486728
  N      -0.414440      1.743523      6.072172
  C       0.093965      3.141734      5.986564
  C      -1.055043      4.104214      6.339716
  C       0.530480      0.767403      5.446413
  C       0.050579      0.495385      4.020128
  N      -1.371801      0.209067      4.101581
  H      -0.993718      5.003286      5.704748
  H      -0.939901      4.455515      7.380544
  H       0.438891      3.291699      4.956269
  H       0.957323      3.270693      6.660775
  H       0.619251     -0.338330      3.575300
  H       0.207822      1.390929      3.395396
  H       0.487381     -0.162296      6.030674
  H       1.559505      1.156075      5.493364
  H      -2.198707      0.293105      8.601630
  H      -1.460734     -0.671530      7.318249
  H      -1.067709      2.287931      7.993928
  H       0.169039      1.010399      7.991184
  C      -3.262307      3.729720      7.271229
  C      -3.851584      5.137258      7.108355
  O      -4.692328      5.163105      5.929046
  C      -4.133003      5.501915      4.767058
  O      -3.022936      6.011398      4.636480
  C      -5.048807      5.187576      3.608978
  N      -5.880745      4.171378      3.792230
  C      -6.676913      3.830136      2.749422
  N      -6.721716      4.399861      1.560300
  C      -5.877492      5.449608      1.354807
  C      -5.893470      6.098823      0.095425
  C      -5.058278      7.168467     -0.138828
  C      -4.185849      7.634992      0.874918
  C      -4.145764      7.026665      2.111957
  C      -4.982574      5.910888      2.380581
  C      -1.679688     -1.205203      4.149201
  C      -3.162208     -1.499784      4.119619
  O      -3.857905     -0.927039      2.953352
  C      -4.359176      0.285493      3.027303
  O      -4.118886      1.140308      3.895046
  C      -5.321034      0.591439      1.913268
  N      -6.499839     -0.000704      1.987940
  C      -7.377233      0.303725      0.988366
  N      -7.167107      1.093315     -0.045646
  C      -5.946752      1.698534     -0.124288
  C      -5.656727      2.562013     -1.207918
  C      -4.423994      3.174351     -1.284788
  C      -3.435172      2.952978     -0.294239
  C      -3.686934      2.122985      0.776734
  C      -4.948149      1.486379      0.879295
  C      -4.179068     -0.025099      6.987188
  C      -4.968304      0.558550      8.163985
  O      -5.734706      1.717574      7.757244
  C      -6.908231      1.456008      7.135228
  O      -7.348087      0.334035      6.957185
  C      -7.581636      2.729054      6.687691
  N      -7.279402      3.822306      7.373066
  C      -7.879792      4.975548      6.985991
  N      -8.725220      5.140552      5.988121
  C      -9.043455      4.026253      5.268972
  C      -9.935264      4.156494      4.175728
  C     -10.265447      3.053058      3.419538
  C      -9.712183      1.785863      3.721990
  C      -8.841476      1.623519      4.780345
  C      -8.489943      2.738845      5.586039
  H      -2.787428      3.696450      8.276398
  H      -4.100293      3.026741      7.264068
  H      -3.080334      5.915037      7.034854
  H      -4.528940      5.351012      7.944136
  H      -7.348981      2.986022      2.924093
  H      -6.586024      5.727275     -0.660196
  H      -5.071889      7.670335     -1.107661
  H      -3.543850      8.494382      0.675479
  H      -3.477961      7.393607      2.888354
  H      -1.292906     -1.723935      5.054685
  H      -1.194689     -1.695650      3.284265
  H      -3.667236     -1.127554      5.011586
  H      -3.336258     -2.576770      4.018353
  H      -8.358583     -0.171553      1.064391
  H      -6.428721      2.721450     -1.961214
  H      -4.198866      3.840058     -2.119008
  H      -2.467259      3.447924     -0.388912
  H      -2.929438      1.953117      1.544960
  H      -4.863668     -0.043836      6.127291
  H      -3.957788     -1.080284      7.247306
  H      -5.652058     -0.199601      8.568020
  H      -4.310690      0.925704      8.961957
  H      -7.624153      5.862860      7.572717
  H     -10.335833      5.147385      3.959508
  H     -10.948601      3.154231      2.574932
  H      -9.977720      0.924316      3.107580
  H      -8.422781      0.645635      5.006301
  N      -1.817925      2.896874      3.675628
  N      -1.597504      4.006092      3.059167
  H      -1.977080      4.886759      3.446251
  H      -1.311445      3.992764      2.077823
99
Coordinates from ORCA-job orca E -6706.993908759197
  N      -2.337294      3.416600      6.201872
  Mo     -2.350284      1.747217      5.005527
  N      -2.942341      0.651194      6.622555
  C      -1.855214      0.339803      7.554287
  C      -0.739815      1.374067      7.488961
  N      -0.413090      1.741125      6.074277
  C       0.097319      3.138622      5.987624
  C      -1.051201      4.103377      6.337179
  C       0.531031      0.763563      5.449597
  C       0.052113      0.492292      4.022707
  N      -1.370624      0.207348      4.102776
  H      -0.988790      4.999698      5.698454
  H      -0.936087      4.458822      7.376471
  H       0.443963      3.286918      4.957649
  H       0.959806      3.267254      6.663030
  H       0.620420     -0.341688      3.577950
  H       0.211040      1.388086      3.398725
  H       0.486307     -0.166102      6.033817
  H       1.560631      1.150617      5.497723
  H      -2.201075      0.295959      8.603491
  H      -1.460852     -0.672542      7.324593
  H      -1.066784      2.287895      7.995195
  H       0.169124      1.009646      7.993952
  C      -3.257943      3.730110      7.271239
  C      -3.852457      5.134648      7.101732
  O      -4.693609      5.152321      5.922454
  C      -4.136185      5.490771      4.759247
  O      -3.027255      6.002238      4.626984
  C      -5.054768      5.175855      3.603400
  N      -5.887145      4.160640      3.789931
  C      -6.688526      3.820376      2.751020
  N      -6.738824      4.391050      1.562499
  C      -5.894744      5.440284      1.353716
  C      -5.918851      6.091749      0.095625
  C      -5.083404      7.160154     -0.143115
  C      -4.201933      7.622426      0.864695
  C      -4.154269      7.012263      2.100559
  C      -4.992277      5.898599      2.374376
  C      -1.679622     -1.206605      4.151221
  C      -3.162480     -1.499394      4.118067
  O      -3.854344     -0.923450      2.950683
  C      -4.357099      0.288249      3.027167
  O      -4.119352      1.140351      3.898053
  C      -5.314260      0.598579      1.910129
  N      -6.497157      0.014413      1.983099
  C      -7.370649      0.324851      0.981684
  N      -7.153678      1.113560     -0.051493
  C      -5.929352      1.711231     -0.127566
  C      -5.632451      2.576005     -1.208266
  C      -4.397854      3.185606     -1.278437
  C      -3.412995      2.958141     -0.285432
  C      -3.670323      2.124073      0.781036
  C      -4.933998      1.491461      0.877450
  C      -4.178182     -0.025059      6.985472
  C      -4.968428      0.558871      8.161489
  O      -5.733452      1.718403      7.753748
  C      -6.907326      1.457854      7.132093
  O      -7.347389      0.336081      6.953031
  C      -7.580914      2.731689      6.686785
  N      -7.275842      3.824386      7.371777
  C      -7.876820      4.978200      6.987520
  N      -8.726022      5.144244      5.993031
  C      -9.047880      4.030415      5.274740
  C      -9.944882      4.161634      4.185897
  C     -10.279751      3.058607      3.431188
  C      -9.726077      1.790941      3.730805
  C      -8.850026      1.627727      4.784617
  C      -8.493712      2.742555      5.588825
  H      -2.781398      3.704592      8.275772
  H      -4.093143      3.023606      7.268886
  H      -3.083882      5.914509      7.022777
  H      -4.530276      5.350240      7.936639
  H      -7.359167      2.975501      2.928229
  H      -6.617917      5.722946     -0.655319
  H      -5.103739      7.664048     -1.110786
  H      -3.558915      8.480231      0.661851
  H      -3.479479      7.375995      2.872336
  H      -1.295439     -1.724826      5.058123
  H      -1.192858     -1.698540      3.288103
  H      -3.669806     -1.128072      5.009179
  H      -3.337705     -2.576016      4.014132
  H      -8.355117     -0.144133      1.056022
  H      -6.401782      2.741281     -1.962986
  H      -4.168603      3.855535     -2.108128
  H      -2.443507      3.450961     -0.375140
  H      -2.915983      1.948829      1.551105
  H      -4.861825     -0.042514      6.124825
  H      -3.958607     -1.080691      7.245432
  H      -5.652811     -0.199254      8.564456
  H      -4.312020      0.925619      8.960623
  H      -7.618711      5.864959      7.573949
  H     -10.345994      5.152801      3.971983
  H     -10.967237      3.160443      2.590181
  H      -9.995098      0.929735      3.117397
  H      -8.430937      0.649469      5.008178
  N      -1.811618      2.894450      3.675927
  N      -1.587466      4.002371      3.058494
  H      -1.971059      4.883003      3.441438
  H      -1.296406      3.987347      2.078500
99
Coordinates from ORCA-job orca E -6706.993912721648
  N      -2.334866      3.416304      6.202314
  Mo     -2.350119      1.747184      5.005993
  N      -2.941796      0.650704      6.623000
  C      -1.855464      0.339374      7.555462
  C      -0.739222      1.372618      7.489573
  N      -0.412630      1.739063      6.074762
  C       0.099286      3.135981      5.987764
  C      -1.048300      4.102226      6.336598
  C       0.530487      0.760662      5.449885
  C       0.050908      0.489720      4.023094
  N      -1.372065      0.206095      4.103330
  H      -0.984936      4.997697      5.696788
  H      -0.932835      4.458788      7.375468
  H       0.446059      3.283633      4.957755
  H       0.961883      3.263854      6.663168
  H       0.618404     -0.344652      3.578034
  H       0.210674      1.385517      3.399337
  H       0.485705     -0.168861      6.034340
  H       1.560388      1.147006      5.497525
  H      -2.202005      0.297230      8.604538
  H      -1.461776     -0.673615      7.327526
  H      -1.065017      2.286874      7.995775
  H       0.169656      1.007535      7.994208
  C      -3.255070      3.730907      7.271761
  C      -3.851572      5.134376      7.099153
  O      -4.693215      5.148418      5.920090
  C      -4.137081      5.486738      4.756169
  O      -3.028607      5.998737      4.622406
  C      -5.057079      5.170575      3.601875
  N      -5.888348      4.154922      3.790456
  C      -6.692458      3.814370      2.753832
  N      -6.747726      4.386411      1.566197
  C      -5.905083      5.436413      1.355492
  C      -5.935035      6.089635      0.098451
  C      -5.100356      7.158083     -0.142861
  C      -4.213393      7.618139      0.861143
  C      -4.160160      7.006374      2.095971
  C      -4.997990      5.893307      2.372738
  C      -1.682177     -1.207584      4.152975
  C      -3.165331     -1.498931      4.118406
  O      -3.855134     -0.921580      2.950408
  C      -4.357473      0.290203      3.027196
  O      -4.120948      1.141256      3.899474
  C      -5.311499      0.602766      1.907905
  N      -6.496027      0.021499      1.978604
  C      -7.367172      0.334760      0.975998
  N      -7.146637      1.123387     -0.056430
  C      -5.920591      1.717773     -0.130412
  C      -5.619994      2.582784     -1.209906
  C      -4.384583      3.191147     -1.276572
  C      -3.402187      2.961402     -0.281654
  C      -3.662531      2.125796      0.782889
  C      -4.927281      1.494816      0.875975
  C      -4.178458     -0.023845      6.986317
  C      -4.968262      0.560952      8.162238
  O      -5.733038      1.720324      7.753801
  C      -6.907054      1.459543      7.132566
  O      -7.347066      0.337659      6.953968
  C      -7.580409      2.733188      6.686597
  N      -7.273606      3.826505      7.369763
  C      -7.873406      4.980441      6.984197
  N      -8.723294      5.145975      5.990163
  C      -9.047158      4.031388      5.273909
  C      -9.945026      4.161963      4.185706
  C     -10.282101      3.058105      3.433169
  C      -9.729866      1.790208      3.734444
  C      -8.852785      1.627679      4.787508
  C      -8.494251      2.743375      5.589520
  H      -2.777771      3.708670      8.275999
  H      -4.089255      3.023271      7.271677
  H      -3.084095      5.915043      7.017373
  H      -4.529495      5.351207      7.933685
  H      -7.361365      2.968459      2.932517
  H      -6.637916      5.722157     -0.649614
  H      -5.125481      7.663569     -1.109581
  H      -3.570516      8.475568      0.656236
  H      -3.481072      7.368390      2.864834
  H      -1.299289     -1.725188      5.060743
  H      -1.194956     -1.700853      3.290888
  H      -3.673337     -1.127528      5.009057
  H      -3.341591     -2.575285      4.013579
  H      -8.352870     -0.131919      1.048484
  H      -6.387630      2.750158     -1.965901
  H      -4.152994      3.862703     -2.104285
  H      -2.431911      3.453159     -0.368784
  H      -2.909822      1.947873      1.553962
  H      -4.862168     -0.040755      6.125758
  H      -3.960148     -1.079674      7.246580
  H      -5.652629     -0.196961      8.565636
  H      -4.311830      0.928007      8.961224
  H      -7.613594      5.867809      7.568985
  H     -10.345188      5.153257      3.970607
  H     -10.970453      3.159386      2.592814
  H     -10.000432      0.928367      3.122600
  H      -8.434609      0.649292      5.012174
  N      -1.808862      2.893438      3.676704
  N      -1.581687      4.001095      3.059785
  H      -1.966692      4.881644      3.441452
  H      -1.288959      3.985648      2.080344
99
Coordinates from ORCA-job orca E -6706.993917431530
  N      -2.332169      3.415657      6.202149
  Mo     -2.348636      1.746636      5.006077
  N      -2.941131      0.649634      6.622613
  C      -1.856156      0.338737      7.556695
  C      -0.739060      1.371055      7.490824
  N      -0.411631      1.736727      6.076051
  C       0.101787      3.133102      5.988949
  C      -1.045171      4.100863      6.336017
  C       0.530908      0.757356      5.451706
  C       0.051488      0.486184      4.024855
  N      -1.371769      0.203931      4.104388
  H      -0.980644      4.995237      5.694782
  H      -0.930074      4.458936      7.374400
  H       0.449499      3.279972      4.959153
  H       0.963951      3.260375      6.664990
  H       0.618428     -0.348738      3.580128
  H       0.212452      1.381747      3.401106
  H       0.486029     -0.171753      6.036788
  H       1.560983      1.143272      5.499082
  H      -2.204097      0.298449      8.605391
  H      -1.462949     -0.674903      7.330874
  H      -1.064177      2.285780      7.996660
  H       0.169456      1.005475      7.995754
  C      -3.252352      3.731406      7.271335
  C      -3.850975      5.133760      7.095403
  O      -4.692957      5.143940      5.916512
  C      -4.138065      5.481877      4.751870
  O      -3.030038      5.994409      4.616638
  C      -5.059317      5.164130      3.599011
  N      -5.889029      4.147690      3.789853
  C      -6.695855      3.806428      2.755598
  N      -6.756528      4.379696      1.568853
  C      -5.915753      5.430785      1.355975
  C      -5.952043      6.085804      0.100070
  C      -5.118414      7.154464     -0.144025
  C      -4.225854      7.612586      0.855894
  C      -4.166765      6.999412      2.089762
  C      -5.004127      5.886783      2.369651
  C      -1.683070     -1.209415      4.155823
  C      -3.166551     -1.499378      4.118627
  O      -3.853424     -0.921061      2.949284
  C      -4.355242      0.290860      3.025903
  O      -4.120377      1.140943      3.899538
  C      -5.306687      0.605469      1.904884
  N      -6.492040      0.025547      1.973104
  C      -7.361670      0.341569      0.970052
  N      -7.139017      1.131610     -0.060804
  C      -5.912101      1.724476     -0.132426
  C      -5.609548      2.591607     -1.209669
  C      -4.374292      3.200747     -1.272492
  C      -3.393640      2.968834     -0.276407
  C      -3.655325      2.129979      0.785251
  C      -4.920157      1.498652      0.874707
  C      -4.178825     -0.023005      6.985886
  C      -4.968521      0.562790      8.161434
  O      -5.732763      1.722297      7.752544
  C      -6.907184      1.461793      7.131914
  O      -7.347321      0.339960      6.953224
  C      -7.580354      2.735623      6.686345
  N      -7.271939      3.828984      7.368691
  C      -7.870920      4.983270      6.983088
  N      -8.721844      5.149080      5.989962
  C      -9.047755      4.034358      5.274828
  C      -9.946976      4.165118      4.187780
  C     -10.286228      3.061106      3.436433
  C      -9.734912      1.792833      3.737799
  C      -8.856384      1.630151      4.789641
  C      -8.495632      2.745999      5.590473
  H      -2.774604      3.712661      8.275385
  H      -4.085457      3.022499      7.273308
  H      -3.084508      5.915121      7.010942
  H      -4.529080      5.351877      7.929466
  H      -7.362269      2.958868      2.935712
  H      -6.658684      5.719393     -0.644992
  H      -5.148579      7.661459     -1.109804
  H      -3.583267      8.469667      0.648636
  H      -3.483350      7.359990      2.855478
  H      -1.302340     -1.725778      5.065159
  H      -1.194680     -1.704548      3.295478
  H      -3.675915     -1.127578      5.008361
  H      -3.343798     -2.575493      4.013171
  H      -8.348163     -0.123709      1.040810
  H      -6.375990      2.760793     -1.966470
  H      -4.141620      3.875269     -2.097457
  H      -2.423428      3.461237     -0.360626
  H      -2.903750      1.949611      1.556858
  H      -4.862201     -0.039347      6.125078
  H      -3.961967     -1.079023      7.246651
  H      -5.653176     -0.194828      8.564915
  H      -4.312202      0.929819      8.960541
  H      -7.609402      5.870726      7.566993
  H     -10.346455      5.156673      3.972609
  H     -10.975754      3.162518      2.597056
  H     -10.006999      0.930908      3.126742
  H      -8.438725      0.651536      5.014248
  N      -1.804383      2.891529      3.677072
  N      -1.573357      3.999130      3.061224
  H      -1.960853      4.879350      3.441087
  H      -1.278303      3.983274      2.082488
99
Coordinates from ORCA-job orca E -6706.993919505908
  N      -2.330438      3.415411      6.202279
  Mo     -2.348492      1.746567      5.006065
  N      -2.941150      0.649563      6.622744
  C      -1.856580      0.338417      7.557171
  C      -0.738672      1.369716      7.490856
  N      -0.411288      1.734985      6.076008
  C       0.103229      3.130958      5.988847
  C      -1.042890      4.099684      6.335925
  C       0.530415      0.754870      5.451484
  C       0.050236      0.483446      4.024931
  N      -1.373247      0.202488      4.104683
  H      -0.977707      4.993835      5.694439
  H      -0.927527      4.457924      7.374210
  H       0.450861      3.277557      4.958989
  H       0.965606      3.257571      6.664725
  H       0.616372     -0.352064      3.580269
  H       0.211860      1.378699      3.400917
  H       0.485822     -0.173855      6.037180
  H       1.560629      1.140525      5.497856
  H      -2.204760      0.299102      8.605817
  H      -1.464195     -0.675703      7.332067
  H      -1.062792      2.284783      7.996727
  H       0.169696      1.003408      7.995524
  C      -3.250296      3.732244      7.271431
  C      -3.848740      5.134575      7.094244
  O      -4.691169      5.143646      5.915699
  C      -4.137131      5.480570      4.750388
  O      -3.029127      5.992761      4.613720
  C      -5.059630      5.161736      3.598792
  N      -5.888144      4.144654      3.791416
  C      -6.696663      3.802538      2.758743
  N      -6.761009      4.376347      1.572499
  C      -5.921633      5.428243      1.357903
  C      -5.961817      6.083943      0.102506
  C      -5.129012      7.152818     -0.143537
  C      -4.233248      7.610333      0.853789
  C      -4.170504      6.996657      2.087241
  C      -5.007297      5.884157      2.369189
  C      -1.685758     -1.210527      4.157722
  C      -3.169535     -1.499148      4.119147
  O      -3.854540     -0.920414      2.948974
  C      -4.355212      0.291970      3.025022
  O      -4.120955      1.141567      3.899345
  C      -5.304653      0.607855      1.902591
  N      -6.490278      0.028232      1.968719
  C      -7.358661      0.345378      0.964991
  N      -7.134457      1.135945     -0.065105
  C      -5.907277      1.728437     -0.134733
  C      -5.603291      2.596195     -1.211055
  C      -4.368224      3.205898     -1.271562
  C      -3.389024      2.973568     -0.274139
  C      -3.651835      2.133522      0.786330
  C      -4.916601      1.501781      0.873516
  C      -4.179398     -0.021603      6.986822
  C      -4.968264      0.565403      8.162354
  O      -5.732729      1.724555      7.752999
  C      -6.907424      1.463398      7.133084
  O      -7.347514      0.341353      6.955642
  C      -7.580730      2.736750      6.686512
  N      -7.271819      3.830877      7.367402
  C      -7.870269      4.984907      6.980266
  N      -8.721151      5.149779      5.986938
  C      -9.047713      4.034219      5.273407
  C      -9.946829      4.163910      4.186148
  C     -10.286623      3.059033      3.436323
  C      -9.736071      1.790865      3.739517
  C      -8.857632      1.629212      4.791594
  C      -8.496248      2.746007      5.590842
  H      -2.772234      3.714531      8.275326
  H      -4.083483      3.023446      7.274275
  H      -3.082018      5.915565      7.008601
  H      -4.526558      5.353774      7.928255
  H      -7.361587      2.954056      2.940058
  H      -6.670597      5.717800     -0.640671
  H      -5.162228      7.660412     -1.108900
  H      -3.591061      8.467308      0.644840
  H      -3.484653      7.356805      2.850994
  H      -1.306508     -1.725930      5.068190
  H      -1.196897     -1.707222      3.298553
  H      -3.679326     -1.126535      5.008279
  H      -3.347804     -2.575094      4.013800
  H      -8.345427     -0.119527      1.034193
  H      -6.368706      2.765625     -1.968843
  H      -4.134680      3.881426     -2.095459
  H      -2.418919      3.466499     -0.356476
  H      -2.901237      1.952389      1.558702
  H      -4.863011     -0.037789      6.126199
  H      -3.963488     -1.077684      7.248156
  H      -5.652703     -0.191871      8.566855
  H      -4.311459      0.933045      8.960782
  H      -7.608198      5.873030      7.562913
  H     -10.345737      5.155386      3.969557
  H     -10.976077      3.159642      2.596789
  H     -10.008507      0.928247      3.129584
  H      -8.440440      0.650713      5.017584
  N      -1.802275      2.890885      3.677683
  N      -1.568304      3.998725      3.063153
  H      -1.957116      4.878668      3.442330
  H      -1.272327      3.982943      2.084715
99
Coordinates from ORCA-job orca E -6706.993923007039
  N      -2.328215      3.414994      6.202097
  Mo     -2.347943      1.746413      5.005626
  N      -2.941400      0.649244      6.622289
  C      -1.857492      0.337669      7.557378
  C      -0.738508      1.367685      7.490842
  N      -0.410788      1.732537      6.075997
  C       0.105212      3.128007      5.989098
  C      -1.039918      4.098026      6.335837
  C       0.530001      0.751444      5.451440
  C       0.048908      0.479170      4.025344
  N      -1.374896      0.200053      4.105194
  H      -0.973793      4.991844      5.693957
  H      -0.924503      4.456547      7.374022
  H       0.453173      3.274392      4.959335
  H       0.967598      3.253638      6.665116
  H       0.613999     -0.357302      3.581135
  H       0.211545      1.373777      3.400699
  H       0.486142     -0.176546      6.038324
  H       1.560280      1.137103      5.496181
  H      -2.206190      0.299395      8.605871
  H      -1.466148     -0.677031      7.333028
  H      -1.061506      2.283159      7.996728
  H       0.169543      1.000417      7.995387
  C      -3.247921      3.733342      7.270929
  C      -3.845831      5.135773      7.092218
  O      -4.688970      5.143570      5.914237
  C      -4.136082      5.478612      4.747913
  O      -3.028147      5.990406      4.609171
  C      -5.060154      5.157809      3.598038
  N      -5.886655      4.139564      3.793169
  C      -6.697286      3.795930      2.762582
  N      -6.766720      4.370272      1.576952
  C      -5.929565      5.423498      1.359928
  C      -5.975031      6.079997      0.105191
  C      -5.143570      7.149344     -0.143457
  C      -4.243767      7.606452      0.850405
  C      -4.176155      6.992305      2.083399
  C      -5.011930      5.879808      2.368048
  C      -1.689090     -1.212457      4.161383
  C      -3.173287     -1.499158      4.120171
  O      -3.855105     -0.920407      2.948233
  C      -4.353914      0.292786      3.022748
  O      -4.120645      1.141942      3.897762
  C      -5.300762      0.610028      1.898498
  N      -6.486015      0.029278      1.961304
  C      -7.353120      0.347683      0.956931
  N      -7.127738      1.140132     -0.071469
  C      -5.900966      1.733780     -0.137780
  C      -5.596185      2.603860     -1.211997
  C      -4.362100      3.215880     -1.268856
  C      -3.384535      2.983124     -0.269946
  C      -3.647878      2.140277      0.788193
  C      -4.911795      1.506449      0.871843
  C      -4.180536     -0.019700      6.987427
  C      -4.967954      0.569113      8.163094
  O      -5.732679      1.727959      7.753464
  C      -6.908045      1.466150      7.134935
  O      -7.348305      0.343914      6.959173
  C      -7.581514      2.738985      6.687327
  N      -7.272089      3.833946      7.366641
  C      -7.870067      4.987660      6.977853
  N      -8.720871      5.151478      5.984283
  C      -9.048088      4.035008      5.272489
  C      -9.946964      4.163510      4.184896
  C     -10.287098      3.057726      3.436580
  C      -9.737308      1.789697      3.741738
  C      -8.859182      1.629167      4.794249
  C      -8.497302      2.746978      5.591886
  H      -2.769708      3.716641      8.274746
  H      -4.081400      3.024885      7.274532
  H      -3.078596      5.916106      7.005181
  H      -4.523116      5.356473      7.926259
  H      -7.359785      2.945903      2.945495
  H      -6.686401      5.713951     -0.635571
  H      -5.180819      7.657570     -1.108343
  H      -3.602303      8.463389      0.639090
  H      -3.487271      7.352153      2.844588
  H      -1.312544     -1.725815      5.074081
  H      -1.198986     -1.711971      3.304574
  H      -3.684090     -1.124916      5.008035
  H      -3.352961     -2.574925      4.015505
  H      -8.339799     -0.117714      1.023746
  H      -6.360438      2.773355     -1.970943
  H      -4.128237      3.893707     -2.090751
  H      -2.415210      3.478083     -0.349238
  H      -2.898404      1.958453      1.561485
  H      -4.864509     -0.035453      6.127074
  H      -3.966155     -1.075938      7.249420
  H      -5.652115     -0.187546      8.569225
  H      -4.310139      0.937483      8.960354
  H      -7.607478      5.876500      7.559168
  H     -10.345251      5.154888      3.966717
  H     -10.976283      3.157487      2.596720
  H     -10.009908      0.926345      3.132911
  H      -8.442472      0.650818      5.021790
  N      -1.798372      2.889480      3.678214
  N      -1.558248      3.997457      3.065777
  H      -1.949632      4.877177      3.442862
  H      -1.260265      3.981170      2.087965
99
Coordinates from ORCA-job orca E -6706.993924417610
  N      -2.328062      3.414971      6.202367
  Mo     -2.348237      1.746656      5.005479
  N      -2.941732      0.649738      6.622434
  C      -1.857627      0.337850      7.557231
  C      -0.738365      1.367515      7.490376
  N      -0.410849      1.732308      6.075459
  C       0.105274      3.127744      5.988619
  C      -1.039618      4.097766      6.336047
  C       0.529614      0.751041      5.450669
  C       0.047947      0.478442      4.024837
  N      -1.375939      0.199789      4.105045
  H      -0.973601      4.991850      5.694518
  H      -0.923854      4.455832      7.374348
  H       0.452974      3.274331      4.958800
  H       0.967884      3.253169      6.664392
  H       0.612675     -0.358329      3.580717
  H       0.210661      1.372806      3.399867
  H       0.486110     -0.176735      6.037906
  H       1.559882      1.136799      5.494614
  H      -2.205985      0.299570      8.605828
  H      -1.466677     -0.676955      7.332619
  H      -1.060949      2.283098      7.996335
  H       0.169672      0.999953      7.994731
  C      -3.247644      3.733646      7.271148
  C      -3.844619      5.136463      7.092760
  O      -4.687837      5.144908      5.914902
  C      -4.134917      5.478973      4.748317
  O      -3.026761      5.990169      4.609129
  C      -5.059364      5.157874      3.598785
  N      -5.885686      4.139553      3.794439
  C      -6.696472      3.795453      2.764103
  N      -6.766202      4.369346      1.578292
  C      -5.929327      5.422714      1.360759
  C      -5.975085      6.078790      0.105829
  C      -5.143942      7.148297     -0.143219
  C      -4.244244      7.606070      0.850426
  C      -4.176347      6.992342      2.083623
  C      -5.011687      5.879605      2.368596
  C      -1.690622     -1.212581      4.161967
  C      -3.174939     -1.498792      4.120015
  O      -3.856071     -0.919930      2.947830
  C      -4.354187      0.293578      3.022123
  O      -4.120883      1.142433      3.897467
  C      -5.300375      0.611210      1.897396
  N      -6.485473      0.030053      1.959676
  C      -7.352206      0.347911      0.954828
  N      -7.126510      1.139982     -0.073776
  C      -5.899984      1.734171     -0.139500
  C      -5.594986      2.603773     -1.214018
  C      -4.361185      3.216324     -1.270540
  C      -3.384118      2.984627     -0.270866
  C      -3.647662      2.142162      0.787574
  C      -4.911287      1.507728      0.870824
  C      -4.180844     -0.019074      6.987890
  C      -4.967752      0.570049      8.163763
  O      -5.732785      1.728736      7.754204
  C      -6.908293      1.466534      7.136075
  O      -7.348547      0.344185      6.961085
  C      -7.582047      2.739063      6.688061
  N      -7.272927      3.834347      7.367000
  C      -7.871242      4.987770      6.977792
  N      -8.721934      5.151021      5.984043
  C      -9.048786      4.034228      5.272595
  C      -9.947476      4.162139      4.184774
  C     -10.287242      3.056010      3.436807
  C      -9.737303      1.788193      3.742572
  C      -8.859389      1.628225      4.795347
  C      -8.497806      2.746425      5.592579
  H      -2.769442      3.716361      8.274963
  H      -4.081574      3.025701      7.274519
  H      -3.076832      5.916303      7.006035
  H      -4.521655      5.357385      7.926943
  H      -7.358821      2.945388      2.947423
  H      -6.686383      5.712302     -0.634782
  H      -5.181377      7.656182     -1.108275
  H      -3.603120      8.463180      0.638766
  H      -3.487610      7.352751      2.844672
  H      -1.314967     -1.725448      5.075297
  H      -1.200094     -1.712808      3.305828
  H      -3.685874     -1.124153      5.007627
  H      -3.355007     -2.574502      4.015524
  H      -8.338772     -0.117748      1.021289
  H      -6.358907      2.772409     -1.973493
  H      -4.127285      3.893725     -2.092803
  H      -2.415034      3.480105     -0.349741
  H      -2.898628      1.961214      1.561482
  H      -4.865054     -0.034719      6.127711
  H      -3.966588     -1.075337      7.249881
  H      -5.651696     -0.186480      8.570501
  H      -4.309525      0.938738      8.960531
  H      -7.609032      5.876865      7.558889
  H     -10.345887      5.153367      3.966136
  H     -10.976236      3.155337      2.596739
  H     -10.009655      0.924541      3.134060
  H      -8.442622      0.650025      5.023433
  N      -1.798309      2.889803      3.678576
  N      -1.557047      3.997840      3.066609
  H      -1.948694      4.877508      3.443544
  H      -1.259190      3.981554      2.088766
99
Coordinates from ORCA-job orca E -6706.993928136563
  N      -2.328186      3.415053      6.202747
  Mo     -2.349626      1.747292      5.004839
  N      -2.942919      0.651360      6.623033
  C      -1.857743      0.338241      7.556259
  C      -0.737943      1.367146      7.488411
  N      -0.411363      1.731897      6.073200
  C       0.104876      3.127328      5.986491
  C      -1.039331      4.097155      6.336391
  C       0.528217      0.750255      5.447578
  C       0.044309      0.475988      4.022801
  N      -1.379758      0.198645      4.104689
  H      -0.973784      4.992350      5.696348
  H      -0.922407      4.453378      7.375242
  H       0.451514      3.274684      4.956452
  H       0.968298      3.252175      6.661327
  H       0.607853     -0.361884      3.579228
  H       0.207004      1.369299      3.396359
  H       0.486373     -0.176721      6.036157
  H       1.558324      1.136710      5.488593
  H      -2.204546      0.299296      8.605331
  H      -1.467820     -0.676653      7.330151
  H      -1.059489      2.282915      7.994675
  H       0.170217      0.998913      7.992054
  C      -3.247632      3.734985      7.271137
  C      -3.840943      5.139457      7.094125
  O      -4.684594      5.150816      5.916766
  C      -4.131185      5.481373      4.749431
  O      -3.022339      5.990716      4.609006
  C      -5.056452      5.159508      3.600759
  N      -5.882480      4.141127      3.797484
  C      -6.693190      3.795929      2.767371
  N      -6.762848      4.368426      1.580911
  C      -5.926416      5.421992      1.362411
  C      -5.971854      6.076787      0.106839
  C      -5.141340      7.146708     -0.142641
  C      -4.242865      7.606464      0.851199
  C      -4.175260      6.993945      2.085028
  C      -5.009589      5.880531      2.370153
  C      -1.695695     -1.213315      4.164736
  C      -3.180343     -1.498070      4.121113
  O      -3.859777     -0.919675      2.947970
  C      -4.355637      0.294918      3.020762
  O      -4.121633      1.143579      3.896070
  C      -5.300886      0.612572      1.895314
  N      -6.484620      0.028284      1.955930
  C      -7.351106      0.344423      0.950358
  N      -7.126023      1.137091     -0.077962
  C      -5.901140      1.734797     -0.141662
  C      -5.597129      2.605114     -1.215847
  C      -4.364827      3.220742     -1.271097
  C      -3.388428      2.991726     -0.270136
  C      -3.651194      2.148845      0.788182
  C      -4.913217      1.511123      0.870076
  C      -4.181767     -0.017276      6.989672
  C      -4.966865      0.572725      8.166381
  O      -5.733138      1.730692      7.756832
  C      -6.909001      1.467025      7.139932
  O      -7.349340      0.344297      6.967675
  C      -7.583317      2.738425      6.689686
  N      -7.275874      3.834898      7.367458
  C      -7.875140      4.987196      6.976138
  N      -8.724447      5.148320      5.980889
  C      -9.049146      4.030339      5.270335
  C      -9.945903      4.156058      4.180655
  C     -10.283326      3.048664      3.433503
  C      -9.733071      1.781656      3.742072
  C      -8.857219      1.623769      4.796875
  C      -8.497763      2.743416      5.593069
  H      -2.769902      3.715006      8.275168
  H      -4.083429      3.029236      7.273184
  H      -3.071216      5.917537      7.008592
  H      -4.516970      5.361186      7.928903
  H      -7.355580      2.946109      2.951505
  H      -6.682283      5.709053     -0.633985
  H      -5.178319      7.653486     -1.108298
  H      -3.602598      8.464121      0.639134
  H      -3.487636      7.355888      2.846376
  H      -1.322492     -1.724136      5.080201
  H      -1.203926     -1.716168      3.310889
  H      -3.691511     -1.121736      5.007874
  H      -3.361516     -2.573704      4.017955
  H      -8.336597     -0.123639      1.015462
  H      -6.360644      2.771503     -1.976229
  H      -4.132058      3.898230     -2.093587
  H      -2.420655      3.489960     -0.347524
  H      -2.902912      1.970491      1.563404
  H      -4.866916     -0.032495      6.130209
  H      -3.967737     -1.073637      7.251366
  H      -5.649858     -0.183363      8.575508
  H      -4.307096      0.942792      8.961224
  H      -7.615029      5.877233      7.556724
  H     -10.344618      5.146690      3.959895
  H     -10.970615      3.146381      2.591846
  H     -10.003719      0.916905      3.134361
  H      -8.440458      0.646128      5.027404
  N      -1.798027      2.890106      3.679335
  N      -1.550834      3.997790      3.068558
  H      -1.943334      4.877886      3.443714
  H      -1.252343      3.980519      2.090886
99
Coordinates from ORCA-job orca E -6706.993928618466
  N      -2.328490      3.414811      6.202981
  Mo     -2.348628      1.747138      5.005137
  N      -2.942498      0.650792      6.622602
  C      -1.857884      0.338258      7.556655
  C      -0.738380      1.367690      7.489519
  N      -0.410999      1.732593      6.074518
  C       0.104816      3.128182      5.987998
  C      -1.040127      4.097733      6.336695
  C       0.529333      0.751386      5.449475
  C       0.046806      0.477813      4.024105
  N      -1.377137      0.199576      4.104954
  H      -0.974677      4.992514      5.696047
  H      -0.923856      4.454744      7.375330
  H       0.452258      3.275462      4.958209
  H       0.967620      3.253431      6.663562
  H       0.611165     -0.359440      3.580401
  H       0.209482      1.371652      3.398367
  H       0.486781     -0.176005      6.037391
  H       1.559431      1.137744      5.492025
  H      -2.205500      0.299477      8.605473
  H      -1.467317     -0.676539      7.331221
  H      -1.060652      2.283327      7.995541
  H       0.169630      0.999877      7.993753
  C      -3.248261      3.733769      7.271351
  C      -3.843676      5.137213      7.093861
  O      -4.686876      5.147122      5.916051
  C      -4.133392      5.479194      4.749138
  O      -3.024707      5.989156      4.609611
  C      -5.057996      5.157761      3.599762
  N      -5.884563      4.139611      3.795593
  C      -6.695106      3.795263      2.765107
  N      -6.763914      4.368276      1.578820
  C      -5.926886      5.421512      1.361127
  C      -5.971734      6.076834      0.105783
  C      -5.140822      7.146568     -0.143054
  C      -4.242460      7.605540      0.851252
  C      -4.175388      6.992470      2.084822
  C      -5.010172      5.879215      2.369398
  C      -1.692293     -1.212626      4.163241
  C      -3.176715     -1.498305      4.119275
  O      -3.856566     -0.919182      2.946604
  C      -4.353829      0.294740      3.020657
  O      -4.120556      1.142883      3.896757
  C      -5.299490      0.612588      1.895560
  N      -6.483818      0.029719      1.957624
  C      -7.350596      0.345717      0.952241
  N      -7.125339      1.136974     -0.077065
  C      -5.899784      1.733164     -0.142374
  C      -5.595446      2.601814     -1.217811
  C      -4.362621      3.216212     -1.274363
  C      -3.385966      2.987612     -0.273530
  C      -3.648881      2.145985      0.785792
  C      -4.911399      1.509385      0.868911
  C      -4.181404     -0.018358      6.988018
  C      -4.967532      0.570693      8.164497
  O      -5.732825      1.729461      7.755445
  C      -6.908611      1.467050      7.137947
  O      -7.349136      0.344659      6.963934
  C      -7.582899      2.739320      6.689918
  N      -7.274557      3.834772      7.368948
  C      -7.873982      4.987765      6.979954
  N      -8.724627      5.150448      5.986106
  C      -9.050395      4.033530      5.274362
  C      -9.948847      4.160939      4.186276
  C     -10.287580      3.054668      3.438066
  C      -9.736841      1.787210      3.743865
  C      -8.859198      1.627727      4.796937
  C      -8.498562      2.746113      5.594327
  H      -2.770496      3.715010      8.275372
  H      -4.082996      3.026713      7.273769
  H      -3.075232      5.916546      7.008197
  H      -4.520428      5.358015      7.928296
  H      -7.357868      2.945546      2.948621
  H      -6.682118      5.709672     -0.635356
  H      -5.177470      7.653809     -1.108483
  H      -3.601846      8.463085      0.639801
  H      -3.487821      7.353822      2.846477
  H      -1.318725     -1.724393      5.078046
  H      -1.200213     -1.714183      3.308800
  H      -3.688337     -1.123370      5.006358
  H      -3.357101     -2.573964      4.014831
  H      -8.336616     -0.121042      1.018739
  H      -6.359170      2.768148     -1.977999
  H      -4.129546      3.892624     -2.097721
  H      -2.417748      3.484810     -0.352068
  H      -2.900332      1.967650      1.560748
  H      -4.865996     -0.033360      6.128114
  H      -3.967194     -1.074792      7.249356
  H      -5.651275     -0.185625      8.571936
  H      -4.308582      0.939537      8.960588
  H      -7.612812      5.876970      7.561348
  H     -10.347904      5.151905      3.967643
  H     -10.976307      3.153628      2.597738
  H     -10.008494      0.923387      3.135291
  H      -8.442020      0.649748      5.025217
  N      -1.798246      2.890321      3.679127
  N      -1.554197      3.997968      3.067301
  H      -1.946568      4.877871      3.442995
  H      -1.255987      3.980844      2.089584
99
Coordinates from ORCA-job orca E -6706.993934050432
  N      -2.328516      3.413616      6.202507
  Mo     -2.344859      1.745133      5.006083
  N      -2.940795      0.648981      6.622413
  C      -1.858136      0.338547      7.559278
  C      -0.739369      1.369088      7.493746
  N      -0.409449      1.733267      6.079176
  C       0.105446      3.129140      5.992096
  C      -1.041316      4.098452      6.336340
  C       0.532791      0.752335      5.456829
  C       0.054707      0.479904      4.029796
  N      -1.369091      0.199886      4.107184
  H      -0.975631      4.991495      5.693306
  H      -0.927088      4.458499      7.374097
  H       0.455258      3.275209      4.962910
  H       0.966462      3.256013      6.669665
  H       0.621185     -0.356198      3.586638
  H       0.217932      1.374637      3.405382
  H       0.487209     -0.175752      6.043470
  H       1.563053      1.137778      5.503915
  H      -2.208189      0.300857      8.607341
  H      -1.465982     -0.676163      7.336272
  H      -1.063518      2.284777      7.998442
  H       0.167979      1.002499      8.000061
  C      -3.249522      3.731398      7.270181
  C      -3.850236      5.132132      7.089763
  O      -4.691945      5.137431      5.910691
  C      -4.138611      5.473271      4.744776
  O      -3.030147      5.984243      4.607136
  C      -5.062391      5.153598      3.594204
  N      -5.891165      4.136889      3.788468
  C      -6.703199      3.796260      2.758047
  N      -6.771363      4.371672      1.572819
  C      -5.931703      5.423013      1.356424
  C      -5.976180      6.080630      0.102206
  C      -5.142915      7.148689     -0.145706
  C      -4.242235      7.603421      0.848476
  C      -4.175366      6.987984      2.080844
  C      -5.012788      5.876460      2.364702
  C      -1.683246     -1.212696      4.160381
  C      -3.167266     -1.499945      4.115193
  O      -3.847819     -0.918781      2.943595
  C      -4.348504      0.293451      3.021133
  O      -4.116753      1.140124      3.899181
  C      -5.295951      0.612128      1.897761
  N      -6.481496      0.032229      1.963178
  C      -7.349867      0.349699      0.959530
  N      -7.124998      1.139365     -0.071019
  C      -5.898025      1.732363     -0.139878
  C      -5.593886      2.599407     -1.216644
  C      -4.360259      3.211913     -1.275400
  C      -3.382461      2.982892     -0.275744
  C      -3.644631      2.141588      0.784044
  C      -4.907842      1.506663      0.869175
  C      -4.179780     -0.021755      6.984613
  C      -4.969353      0.564707      8.159981
  O      -5.731995      1.725255      7.751342
  C      -6.907329      1.465827      7.131882
  O      -7.348674      0.344336      6.954150
  C      -7.580665      2.740181      6.688172
  N      -7.268794      3.833634      7.368826
  C      -7.867122      4.988529      6.983987
  N      -8.721026      5.154716      5.993503
  C      -9.050847      4.039850      5.280389
  C      -9.953441      4.170977      4.196171
  C     -10.296870      3.066823      3.446988
  C      -9.746471      1.798005      3.747664
  C      -8.864320      1.635041      4.796434
  C      -8.499367      2.751013      5.595185
  H      -2.771913      3.716945      8.274330
  H      -4.081468      3.021085      7.274121
  H      -3.084762      5.914307      7.003438
  H      -4.529155      5.351412      7.922852
  H      -7.367422      2.947306      2.940359
  H      -6.688301      5.716420     -0.638720
  H      -5.179570      7.657881     -1.110106
  H      -3.599605      8.459704      0.638025
  H      -3.485891      7.346039      2.842301
  H      -1.309324     -1.727315      5.073484
  H      -1.190521     -1.711024      3.304393
  H      -3.679954     -1.128220      5.003051
  H      -3.346189     -2.575547      4.007502
  H      -8.336972     -0.114331      1.029138
  H      -6.358626      2.766946     -1.975539
  H      -4.127330      3.887782     -2.099280
  H      -2.413618      3.478551     -0.356252
  H      -2.895075      1.962084      1.557728
  H      -4.862580     -0.036822      6.123305
  H      -3.964777     -1.078185      7.245508
  H      -5.655226     -0.192298      8.562529
  H      -4.313202      0.930523      8.959780
  H      -7.602110      5.876135      7.566111
  H     -10.352193      5.162934      3.981513
  H     -10.989248      3.168475      2.609995
  H     -10.021793      0.935942      3.138223
  H      -8.447158      0.656080      5.020444
  N      -1.796179      2.888973      3.678877
  N      -1.560894      3.996670      3.064366
  H      -1.953490      4.876029      3.441145
  H      -1.261424      3.980189      2.086988
99
Coordinates from ORCA-job orca E -6706.993937741902
  N      -2.328409      3.413074      6.202436
  Mo     -2.341778      1.744042      5.006762
  N      -2.939911      0.647930      6.622106
  C      -1.858653      0.338835      7.561074
  C      -0.740356      1.370145      7.497152
  N      -0.408219      1.733850      6.083007
  C       0.106112      3.129892      5.995683
  C      -1.041912      4.099121      6.336493
  C       0.535378      0.752921      5.462830
  C       0.060660      0.481107      4.034591
  N      -1.363080      0.200076      4.109245
  H      -0.975969      4.990818      5.691611
  H      -0.929258      4.461486      7.373625
  H       0.457863      3.275091      4.967036
  H       0.965703      3.257858      6.674861
  H       0.628595     -0.354343      3.592084
  H       0.224487      1.376302      3.410968
  H       0.487382     -0.175504      6.048739
  H       1.565778      1.137606      5.513143
  H      -2.210545      0.301482      8.608540
  H      -1.465360     -0.675700      7.339354
  H      -1.065868      2.285854      8.000937
  H       0.166316      1.004225      8.005162
  C      -3.250269      3.730192      7.269639
  C      -3.854526      5.129264      7.087474
  O      -4.695074      5.131768      5.907534
  C      -4.141566      5.469960      4.742465
  O      -3.033376      5.981919      4.606224
  C      -5.064333      5.151184      3.590910
  N      -5.893706      4.134792      3.783909
  C      -6.706126      3.796053      2.753198
  N      -6.774204      4.373190      1.568786
  C      -5.933423      5.423825      1.353463
  C      -5.977463      6.082860      0.099975
  C      -5.142991      7.150189     -0.147033
  C      -4.241335      7.602591      0.847327
  C      -4.174767      6.985659      2.078961
  C      -5.013653      5.875007      2.361998
  C      -1.676976     -1.212619      4.158752
  C      -3.160791     -1.500513      4.112185
  O      -3.841513     -0.917971      2.941167
  C      -4.344399      0.293168      3.021140
  O      -4.113257      1.138544      3.900534
  C      -5.293977      0.612189      1.899611
  N      -6.479687      0.032980      1.968038
  C      -7.350174      0.350320      0.966093
  N      -7.126937      1.138817     -0.065693
  C      -5.899659      1.730897     -0.137771
  C      -5.597056      2.596524     -1.216106
  C      -4.363494      3.209030     -1.277344
  C      -3.384275      2.981404     -0.278772
  C      -3.644571      2.140669      0.781908
  C      -4.907483      1.505500      0.869384
  C      -4.178845     -0.024199      6.981962
  C      -4.971001      0.559944      8.156695
  O      -5.732000      1.721786      7.748692
  C      -6.906933      1.464511      7.127547
  O      -7.348659      0.343694      6.946465
  C      -7.579149      2.740374      6.686532
  N      -7.265027      3.832314      7.368541
  C      -7.862363      4.988580      6.986422
  N      -8.718136      5.157327      5.997974
  C      -9.050524      4.044002      5.283633
  C      -9.955502      4.177831      4.201737
  C     -10.301636      3.075285      3.451419
  C      -9.751445      1.805512      3.748442
  C      -8.866798      1.639982      4.794708
  C      -8.499409      2.754144      5.594871
  H      -2.772769      3.718425      8.273871
  H      -4.080353      3.017768      7.274507
  H      -3.090992      5.913325      7.001139
  H      -4.535016      5.347324      7.919636
  H      -7.370890      2.947362      2.934602
  H      -6.690243      5.720267     -0.641129
  H      -5.179455      7.660598     -1.110792
  H      -3.597671      8.458292      0.637647
  H      -3.484360      7.341782      2.840486
  H      -1.303475     -1.729295      5.070903
  H      -1.183527     -1.708911      3.301993
  H      -3.674210     -1.130720      5.000447
  H      -3.338942     -2.576020      4.002442
  H      -8.337596     -0.112686      1.038612
  H      -6.363038      2.763508     -1.973873
  H      -4.131821      3.884093     -2.102223
  H      -2.415650      3.477167     -0.361196
  H      -2.893744      1.961621      1.554485
  H      -4.860382     -0.039285      6.119684
  H      -3.963050     -1.080635      7.242280
  H      -5.658304     -0.197759      8.555479
  H      -4.316884      0.923423      8.959223
  H      -7.594593      5.875028      7.569081
  H     -10.353991      5.170490      3.989845
  H     -10.996066      3.178953      2.616376
  H     -10.028793      0.944812      3.137988
  H      -8.449610      0.660368      5.015744
  N      -1.793879      2.888122      3.678959
  N      -1.564523      3.995581      3.062112
  H      -1.958090      4.874585      3.438648
  H      -1.263265      3.979073      2.085359
99
Coordinates from ORCA-job orca E -6706.993938464099
  N      -2.328594      3.412801      6.202238
  Mo     -2.340918      1.743282      5.007145
  N      -2.939790      0.647269      6.622258
  C      -1.858758      0.338747      7.561754
  C      -0.740783      1.370464      7.498343
  N      -0.407993      1.733876      6.084315
  C       0.106122      3.129962      5.996598
  C      -1.042263      4.099177      6.336244
  C       0.536030      0.752823      5.464957
  C       0.062467      0.481136      4.036308
  N      -1.361248      0.199764      4.110171
  H      -0.976222      4.990358      5.690672
  H      -0.930086      4.462397      7.373119
  H       0.458292      3.274629      4.968016
  H       0.965362      3.258469      6.676126
  H       0.630875     -0.354164      3.594136
  H       0.226455      1.376403      3.412808
  H       0.486902     -0.175711      6.050595
  H       1.566528      1.137082      5.516528
  H      -2.211093      0.301343      8.609067
  H      -1.464952     -0.675626      7.340278
  H      -1.066860      2.286166      8.001784
  H       0.165696      1.004874      8.006933
  C      -3.250633      3.729987      7.269316
  C      -3.855532      5.128776      7.086361
  O      -4.695591      5.130560      5.906109
  C      -4.142021      5.469335      4.741278
  O      -3.033788      5.981281      4.605329
  C      -5.064686      5.150974      3.589549
  N      -5.894179      4.134645      3.782284
  C      -6.707076      3.796696      2.751689
  N      -6.775622      4.374655      1.567704
  C      -5.934498      5.425050      1.352573
  C      -5.978811      6.084760      0.099446
  C      -5.143859      7.151753     -0.147429
  C      -4.241442      7.603125      0.846701
  C      -4.174627      6.985554      2.078002
  C      -5.014055      5.875272      2.360923
  C      -1.675196     -1.212953      4.158072
  C      -3.158977     -1.500929      4.111611
  O      -3.840003     -0.918084      2.940880
  C      -4.343692      0.292694      3.021658
  O      -4.112558      1.137625      3.901394
  C      -5.293892      0.611636      1.900624
  N      -6.479646      0.032557      1.969695
  C      -7.350822      0.350478      0.968550
  N      -7.128239      1.139428     -0.063063
  C      -5.900842      1.731132     -0.135906
  C      -5.598864      2.597265     -1.214028
  C      -4.365258      3.209682     -1.275812
  C      -3.385346      2.981408     -0.278060
  C      -3.644987      2.140119      0.782313
  C      -4.907945      1.505099      0.870385
  C      -4.178544     -0.025306      6.981865
  C      -4.971382      0.558515      8.156261
  O      -5.731675      1.720743      7.748033
  C      -6.906443      1.464022      7.126350
  O      -7.348424      0.343379      6.944785
  C      -7.577967      2.740244      6.685311
  N      -7.263033      3.832063      7.367142
  C      -7.859598      4.988682      6.984968
  N      -8.715702      5.157842      5.996869
  C      -9.049051      4.044642      5.282788
  C      -9.954464      4.178882      4.201304
  C     -10.301530      3.076472      3.451218
  C      -9.751863      1.806423      3.748042
  C      -8.866775      1.640490      4.793873
  C      -8.498489      2.754496      5.593861
  H      -2.773130      3.719018      8.273539
  H      -4.080380      3.017161      7.274597
  H      -3.092298      5.913137      7.000078
  H      -4.536530      5.346781      7.918138
  H      -7.371782      2.947881      2.932747
  H      -6.692117      5.722854     -0.641495
  H      -5.180498      7.662672     -1.110910
  H      -3.597387      8.458559      0.637121
  H      -3.483571      7.340818      2.839335
  H      -1.301468     -1.730676      5.069556
  H      -1.181941     -1.708333      3.300669
  H      -3.672304     -1.131575      5.000117
  H      -3.336962     -2.576418      4.001426
  H      -8.338304     -0.112294      1.041641
  H      -6.365382      2.764797     -1.971132
  H      -4.134162      3.885136     -2.100516
  H      -2.416712      3.477087     -0.360895
  H      -2.893556      1.960410      1.554160
  H      -4.859826     -0.040833      6.119398
  H      -3.962301     -1.081618      7.242354
  H      -5.659276     -0.199196      8.554008
  H      -4.317858      0.921330      8.959565
  H      -7.590846      5.875043      7.567326
  H     -10.352535      5.171740      3.989558
  H     -10.996362      3.180447      2.616549
  H     -10.029944      0.945860      3.137734
  H      -8.449917      0.660702      5.014737
  N      -1.793471      2.887387      3.679030
  N      -1.566595      3.994724      3.061142
  H      -1.959566      4.873769      3.438187
  H      -1.265275      3.978246      2.084396
99
Coordinates from ORCA-job orca E -6706.993938867684
  N      -2.328808      3.412907      6.202453
  Mo     -2.340285      1.743353      5.007270
  N      -2.939941      0.647102      6.622013
  C      -1.859006      0.338826      7.561807
  C      -0.741334      1.370884      7.499112
  N      -0.407867      1.734275      6.085272
  C       0.106135      3.130377      5.997601
  C      -1.042575      4.099594      6.336240
  C       0.536484      0.753197      5.466456
  C       0.063760      0.481716      4.037493
  N      -1.359904      0.200051      4.110760
  H      -0.976620      4.990217      5.689906
  H      -0.930724      4.463712      7.372822
  H       0.458893      3.274841      4.969191
  H       0.964946      3.259088      6.677629
  H       0.632556     -0.353396      3.595475
  H       0.227840      1.377110      3.414191
  H       0.486515     -0.175448      6.051839
  H       1.567050      1.137137      5.518975
  H      -2.211683      0.300945      8.608978
  H      -1.464720     -0.675305      7.340106
  H      -1.067879      2.286515      8.002370
  H       0.164912      1.005430      8.008225
  C      -3.250735      3.729961      7.269696
  C      -3.856103      5.128582      7.086626
  O      -4.695914      5.130198      5.906198
  C      -4.142175      5.469190      4.741566
  O      -3.033941      5.981230      4.605851
  C      -5.064517      5.150938      3.589556
  N      -5.893935      4.134513      3.781974
  C      -6.706735      3.796815      2.751181
  N      -6.775254      4.375129      1.567385
  C      -5.933985      5.425474      1.352507
  C      -5.978018      6.085403      0.099498
  C      -5.142767      7.152248     -0.147083
  C      -4.240362      7.603271      0.847200
  C      -4.173859      6.985506      2.078433
  C      -5.013617      5.875409      2.361036
  C      -1.673880     -1.212657      4.157557
  C      -3.157636     -1.500630      4.111016
  O      -3.838705     -0.917704      2.940364
  C      -4.342942      0.292854      3.021611
  O      -4.111969      1.137320      3.901756
  C      -5.293832      0.611469      1.901068
  N      -6.479501      0.032317      1.971323
  C      -7.351535      0.349771      0.970789
  N      -7.129857      1.138452     -0.061256
  C      -5.902530      1.730132     -0.135325
  C      -5.601425      2.595877     -1.214015
  C      -4.367898      3.208400     -1.276981
  C      -3.387219      2.980613     -0.279897
  C      -3.645979      2.139672      0.780934
  C      -4.908765      1.504495      0.870198
  C      -4.178424     -0.026059      6.981394
  C      -4.971904      0.557215      8.155599
  O      -5.731769      1.719782      7.747478
  C      -6.906389      1.463538      7.125258
  O      -7.348465      0.343051      6.942939
  C      -7.577529      2.740087      6.684588
  N      -7.262273      3.831598      7.366742
  C      -7.858551      4.988497      6.984976
  N      -8.714951      5.158138      5.997229
  C      -9.048672      4.045248      5.282838
  C      -9.954385      4.180016      4.201671
  C     -10.301608      3.077982      3.451107
  C      -9.751813      1.807794      3.747103
  C      -8.866496      1.641342      4.792655
  C      -8.498115      2.754928      5.593190
  H      -2.773050      3.719299      8.273825
  H      -4.080243      3.016859      7.275282
  H      -3.093145      5.913227      7.000565
  H      -4.537404      5.346313      7.918232
  H      -7.371535      2.948036      2.932017
  H      -6.691262      5.723823     -0.641658
  H      -5.179140      7.663317     -1.110496
  H      -3.596095      8.458579      0.637769
  H      -3.482769      7.340413      2.839903
  H      -1.300186     -1.731106      5.068673
  H      -1.180568     -1.707464      3.299852
  H      -3.670923     -1.131405      4.999610
  H      -3.335505     -2.576129      4.000700
  H      -8.338910     -0.113103      1.044769
  H      -6.368561      2.763051     -1.970567
  H      -4.137611      3.883542     -2.102148
  H      -2.418716      3.476412     -0.363567
  H      -2.893886      1.960195      1.552193
  H      -4.859523     -0.042047      6.118790
  H      -3.961601     -1.082247      7.241921
  H      -5.660201     -0.200674      8.552308
  H      -4.318901      0.919390      8.959611
  H      -7.589195      5.874622      7.567409
  H     -10.352491      5.172981      3.990496
  H     -10.996648      3.182380      2.616660
  H     -10.029966      0.947563      3.136358
  H      -8.449493      0.661476      5.012901
  N      -1.793066      2.887511      3.679253
  N      -1.567948      3.994561      3.060214
  H      -1.960863      4.873678      3.437117
  H      -1.266121      3.977715      2.083658
99
Coordinates from ORCA-job orca E -6706.994054839376
  N      -2.315360      3.403215      6.188260
  Mo     -2.323712      1.724242      5.005749
  N      -2.938050      0.644560      6.626324
  C      -1.863530      0.340341      7.574986
  C      -0.742607      1.368940      7.511421
  N      -0.398749      1.718786      6.096719
  C       0.119585      3.112726      5.998906
  C      -1.028130      4.087808      6.323396
  C       0.546741      0.729187      5.493179
  C       0.083074      0.446389      4.063433
  N      -1.342052      0.170315      4.129549
  H      -0.956330      4.973166      5.670444
  H      -0.920857      4.459831      7.357691
  H       0.477329      3.246928      4.970849
  H       0.975600      3.245433      6.681701
  H       0.652013     -0.394697      3.633063
  H       0.254464      1.335371      3.432960
  H       0.489187     -0.194013      6.086407
  H       1.578233      1.110094      5.549541
  H      -2.222456      0.310660      8.620281
  H      -1.470677     -0.676294      7.362482
  H      -1.069812      2.289803      8.004653
  H       0.159058      1.005130      8.029759
  C      -3.239858      3.727643      7.251155
  C      -3.840304      5.127847      7.061985
  O      -4.681149      5.128956      5.882526
  C      -4.129430      5.468842      4.717254
  O      -3.019087      5.975727      4.579596
  C      -5.060311      5.165767      3.568045
  N      -5.883191      4.142294      3.750576
  C      -6.712177      3.826174      2.725807
  N      -6.805346      4.434425      1.558826
  C      -5.970972      5.492313      1.354526
  C      -6.041078      6.184093      0.120044
  C      -5.212134      7.258267     -0.115842
  C      -4.290380      7.685208      0.871269
  C      -4.198571      7.036437      2.084822
  C      -5.031363      5.918155      2.355692
  C      -1.662314     -1.240804      4.181963
  C      -3.146683     -1.523763      4.127667
  O      -3.818926     -0.947305      2.948884
  C      -4.319639      0.265486      3.018255
  O      -4.090503      1.115076      3.893811
  C      -5.271175      0.573726      1.895125
  N      -6.444766     -0.030761      1.955736
  C      -7.320134      0.277369      0.955403
  N      -7.109706      1.075306     -0.071847
  C      -5.894239      1.691810     -0.137239
  C      -5.605054      2.565971     -1.212368
  C      -4.384864      3.205383     -1.266260
  C      -3.406195      2.997415     -0.262721
  C      -3.651889      2.145778      0.792775
  C      -4.900558      1.481826      0.871964
  C      -4.180531     -0.022134      6.984101
  C      -4.976386      0.570462      8.152021
  O      -5.732120      1.732269      7.734113
  C      -6.905994      1.474660      7.110989
  O      -7.353199      0.354329      6.940591
  C      -7.576889      2.750303      6.667314
  N      -7.252916      3.845391      7.339601
  C      -7.846995      5.001909      6.953333
  N      -8.709667      5.167799      5.970384
  C      -9.052250      4.051257      5.266001
  C      -9.964200      4.181926      4.189579
  C     -10.320820      3.075895      3.449366
  C      -9.775100      1.805415      3.751648
  C      -8.883394      1.642981      4.792395
  C      -8.504690      2.760993      5.581942
  H      -2.764925      3.719367      8.256599
  H      -4.071507      3.016968      7.257297
  H      -3.074359      5.909312      6.973233
  H      -4.520217      5.351165      7.893267
  H      -7.368448      2.968662      2.896050
  H      -6.767991      5.839646     -0.616001
  H      -5.268453      7.793828     -1.064883
  H      -3.651610      8.546793      0.670904
  H      -3.493351      7.373482      2.841398
  H      -1.296858     -1.755249      5.098651
  H      -1.165052     -1.742628      3.330653
  H      -3.663981     -1.146517      5.010480
  H      -3.327468     -2.599425      4.024037
  H      -8.298471     -0.205286      1.022782
  H      -6.371598      2.719469     -1.972423
  H      -4.164768      3.887351     -2.088695
  H      -2.448811      3.515628     -0.338188
  H      -2.900510      1.980353      1.567893
  H      -4.858168     -0.040740      6.118823
  H      -3.968530     -1.077612      7.251413
  H      -5.667875     -0.183168      8.551279
  H      -4.324973      0.935976      8.955798
  H      -7.570535      5.891014      7.527882
  H     -10.359752      5.174936      3.973886
  H     -11.021049      3.177074      2.618879
  H     -10.061134      0.941874      3.149309
  H      -8.469619      0.662911      5.017693
  N      -1.762660      2.856419      3.673409
  N      -1.529165      3.958483      3.048566
  H      -1.924692      4.841042      3.414313
  H      -1.213998      3.934141      2.076503
99
Coordinates from ORCA-job orca E -6706.993919411232
  N      -2.293488      3.393407      6.178518
  Mo     -2.298913      1.706522      5.006349
  N      -2.939314      0.647171      6.631251
  C      -1.874448      0.342539      7.591197
  C      -0.747940      1.365063      7.532600
  N      -0.386086      1.699255      6.118656
  C       0.140856      3.089576      6.011713
  C      -1.004256      4.074079      6.316838
  C       0.559960      0.697850      5.535494
  C       0.110309      0.403446      4.103551
  N      -1.317286      0.137916      4.156254
  H      -0.923604      4.951887      5.654767
  H      -0.903505      4.456860      7.347769
  H       0.507352      3.212047      4.985285
  H       0.992168      3.224134      6.699976
  H       0.678521     -0.445669      3.688190
  H       0.294899      1.284660      3.465923
  H       0.489422     -0.218820      6.137416
  H       1.593168      1.072853      5.599432
  H      -2.242704      0.317506      8.633246
  H      -1.484132     -0.676354      7.384661
  H      -1.075153      2.292252      8.013669
  H       0.145246      1.000223      8.064820
  C      -3.226194      3.732604      7.229235
  C      -3.822644      5.130081      7.012901
  O      -4.654759      5.110919      5.827605
  C      -4.093572      5.429672      4.660922
  O      -2.976725      5.921938      4.522391
  C      -5.014623      5.105924      3.509004
  N      -5.807963      4.058210      3.685276
  C      -6.641133      3.736949      2.665108
  N      -6.770845      4.366322      1.513021
  C      -5.966516      5.448498      1.315323
  C      -6.075002      6.162781      0.096630
  C      -5.272661      7.258273     -0.133362
  C      -4.340563      7.684998      0.843961
  C      -4.212391      7.015071      2.042742
  C      -5.017557      5.875303      2.306966
  C      -1.650465     -1.270393      4.204881
  C      -3.135636     -1.542989      4.130387
  O      -3.789410     -0.966413      2.942021
  C      -4.283596      0.249720      3.003172
  O      -4.058875      1.098083      3.880745
  C      -5.241667      0.549633      1.883385
  N      -6.376771     -0.126911      1.907416
  C      -7.267465      0.177501      0.919986
  N      -7.099198      1.029481     -0.071302
  C      -5.922665      1.719794     -0.100069
  C      -5.678577      2.650924     -1.137963
  C      -4.501836      3.369094     -1.151466
  C      -3.523687      3.186937     -0.142448
  C      -3.721217      2.274421      0.871361
  C      -4.923236      1.526056      0.906901
  C      -4.187687     -0.011747      6.982321
  C      -4.987425      0.587885      8.143917
  O      -5.737609      1.750424      7.717931
  C      -6.907301      1.493470      7.086346
  O      -7.359744      0.374097      6.923773
  C      -7.581272      2.770247      6.650001
  N      -7.251131      3.864679      7.320388
  C      -7.844319      5.022686      6.936724
  N      -8.712391      5.190242      5.958960
  C      -9.060094      4.074711      5.255574
  C      -9.974812      4.207894      4.181814
  C     -10.335975      3.103053      3.442143
  C      -9.793891      1.830806      3.743508
  C      -8.899117      1.666067      4.781205
  C      -8.514074      2.783190      5.568915
  H      -2.760842      3.737222      8.239146
  H      -4.059115      3.023167      7.236736
  H      -3.054728      5.908677      6.916446
  H      -4.507529      5.368636      7.835697
  H      -7.266822      2.854856      2.825538
  H      -6.806695      5.816555     -0.633777
  H      -5.358083      7.810939     -1.070398
  H      -3.723720      8.563369      0.648074
  H      -3.501019      7.352773      2.793141
  H      -1.302765     -1.786606      5.127514
  H      -1.143794     -1.777282      3.362157
  H      -3.661162     -1.159498      5.005518
  H      -3.321692     -2.618018      4.028518
  H      -8.215845     -0.364582      0.959021
  H      -6.447742      2.787922     -1.898486
  H      -4.319419      4.096256     -1.943952
  H      -2.603114      3.771598     -0.182369
  H      -2.968475      2.127004      1.648624
  H      -4.859845     -0.030039      6.112630
  H      -3.982951     -1.067628      7.253702
  H      -5.683143     -0.162322      8.542259
  H      -4.338867      0.954347      8.949536
  H      -7.563654      5.910880      7.510499
  H     -10.369038      5.201774      3.967823
  H     -11.038612      3.206199      2.613930
  H     -10.084374      0.968022      3.142204
  H      -8.488485      0.684664      5.006491
  N      -1.713394      2.825916      3.676092
  N      -1.461923      3.922029      3.046914
  H      -1.866979      4.807892      3.393122
  H      -1.117669      3.887994      2.085195
99
Coordinates from ORCA-job orca E -6706.994202520277
  N      -2.292815      3.388500      6.188066
  Mo     -2.314368      1.699973      5.018882
  N      -2.940835      0.647087      6.653349
  C      -1.867606      0.340558      7.603041
  C      -0.738438      1.359025      7.530904
  N      -0.390238      1.689530      6.112556
  C       0.139178      3.078310      5.998766
  C      -1.000575      4.066033      6.314262
  C       0.547182      0.684606      5.521716
  C       0.080984      0.385981      4.095842
  N      -1.346808      0.125278      4.164670
  H      -0.923751      4.943223      5.650944
  H      -0.889301      4.449357      7.343876
  H       0.495722      3.199091      4.968665
  H       0.997697      3.211258      6.678321
  H       0.642010     -0.466639      3.677969
  H       0.261906      1.264023      3.452735
  H       0.482221     -0.229751      6.127745
  H       1.581681      1.058080      5.572346
  H      -2.225157      0.317626      8.648853
  H      -1.482458     -0.679687      7.393407
  H      -1.057322      2.288153      8.013593
  H       0.159040      0.992152      8.054445
  C      -3.218145      3.734299      7.242833
  C      -3.807085      5.134501      7.027555
  O      -4.646095      5.120167      5.846548
  C      -4.089648      5.435612      4.676372
  O      -2.967560      5.913305      4.530117
  C      -5.029343      5.141915      3.531620
  N      -5.819605      4.088938      3.690301
  C      -6.663931      3.793427      2.671251
  N      -6.811443      4.455373      1.539941
  C      -6.010538      5.543328      1.361246
  C      -6.134978      6.290543      0.164049
  C      -5.333188      7.390087     -0.047954
  C      -4.385233      7.787818      0.926464
  C      -4.241316      7.085312      2.104523
  C      -5.046633      5.941592      2.350055
  C      -1.683752     -1.281708      4.225763
  C      -3.170967     -1.550034      4.173141
  O      -3.839297     -0.981690      2.989149
  C      -4.326235      0.237662      3.044390
  O      -4.086687      1.093359      3.911478
  C      -5.296333      0.531885      1.933247
  N      -6.428947     -0.148206      1.973819
  C      -7.332834      0.148754      0.996389
  N      -7.178435      0.994252     -0.002690
  C      -6.002843      1.684878     -0.052145
  C      -5.772254      2.605734     -1.102225
  C      -4.597260      3.325576     -1.136352
  C      -3.608157      3.155885     -0.135973
  C      -3.792424      2.253215      0.889158
  C      -4.992106      1.502747      0.946017
  C      -4.187193     -0.009327      7.015223
  C      -4.979093      0.598207      8.178131
  O      -5.727847      1.759279      7.746822
  C      -6.896598      1.499260      7.115144
  O      -7.339429      0.377716      6.941370
  C      -7.534726      2.767997      6.607638
  N      -7.221030      3.881498      7.254180
  C      -7.778181      5.032459      6.801179
  N      -8.590438      5.176527      5.772932
  C      -8.918947      4.040986      5.092589
  C      -9.771654      4.147802      3.966171
  C     -10.110935      3.021635      3.248671
  C      -9.609653      1.753094      3.626877
  C      -8.777001      1.613440      4.718462
  C      -8.413079      2.753987      5.482207
  H      -2.748153      3.737669      8.250656
  H      -4.055081      3.029795      7.254974
  H      -3.034907      5.908112      6.925552
  H      -4.485377      5.378628      7.854151
  H      -7.285391      2.905617      2.813973
  H      -6.877702      5.965606     -0.565056
  H      -5.430902      7.968102     -0.968350
  H      -3.768278      8.669164      0.744949
  H      -3.517614      7.400574      2.853163
  H      -1.325752     -1.792949      5.147213
  H      -1.189394     -1.795545      3.379961
  H      -3.683614     -1.157981      5.052453
  H      -3.361635     -2.625287      4.082505
  H      -8.281771     -0.390517      1.054166
  H      -6.550341      2.733948     -1.855124
  H      -4.424975      4.045362     -1.937747
  H      -2.690343      3.743652     -0.190678
  H      -3.031007      2.115024      1.658867
  H      -4.864461     -0.029930      6.149471
  H      -3.982798     -1.064510      7.289736
  H      -5.674432     -0.147765      8.585011
  H      -4.325671      0.969297      8.977694
  H      -7.513284      5.937188      7.356266
  H     -10.136158      5.138883      3.694318
  H     -10.765078      3.104449      2.379463
  H      -9.882613      0.872730      3.042942
  H      -8.397047      0.634865      5.002481
  N      -1.736585      2.817265      3.684008
  N      -1.483140      3.914407      3.056997
  H      -1.889365      4.799098      3.404131
  H      -1.140717      3.881500      2.094585
99
Coordinates from ORCA-job orca E -6706.994278110319
  N      -2.309737      3.384388      6.173756
  Mo     -2.305505      1.695792      5.004002
  N      -2.938754      0.635695      6.629709
  C      -1.873191      0.332244      7.588378
  C      -0.750378      1.359134      7.530704
  N      -0.392280      1.699725      6.117092
  C       0.126847      3.092948      6.014138
  C      -1.024175      4.069835      6.319882
  C       0.559918      0.705715      5.531625
  C       0.109659      0.406240      4.100801
  N      -1.316091      0.131933      4.158096
  H      -0.944127      4.951461      5.663146
  H      -0.928977      4.447921      7.353085
  H       0.493586      3.219783      4.988396
  H       0.976664      3.231127      6.703625
  H       0.681689     -0.441051      3.687256
  H       0.288190      1.286686      3.460068
  H       0.497067     -0.211236      6.133823
  H       1.590506      1.088161      5.593838
  H      -2.240130      0.304375      8.630945
  H      -1.479575     -0.684801      7.379774
  H      -1.080737      2.283193      8.015562
  H       0.145583      0.996879      8.059809
  C      -3.247646      3.718880      7.221617
  C      -3.838732      5.120307      7.015362
  O      -4.666296      5.118626      5.826509
  C      -4.107991      5.467237      4.666792
  O      -2.994307      5.967298      4.533949
  C      -5.036528      5.172937      3.515525
  N      -5.800439      4.098353      3.653465
  C      -6.620526      3.789877      2.618989
  N      -6.770132      4.459625      1.492488
  C      -5.993703      5.568467      1.334922
  C      -6.115618      6.321018      0.140729
  C      -5.334712      7.439286     -0.051479
  C      -4.410097      7.850216      0.940111
  C      -4.269662      7.143044      2.115475
  C      -5.055838      5.982265      2.341859
  C      -1.637847     -1.278102      4.225754
  C      -3.122492     -1.561322      4.178351
  O      -3.796334     -1.011723      2.988799
  C      -4.294895      0.203526      3.026645
  O      -4.063043      1.075181      3.880946
  C      -5.254431      0.474553      1.900121
  N      -6.386178     -0.207454      1.943789
  C      -7.276785      0.058104      0.945891
  N      -7.112009      0.877033     -0.073588
  C      -5.933927      1.562420     -0.132168
  C      -5.691786      2.452445     -1.206108
  C      -4.513277      3.165341     -1.252429
  C      -3.532688      3.020133     -0.239743
  C      -3.732058      2.154392      0.813976
  C      -4.936888      1.413474      0.885633
  C      -4.187047     -0.025306      6.975592
  C      -4.985739      0.566439      8.142299
  O      -5.729217      1.737652      7.728506
  C      -6.894474      1.495737      7.083831
  O      -7.335916      0.379476      6.875542
  C      -7.556159      2.782241      6.656317
  N      -7.251732      3.859313      7.366098
  C      -7.842963      5.023926      7.000788
  N      -8.684222      5.214762      6.003848
  C      -9.008101      4.117182      5.261782
  C      -9.899942      4.274927      4.172203
  C     -10.238415      3.188959      3.394965
  C      -9.694987      1.911978      3.673167
  C      -8.824782      1.722649      4.727501
  C      -8.462811      2.819961      5.553379
  H      -2.787410      3.715255      8.233930
  H      -4.082300      3.011722      7.220013
  H      -3.067851      5.897273      6.929738
  H      -4.526645      5.352816      7.837653
  H      -7.223531      2.886713      2.746167
  H      -6.840125      5.984326     -0.601520
  H      -5.430144      8.020923     -0.969749
  H      -3.807253      8.744216      0.773350
  H      -3.560735      7.465513      2.875660
  H      -1.272168     -1.780764      5.148892
  H      -1.140974     -1.791073      3.380962
  H      -3.639212     -1.166677      5.054516
  H      -3.302816     -2.639006      4.096942
  H      -8.227556     -0.477086      1.010293
  H      -6.461504      2.558976     -1.970878
  H      -4.329682      3.858972     -2.073930
  H      -2.612180      3.602609     -0.304063
  H      -2.977548      2.035714      1.592810
  H      -4.858390     -0.034006      6.105202
  H      -3.984505     -1.084081      7.237778
  H      -5.685154     -0.184158      8.533346
  H      -4.336441      0.922029      8.952185
  H      -7.583156      5.897369      7.606383
  H     -10.294111      5.272505      3.975983
  H     -10.921825      3.311367      2.553451
  H      -9.967276      1.064562      3.042169
  H      -8.415019      0.737215      4.935840
  N      -1.724033      2.822388      3.676121
  N      -1.469902      3.927296      3.063135
  H      -1.868013      4.809557      3.426480
  H      -1.129932      3.907356      2.098994
99
Coordinates from ORCA-job orca E -6706.994663733847
  N      -2.274040      3.375865      6.165765
  Mo     -2.282956      1.677551      5.008150
  N      -2.931032      0.641732      6.644652
  C      -1.871020      0.341394      7.610672
  C      -0.738697      1.356692      7.543786
  N      -0.372443      1.675341      6.127040
  C       0.159971      3.062229      6.009473
  C      -0.982492      4.052288      6.304364
  C       0.571792      0.665554      5.556037
  C       0.123423      0.356359      4.126736
  N      -1.305063      0.096265      4.180391
  H      -0.895529      4.926440      5.638530
  H      -0.883851      4.440233      7.333623
  H       0.528868      3.175399      4.982903
  H       1.010274      3.199358      6.698453
  H       0.689063     -0.499956      3.722992
  H       0.312867      1.229010      3.478798
  H       0.498246     -0.244143      6.167969
  H       1.605748      1.038854      5.617176
  H      -2.241286      0.327995      8.652243
  H      -1.485174     -0.681167      7.414283
  H      -1.061484      2.290393      8.015129
  H       0.151621      0.992448      8.081079
  C      -3.202404      3.721202      7.218806
  C      -3.785341      5.126106      7.014292
  O      -4.627770      5.127786      5.835859
  C      -4.077881      5.463393      4.668680
  O      -2.957235      5.943202      4.520759
  C      -5.021666      5.175667      3.528173
  N      -5.789562      4.105310      3.674828
  C      -6.628617      3.806846      2.652321
  N      -6.793293      4.482921      1.531906
  C      -6.012210      5.587403      1.365587
  C      -6.149473      6.347117      0.177763
  C      -5.364950      7.461796     -0.021141
  C      -4.422192      7.862710      0.957319
  C      -4.266824      7.148523      2.126621
  C      -5.055481      5.990713      2.358707
  C      -1.640434     -1.310705      4.247342
  C      -3.126064     -1.583255      4.186845
  O      -3.788400     -1.027533      2.994260
  C      -4.281029      0.190194      3.034019
  O      -4.044008      1.059842      3.888453
  C      -5.255464      0.461235      1.921286
  N      -6.355080     -0.272763      1.942275
  C      -7.265693     -0.004413      0.963462
  N      -7.145713      0.864647     -0.020723
  C      -6.001907      1.607680     -0.053901
  C      -5.809678      2.555737     -1.087645
  C      -4.669105      3.329600     -1.104032
  C      -3.679025      3.190398     -0.100069
  C      -3.827787      2.266753      0.911563
  C      -4.990977      1.459814      0.950191
  C      -4.185835     -0.005045      6.994360
  C      -4.993277      0.619217      8.137634
  O      -5.729080      1.779858      7.682098
  C      -6.890300      1.521174      7.036231
  O      -7.352083      0.403157      6.891189
  C      -7.537515      2.794266      6.551070
  N      -7.205733      3.902019      7.198622
  C      -7.776389      5.056822      6.773746
  N      -8.621040      5.209781      5.773201
  C      -8.971021      4.080238      5.093399
  C      -9.866061      4.196367      4.001213
  C     -10.230785      3.076747      3.286104
  C      -9.711166      1.806064      3.630746
  C      -8.837525      1.657236      4.688607
  C      -8.449550      2.790219      5.452126
  H      -2.734895      3.717302      8.227842
  H      -4.041429      3.019462      7.225994
  H      -3.009731      5.896827      6.916553
  H      -4.461185      5.367189      7.844056
  H      -7.236524      2.908095      2.786695
  H      -6.887438      6.019078     -0.554990
  H      -5.471802      8.048811     -0.934754
  H      -3.817048      8.753991      0.784807
  H      -3.543891      7.462908      2.876932
  H      -1.286882     -1.816005      5.173833
  H      -1.139832     -1.828401      3.407665
  H      -3.646030     -1.186734      5.059600
  H      -3.312479     -2.659822      4.103376
  H      -8.188661     -0.588693      1.006813
  H      -6.588253      2.658214     -1.843913
  H      -4.525227      4.068226     -1.893595
  H      -2.791364      3.823930     -0.137405
  H      -3.065136      2.153300      1.683543
  H      -4.849271     -0.030479      6.118330
  H      -3.991766     -1.058579      7.282835
  H      -5.698792     -0.118400      8.542267
  H      -4.350645      0.995952      8.943222
  H      -7.494472      5.956469      7.328904
  H     -10.242007      5.189408      3.753119
  H     -10.916944      3.166890      2.442732
  H     -10.003882      0.931207      3.048127
  H      -8.446156      0.676529      4.948602
  N      -1.685326      2.784583      3.672985
  N      -1.415597      3.879062      3.047274
  H      -1.821929      4.767278      3.385716
  H      -1.054299      3.841520      2.091812
99
Coordinates from ORCA-job orca E -6706.994741969545
  N      -2.264707      3.374174      6.156593
  Mo     -2.278038      1.664993      5.014141
  N      -2.934096      0.644500      6.657873
  C      -1.876259      0.346454      7.626938
  C      -0.740967      1.357950      7.556719
  N      -0.369907      1.664504      6.138650
  C       0.168780      3.048168      6.011458
  C      -0.970286      4.046339      6.292643
  C       0.571746      0.646370      5.578405
  C       0.126304      0.328557      4.150152
  N      -1.303373      0.074516      4.201787
  H      -0.877052      4.912722      5.617528
  H      -0.873368      4.445458      7.317721
  H       0.541772      3.150941      4.985251
  H       1.017344      3.187465      6.702112
  H       0.689701     -0.532934      3.754340
  H       0.321201      1.195506      3.496274
  H       0.491448     -0.258492      6.196660
  H       1.607239      1.015210      5.640421
  H      -2.248140      0.337815      8.667973
  H      -1.492266     -0.677629      7.434753
  H      -1.061249      2.296075      8.020714
  H       0.146550      0.993923      8.098814
  C      -3.200589      3.744101      7.193893
  C      -3.767994      5.148973      6.954591
  O      -4.598664      5.133088      5.767567
  C      -4.034781      5.427478      4.595742
  O      -2.901396      5.873886      4.441384
  C      -4.991662      5.163489      3.459410
  N      -5.763764      4.094774      3.596530
  C      -6.625104      3.825831      2.583845
  N      -6.809812      4.530756      1.484910
  C      -6.025328      5.634543      1.329121
  C      -6.185202      6.426304      0.165373
  C      -5.398823      7.541718     -0.021772
  C      -4.432756      7.912616      0.945608
  C      -4.255374      7.167204      2.092121
  C      -5.043403      6.006100      2.309990
  C      -1.645011     -1.330874      4.270285
  C      -3.131242     -1.598611      4.208963
  O      -3.791677     -1.046198      3.014044
  C      -4.282403      0.172614      3.048671
  O      -4.040004      1.046778      3.896967
  C      -5.261638      0.438374      1.939360
  N      -6.338733     -0.329068      1.942437
  C      -7.257028     -0.066274      0.969720
  N      -7.159355      0.822516      0.000443
  C      -6.038045      1.599486     -0.015741
  C      -5.867598      2.565494     -1.036700
  C      -4.751795      3.374720     -1.034765
  C      -3.767496      3.256334     -0.022549
  C      -3.892327      2.312675      0.973554
  C      -5.026926      1.465163      0.990247
  C      -4.187399     -0.006870      7.005416
  C      -4.996894      0.604384      8.154379
  O      -5.742213      1.763184      7.710571
  C      -6.897653      1.501350      7.055512
  O      -7.335756      0.379349      6.872684
  C      -7.549465      2.773372      6.574440
  N      -7.250118      3.874421      7.248298
  C      -7.820962      5.029165      6.823818
  N      -8.638126      5.187888      5.801616
  C      -8.954340      4.065023      5.094635
  C      -9.813917      4.188336      3.975147
  C     -10.139253      3.076588      3.229388
  C      -9.614839      1.806853      3.570242
  C      -8.774717      1.651302      4.653926
  C      -8.427625      2.775962      5.448604
  H      -2.744365      3.755395      8.208117
  H      -4.045628      3.050035      7.203786
  H      -2.983951      5.909905      6.847744
  H      -4.449811      5.414264      7.772015
  H      -7.232550      2.924919      2.706624
  H      -6.941124      6.121859     -0.559178
  H      -5.523125      8.153447     -0.916810
  H      -3.827683      8.805801      0.783230
  H      -3.516021      7.459817      2.834996
  H      -1.294309     -1.836237      5.197880
  H      -1.145116     -1.851843      3.432167
  H      -3.650324     -1.197469      5.080023
  H      -3.320330     -2.675122      4.129928
  H      -8.162306     -0.678420      0.999410
  H      -6.644416      2.654174     -1.796472
  H      -4.626292      4.128330     -1.813348
  H      -2.902913      3.921797     -0.041127
  H      -3.133072      2.215312      1.750737
  H      -4.851478     -0.031568      6.129782
  H      -3.988583     -1.060974      7.288329
  H      -5.696775     -0.141310      8.553957
  H      -4.355717      0.978598      8.962359
  H      -7.564436      5.923296      7.399729
  H     -10.194067      5.180662      3.730699
  H     -10.798060      3.172340      2.365086
  H      -9.875752      0.938565      2.963166
  H      -8.378464      0.671529      4.910413
  N      -1.672803      2.761729      3.674708
  N      -1.398031      3.852838      3.045192
  H      -1.806085      4.742513      3.375277
  H      -1.024294      3.810239      2.095102
99
Coordinates from ORCA-job orca E -6706.995002127863
  N      -2.254721      3.361158      6.143769
  Mo     -2.269106      1.646519      5.008828
  N      -2.933557      0.640094      6.657327
  C      -1.880396      0.342848      7.631402
  C      -0.740504      1.348973      7.558550
  N      -0.364521      1.646763      6.139852
  C       0.178245      3.028299      6.006872
  C      -0.958853      4.030292      6.281544
  C       0.575848      0.622700      5.588301
  C       0.133439      0.296913      4.160932
  N      -1.297277      0.048113      4.210727
  H      -0.861047      4.894938      5.605022
  H      -0.863772      4.431408      7.306014
  H       0.553303      3.125120      4.980841
  H       1.025868      3.168903      6.698454
  H       0.694710     -0.569453      3.772953
  H       0.333309      1.158487      3.501341
  H       0.490854     -0.278071      6.211817
  H       1.612233      0.988889      5.651158
  H      -2.255227      0.342323      8.671469
  H      -1.500629     -0.684074      7.446380
  H      -1.058057      2.290873      8.016798
  H       0.144176      0.984329      8.104782
  C      -3.187495      3.728885      7.185098
  C      -3.756845      5.134312      6.953933
  O      -4.595476      5.124748      5.772407
  C      -4.044810      5.444699      4.601145
  O      -2.918286      5.906623      4.443793
  C      -5.004420      5.176250      3.468908
  N      -5.743332      4.082408      3.588583
  C      -6.606174      3.812179      2.576931
  N      -6.823076      4.537850      1.497615
  C      -6.070123      5.665748      1.359464
  C      -6.259678      6.477603      0.214158
  C      -5.502227      7.615769      0.044177
  C      -4.536290      7.989666      1.010679
  C      -4.330272      7.224464      2.139123
  C      -5.088635      6.040868      2.338861
  C      -1.643577     -1.355621      4.287791
  C      -3.130831     -1.618449      4.229984
  O      -3.789594     -1.074856      3.030378
  C      -4.277635      0.145363      3.052311
  O      -4.030092      1.028886      3.889915
  C      -5.251578      0.402299      1.936373
  N      -6.311869     -0.388671      1.920004
  C      -7.221807     -0.141532      0.935982
  N      -7.129698      0.753456     -0.028455
  C      -6.023456      1.551776     -0.028113
  C      -5.857088      2.521193     -1.046708
  C      -4.755679      3.349462     -1.030957
  C      -3.783789      3.249369     -0.004834
  C      -3.906244      2.305579      0.991385
  C      -5.025220      1.437187      0.993460
  C      -4.193886      0.005596      7.008257
  C      -4.996336      0.638829      8.150121
  O      -5.727553      1.801538      7.692956
  C      -6.886222      1.544475      7.042131
  O      -7.333012      0.424429      6.868371
  C      -7.523722      2.816515      6.541689
  N      -7.218195      3.923790      7.202714
  C      -7.782610      5.076687      6.764670
  N      -8.599403      5.228007      5.740968
  C      -8.923042      4.098604      5.047995
  C      -9.784869      4.213117      3.929293
  C     -10.118202      3.094287      3.197820
  C      -9.600001      1.825818      3.552774
  C      -8.759142      1.678420      4.637078
  C      -8.403177      2.810851      5.416817
  H      -2.727773      3.737158      8.197819
  H      -4.032437      3.034040      7.196374
  H      -2.973899      5.896284      6.845841
  H      -4.433724      5.395511      7.776692
  H      -7.185133      2.890688      2.682722
  H      -7.014424      6.169732     -0.510309
  H      -5.649080      8.242670     -0.836810
  H      -3.953655      8.899934      0.861607
  H      -3.589201      7.517229      2.880655
  H      -1.293199     -1.856347      5.217998
  H      -1.146717     -1.883363      3.452096
  H      -3.648367     -1.208287      5.098102
  H      -3.323546     -2.694964      4.160319
  H      -8.115109     -0.771648      0.951864
  H      -6.624650      2.595114     -1.817366
  H      -4.633142      4.105003     -1.808101
  H      -2.932964      3.932583     -0.009749
  H      -3.157808      2.225102      1.780061
  H      -4.856998     -0.018680      6.131920
  H      -4.007936     -1.048169      7.301221
  H      -5.704986     -0.093904      8.558176
  H      -4.350822      1.014648      8.953910
  H      -7.522480      5.975954      7.330891
  H     -10.159635      5.204609      3.673432
  H     -10.778036      3.183337      2.333610
  H      -9.866948      0.951866      2.956559
  H      -8.368572      0.699443      4.905151
  N      -1.653506      2.734716      3.666619
  N      -1.368206      3.823332      3.037126
  H      -1.773490      4.716186      3.363250
  H      -0.987922      3.776707      2.089514
99
Coordinates from ORCA-job orca E -6706.994475211170
  N      -2.213962      3.364887      6.132947
  Mo     -2.234826      1.648112      5.000550
  N      -2.920759      0.651310      6.645100
  C      -1.880175      0.350866      7.631352
  C      -0.729963      1.345647      7.564273
  N      -0.339379      1.634720      6.147753
  C       0.217640      3.010389      6.015253
  C      -0.913074      4.023409      6.276784
  C       0.595047      0.599686      5.607377
  C       0.162497      0.275934      4.176600
  N      -1.271013      0.041003      4.215039
  H      -0.802351      4.884661      5.598071
  H      -0.821683      4.427726      7.300387
  H       0.602893      3.100444      4.992420
  H       1.060102      3.145374      6.714218
  H       0.718153     -0.596948      3.795530
  H       0.376890      1.133966      3.516799
  H       0.492728     -0.299067      6.231045
  H       1.634935      0.953824      5.680636
  H      -2.264714      0.359515      8.667899
  H      -1.507815     -0.680297      7.455632
  H      -1.042055      2.292255      8.016604
  H       0.146861      0.974737      8.118822
  C      -3.142059      3.733282      7.178900
  C      -3.698111      5.145774      6.961187
  O      -4.558109      5.150715      5.794625
  C      -4.024010      5.444779      4.609253
  O      -2.877453      5.837938      4.416483
  C      -5.023961      5.206485      3.507123
  N      -5.809353      4.150924      3.662186
  C      -6.709759      3.908540      2.675672
  N      -6.919335      4.628442      1.591573
  C      -6.111871      5.712753      1.414316
  C      -6.281707      6.510189      0.255959
  C      -5.470599      7.604761      0.048798
  C      -4.468287      7.948039      0.989443
  C      -4.278571      7.194565      2.128432
  C      -5.092422      6.055992      2.365804
  C      -1.631295     -1.358880      4.291896
  C      -3.121571     -1.606053      4.236138
  O      -3.775416     -1.063526      3.033059
  C      -4.255784      0.159909      3.046341
  O      -3.994952      1.048993      3.874822
  C      -5.220659      0.420066      1.923349
  N      -6.269522     -0.386403      1.885037
  C      -7.165302     -0.151409      0.886008
  N      -7.071909      0.750005     -0.072365
  C      -5.975676      1.561483     -0.054431
  C      -5.808794      2.535561     -1.068633
  C      -4.717074      3.375556     -1.039054
  C      -3.756868      3.284166     -0.001136
  C      -3.883803      2.341467      0.995800
  C      -4.993025      1.460341      0.984597
  C      -4.187927      0.024616      6.983537
  C      -5.004145      0.676925      8.104632
  O      -5.732362      1.829991      7.618451
  C      -6.896361      1.557237      6.983942
  O      -7.360445      0.436389      6.870651
  C      -7.547989      2.817302      6.471834
  N      -7.206683      3.942692      7.083067
  C      -7.791525      5.083880      6.641430
  N      -8.663752      5.207032      5.660401
  C      -9.027599      4.058279      5.021027
  C      -9.957814      4.140870      3.955535
  C     -10.334766      3.001659      3.278783
  C      -9.791800      1.744019      3.635434
  C      -8.886552      1.627102      4.670578
  C      -8.486339      2.781000      5.395889
  H      -2.678662      3.731243      8.190054
  H      -3.992973      3.045642      7.189595
  H      -2.907784      5.898273      6.841195
  H      -4.358309      5.413612      7.795521
  H      -7.337745      3.025355      2.816527
  H      -7.066117      6.228037     -0.447416
  H      -5.602118      8.220391     -0.842434
  H      -3.842429      8.823568      0.810496
  H      -3.505953      7.460698      2.848213
  H      -1.284440     -1.862932      5.221671
  H      -1.141375     -1.891893      3.455447
  H      -3.635295     -1.186706      5.102858
  H      -3.325129     -2.680847      4.171711
  H      -8.051742     -0.791423      0.888444
  H      -6.566361      2.600086     -1.849922
  H      -4.593330      4.133595     -1.813633
  H      -2.916010      3.979594      0.008230
  H      -3.147453      2.273457      1.795439
  H      -4.837609     -0.008181      6.097747
  H      -4.009780     -1.025956      7.292991
  H      -5.716680     -0.048787      8.518467
  H      -4.367848      1.068056      8.908458
  H      -7.497461      5.999199      7.163745
  H     -10.348072      5.124940      3.694254
  H     -11.046105      3.066275      2.454200
  H     -10.092330      0.853818      3.080548
  H      -8.479443      0.655979      4.942187
  N      -1.599637      2.730854      3.661486
  N      -1.304160      3.819893      3.037881
  H      -1.700762      4.715127      3.367696
  H      -0.914259      3.774736      2.094245
99
Coordinates from ORCA-job orca E -6706.995105424519
  N      -2.234099      3.354688      6.124228
  Mo     -2.247206      1.629420      5.004226
  N      -2.923297      0.640203      6.657894
  C      -1.877719      0.349361      7.641701
  C      -0.733806      1.350607      7.566305
  N      -0.348751      1.634631      6.147212
  C       0.199370      3.013010      6.006045
  C      -0.936644      4.020855      6.263699
  C       0.591216      0.602584      5.610463
  C       0.157053      0.267269      4.182851
  N      -1.274842      0.023454      4.225889
  H      -0.831421      4.878766      5.579880
  H      -0.846663      4.431567      7.284796
  H       0.582222      3.099598      4.981991
  H       1.042398      3.157109      6.702510
  H       0.717496     -0.604224      3.805475
  H       0.364246      1.122713      3.517501
  H       0.497147     -0.293006      6.240029
  H       1.628761      0.964569      5.678291
  H      -2.258918      0.360286      8.679413
  H      -1.500196     -0.680504      7.469072
  H      -1.050183      2.297657      8.014643
  H       0.146646      0.987672      8.120430
  C      -3.168591      3.731615      7.161146
  C      -3.725216      5.141363      6.926919
  O      -4.570364      5.138695      5.749445
  C      -4.023866      5.447080      4.573298
  O      -2.889803      5.884576      4.403391
  C      -5.006163      5.209695      3.454050
  N      -5.769710      4.133811      3.577404
  C      -6.654850      3.893870      2.576586
  N      -6.869716      4.633150      1.506484
  C      -6.086746      5.740081      1.362778
  C      -6.267530      6.562651      0.223822
  C      -5.480554      7.680262      0.050052
  C      -4.492767      8.022522      1.006201
  C      -4.294316      7.245927      2.128131
  C      -5.083458      6.083485      2.331286
  C      -1.626039     -1.378800      4.306850
  C      -3.114066     -1.637485      4.249314
  O      -3.770361     -1.101413      3.045060
  C      -4.258290      0.119058      3.056841
  O      -4.004921      1.011221      3.884281
  C      -5.233410      0.367914      1.940960
  N      -6.269523     -0.454609      1.901528
  C      -7.179891     -0.217739      0.916098
  N      -7.109915      0.698739     -0.030252
  C      -6.028372      1.529670     -0.008352
  C      -5.888067      2.524260     -1.006662
  C      -4.813083      3.385687     -0.969493
  C      -3.843302      3.294947      0.059339
  C      -3.942395      2.330500      1.038091
  C      -5.033800      1.427636      1.018732
  C      -4.187569      0.012051      7.005323
  C      -4.998137      0.660350      8.133003
  O      -5.728014      1.815965      7.655449
  C      -6.882807      1.546968      7.002680
  O      -7.331875      0.424275      6.853114
  C      -7.536107      2.811892      6.504707
  N      -7.232335      3.924045      7.158466
  C      -7.815630      5.069803      6.726495
  N      -8.651334      5.209571      5.716414
  C      -8.973608      4.075099      5.031036
  C      -9.857477      4.177201      3.928444
  C     -10.188457      3.053731      3.203139
  C      -9.644921      1.792972      3.547601
  C      -8.783873      1.657348      4.617520
  C      -8.431397      2.794370      5.392313
  H      -2.712359      3.738850      8.175508
  H      -4.018719      3.043223      7.171486
  H      -2.935072      5.894933      6.812234
  H      -4.395742      5.412628      7.751708
  H      -7.261739      2.991653      2.689361
  H      -7.039623      6.279955     -0.492650
  H      -5.619986      8.314798     -0.826635
  H      -3.886272      8.916487      0.853734
  H      -3.534407      7.512574      2.860748
  H      -1.276766     -1.877867      5.238352
  H      -1.131089     -1.910524      3.472534
  H      -3.631576     -1.220643      5.114377
  H      -3.309373     -2.714006      4.186892
  H      -8.055152     -0.872882      0.916271
  H      -6.653531      2.588475     -1.780267
  H      -4.709876      4.159470     -1.731308
  H      -3.015368      4.005641      0.074239
  H      -3.197133      2.261317      1.829807
  H      -4.843182     -0.020966      6.123800
  H      -4.006136     -1.038637      7.312194
  H      -5.708877     -0.067225      8.546560
  H      -4.358366      1.047714      8.935907
  H      -7.555361      5.973540      7.285477
  H     -10.249525      5.163518      3.678583
  H     -10.864380      3.133471      2.350552
  H      -9.908983      0.915578      2.955086
  H      -8.375456      0.683943      4.878741
  N      -1.621801      2.706752      3.656803
  N      -1.336001      3.792398      3.022633
  H      -1.753899      4.684145      3.334980
  H      -0.939146      3.740691      2.082085
99
Coordinates from ORCA-job orca E -6706.994989513037
  N      -2.223441      3.355773      6.137090
  Mo     -2.249116      1.632391      5.014713
  N      -2.926455      0.644660      6.668522
  C      -1.879852      0.349270      7.650055
  C      -0.730539      1.344382      7.571851
  N      -0.347380      1.626416      6.151767
  C       0.207705      3.002001      6.009047
  C      -0.922327      4.016187      6.270367
  C       0.584833      0.589078      5.611598
  C       0.145467      0.258795      4.184377
  N      -1.287764      0.023453      4.230997
  H      -0.815724      4.872530      5.584730
  H      -0.826088      4.427912      7.290386
  H       0.587696      3.086501      4.983679
  H       1.053766      3.141566      6.702773
  H       0.699732     -0.615458      3.804223
  H       0.356006      1.113929      3.519655
  H       0.485019     -0.307215      6.239388
  H       1.625023      0.943495      5.678883
  H      -2.258654      0.362037      8.688604
  H      -1.507818     -0.682460      7.476646
  H      -1.040247      2.293178      8.021164
  H       0.149242      0.976312      8.123690
  C      -3.153085      3.735154      7.177114
  C      -3.712663      5.141987      6.937719
  O      -4.554070      5.131031      5.757395
  C      -4.006266      5.447729      4.583926
  O      -2.872714      5.888847      4.419932
  C      -4.979366      5.198285      3.458089
  N      -5.705634      4.094325      3.559261
  C      -6.584725      3.845577      2.554961
  N      -6.828124      4.600535      1.502063
  C      -6.086048      5.738107      1.382290
  C      -6.302374      6.580699      0.264299
  C      -5.557077      7.729678      0.113872
  C      -4.577898      8.084777      1.073938
  C      -4.346070      7.289644      2.176418
  C      -5.090208      6.093570      2.354371
  C      -1.647703     -1.376836      4.306649
  C      -3.137633     -1.625995      4.261525
  O      -3.802270     -1.086328      3.063394
  C      -4.282306      0.137483      3.076813
  O      -4.016079      1.028803      3.901948
  C      -5.267809      0.386563      1.970073
  N      -6.314266     -0.423924      1.956279
  C      -7.238261     -0.188180      0.984165
  N      -7.171071      0.712401      0.022987
  C      -6.079253      1.529827      0.016224
  C      -5.938452      2.499712     -1.005798
  C      -4.849519      3.343516     -1.004588
  C      -3.865044      3.258892      0.011120
  C      -3.963089      2.316195      1.011577
  C      -5.068823      1.430484      1.028836
  C      -4.191873      0.019103      7.017067
  C      -5.002528      0.669611      8.143174
  O      -5.729959      1.825273      7.662363
  C      -6.883044      1.556734      7.006448
  O      -7.325359      0.433187      6.843699
  C      -7.518384      2.818654      6.479108
  N      -7.220628      3.937908      7.123272
  C      -7.786836      5.081162      6.662697
  N      -8.601934      5.211520      5.634633
  C      -8.916367      4.069579      4.958043
  C      -9.774957      4.161408      3.834725
  C     -10.094639      3.030166      3.116401
  C      -9.564584      1.771560      3.488800
  C      -8.728098      1.646082      4.579211
  C      -8.388347      2.791307      5.347344
  H      -2.694058      3.746266      8.190207
  H      -4.002609      3.046334      7.191917
  H      -2.924543      5.897415      6.821300
  H      -4.386131      5.414251      7.759745
  H      -7.151229      2.914600      2.643166
  H      -7.067274      6.287480     -0.455532
  H      -5.724139      8.379572     -0.746622
  H      -4.005968      9.004265      0.941021
  H      -3.594844      7.567990      2.913057
  H      -1.293290     -1.883204      5.232239
  H      -1.163556     -1.907266      3.465138
  H      -3.644597     -1.206525      5.131272
  H      -3.339789     -2.701413      4.200533
  H      -8.119093     -0.835598      1.004518
  H      -6.714817      2.559407     -1.768820
  H      -4.746131      4.098110     -1.785826
  H      -3.023440      3.953387     -0.004397
  H      -3.202850      2.248275      1.789081
  H      -4.847492     -0.014783      6.135568
  H      -4.011816     -1.031313      7.325534
  H      -5.715033     -0.056560      8.556143
  H      -4.363635      1.057047      8.946750
  H      -7.531708      5.991174      7.213787
  H     -10.157175      5.146034      3.563875
  H     -10.751766      3.101726      2.248530
  H      -9.819148      0.887871      2.901525
  H      -8.329942      0.674311      4.861966
  N      -1.623256      2.711503      3.668662
  N      -1.327891      3.799338      3.043240
  H      -1.705567      4.697905      3.385030
  H      -0.955570      3.753160      2.092717
99
Coordinates from ORCA-job orca E -6706.995181009403
  N      -2.232675      3.349111      6.123098
  Mo     -2.244907      1.621469      5.006052
  N      -2.924859      0.636352      6.660448
  C      -1.881059      0.345490      7.646143
  C      -0.735440      1.344875      7.571075
  N      -0.347977      1.627141      6.152310
  C       0.201349      3.004987      6.010642
  C      -0.934600      4.014317      6.264040
  C       0.591770      0.593435      5.618342
  C       0.159700      0.257072      4.190424
  N      -1.272574      0.014967      4.232066
  H      -0.827042      4.870762      5.578785
  H      -0.846320      4.427178      7.284383
  H       0.586960      3.089739      4.987442
  H       1.042751      3.149514      6.708976
  H       0.719457     -0.615729      3.815107
  H       0.368842      1.111183      3.523986
  H       0.494260     -0.301606      6.248176
  H       1.629769      0.953640      5.688481
  H      -2.263755      0.358795      8.683289
  H      -1.505106     -0.685294      7.475659
  H      -1.050610      2.292854      8.018326
  H       0.143776      0.980992      8.126567
  C      -3.168145      3.726503      7.158968
  C      -3.723573      5.135766      6.922889
  O      -4.567574      5.131437      5.744313
  C      -4.021064      5.441303      4.568506
  O      -2.882968      5.867499      4.397742
  C      -5.004697      5.206198      3.449280
  N      -5.750010      4.116159      3.558381
  C      -6.636219      3.878428      2.557263
  N      -6.867904      4.631427      1.500598
  C      -6.104454      5.754017      1.372257
  C      -6.304619      6.592659      0.248390
  C      -5.539375      7.727781      0.091644
  C      -4.555789      8.072735      1.050912
  C      -4.338550      7.280492      2.158414
  C      -5.103174      6.098543      2.342448
  C      -1.625981     -1.386893      4.309958
  C      -3.114487     -1.643237      4.258145
  O      -3.774899     -1.109774      3.055146
  C      -4.261523      0.111521      3.062841
  O      -4.001657      1.007523      3.884737
  C      -5.236943      0.356221      1.946871
  N      -6.271739     -0.468678      1.910739
  C      -7.184844     -0.237232      0.927528
  N      -7.119417      0.676805     -0.021381
  C      -6.039329      1.509483     -0.005067
  C      -5.902531      2.496904     -1.010892
  C      -4.825165      3.355351     -0.986854
  C      -3.848609      3.267801      0.036048
  C      -3.945313      2.311680      1.023570
  C      -5.040171      1.412348      1.018881
  C      -4.191988      0.015475      7.010653
  C      -4.998184      0.671476      8.136939
  O      -5.722391      1.829731      7.656862
  C      -6.878811      1.565081      7.005216
  O      -7.329319      0.443633      6.850366
  C      -7.520624      2.830605      6.494803
  N      -7.216505      3.944740      7.144874
  C      -7.792201      5.090606      6.702989
  N      -8.622919      5.228041      5.688418
  C      -8.944703      4.091426      5.006316
  C      -9.821483      4.190974      3.897816
  C     -10.147871      3.065793      3.173071
  C      -9.606725      1.805740      3.524024
  C      -8.754115      1.672356      4.600932
  C      -8.406875      2.811156      5.375415
  H      -2.713878      3.733477      8.174276
  H      -4.018791      3.038895      7.167679
  H      -2.932956      5.888710      6.807445
  H      -4.394847      5.408887      7.746487
  H      -7.224071      2.962166      2.655335
  H      -7.074214      6.308540     -0.470179
  H      -5.693840      8.374553     -0.773515
  H      -3.968082      8.981436      0.912747
  H      -3.582984      7.550513      2.894064
  H      -1.273066     -1.889241      5.238291
  H      -1.135767     -1.916842      3.471675
  H      -3.627857     -1.223950      5.124281
  H      -3.311279     -2.719715      4.199058
  H      -8.056813     -0.896853      0.929432
  H      -6.671942      2.556543     -1.780921
  H      -4.724767      4.122911     -1.755553
  H      -3.016551      3.973836      0.039465
  H      -3.193193      2.245133      1.808958
  H      -4.848490     -0.017390      6.129875
  H      -4.015347     -1.034982      7.320867
  H      -5.712558     -0.050858      8.553415
  H      -4.355520      1.057795      8.938050
  H      -7.530775      5.996411      7.258048
  H     -10.210912      5.176878      3.642348
  H     -10.817961      3.143607      2.315717
  H      -9.866265      0.927174      2.931289
  H      -8.348223      0.699330      4.867742
  N      -1.616898      2.699201      3.659847
  N      -1.329506      3.787237      3.030851
  H      -1.737840      4.679579      3.352485
  H      -0.935790      3.739472      2.089018
99
Coordinates from ORCA-job orca E -6706.995074861072
  N      -2.200920      3.354905      6.109888
  Mo     -2.235672      1.616324      5.009853
  N      -2.915637      0.649670      6.674161
  C      -1.872183      0.363196      7.661178
  C      -0.718684      1.352411      7.571451
  N      -0.333806      1.615690      6.148178
  C       0.228774      2.986194      5.990271
  C      -0.896144      4.008915      6.238299
  C       0.593306      0.567545      5.620785
  C       0.153686      0.223882      4.196874
  N      -1.280852     -0.003932      4.245120
  H      -0.782862      4.857592      5.544476
  H      -0.799242      4.430753      7.254116
  H       0.611164      3.056791      4.964746
  H       1.074312      3.129423      6.683932
  H       0.703557     -0.657464      3.827004
  H       0.369241      1.070441      3.522717
  H       0.487742     -0.321292      6.258124
  H       1.635350      0.916970      5.685644
  H      -2.252394      0.391419      8.698971
  H      -1.503887     -0.672182      7.502379
  H      -1.024533      2.307806      8.009338
  H       0.159629      0.987581      8.127727
  C      -3.125477      3.748453      7.149725
  C      -3.669006      5.162065      6.911680
  O      -4.523004      5.163827      5.739919
  C      -3.986973      5.480044      4.561044
  O      -2.852224      5.911414      4.382306
  C      -4.984760      5.260663      3.451837
  N      -5.738578      4.176703      3.561174
  C      -6.636407      3.953527      2.567036
  N      -6.869723      4.714892      1.516582
  C      -6.096038      5.830463      1.387592
  C      -6.296915      6.677246      0.269892
  C      -5.522296      7.806117      0.113539
  C      -4.527415      8.135799      1.066658
  C      -4.308625      7.334716      2.167343
  C      -5.084006      6.160043      2.351476
  C      -1.647188     -1.401945      4.333600
  C      -3.138408     -1.644605      4.295207
  O      -3.802559     -1.114201      3.092724
  C      -4.279424      0.110788      3.094508
  O      -4.004551      1.012483      3.905532
  C      -5.260361      0.356947      1.984425
  N      -6.296376     -0.466428      1.949856
  C      -7.212650     -0.230755      0.970564
  N      -7.152036      0.689610      0.027148
  C      -6.070884      1.521168      0.042173
  C      -5.940983      2.518238     -0.955137
  C      -4.864426      3.377701     -0.928949
  C      -3.881742      3.281257      0.087154
  C      -3.971911      2.316022      1.066203
  C      -5.066339      1.416380      1.059896
  C      -4.181216      0.023809      7.021649
  C      -5.003821      0.685658      8.132433
  O      -5.737317      1.828047      7.629359
  C      -6.884412      1.540630      6.971344
  O      -7.323615      0.412449      6.834014
  C      -7.538700      2.791776      6.441520
  N      -7.249144      3.917769      7.077782
  C      -7.836847      5.051108      6.619936
  N      -8.668139      5.165576      5.602944
  C      -8.975583      4.016481      4.935160
  C      -9.854515      4.091086      3.826382
  C     -10.167539      2.952900      3.116254
  C      -9.609495      1.704486      3.481942
  C      -8.754305      1.595345      4.559553
  C      -8.422090      2.747681      5.320482
  H      -2.664172      3.756721      8.161891
  H      -3.982516      3.069368      7.168587
  H      -2.872188      5.906931      6.786662
  H      -4.331479      5.444745      7.739217
  H      -7.235606      3.044659      2.668189
  H      -7.075350      6.404705     -0.443659
  H      -5.677610      8.459216     -0.746678
  H      -3.931534      9.039229      0.928923
  H      -3.543130      7.592184      2.897618
  H      -1.291033     -1.902333      5.261721
  H      -1.169294     -1.941220      3.494095
  H      -3.642035     -1.214403      5.162162
  H      -3.345659     -2.719599      4.245192
  H      -8.085670     -0.889102      0.974309
  H      -6.715317      2.585008     -1.719615
  H      -4.769317      4.153884     -1.689510
  H      -3.050274      3.987931      0.092580
  H      -3.216086      2.244046      1.847415
  H      -4.829448     -0.024722      6.135471
  H      -3.999126     -1.021636      7.345574
  H      -5.713452     -0.039036      8.552879
  H      -4.372891      1.090607      8.933680
  H      -7.585494      5.967360      7.162445
  H     -10.256633      5.068709      3.559002
  H     -10.839449      3.011415      2.258811
  H      -9.857771      0.815507      2.899945
  H      -8.335936      0.630861      4.837752
  N      -1.605924      2.675824      3.648167
  N      -1.319755      3.756613      3.006823
  H      -1.725862      4.653397      3.320105
  H      -0.926618      3.698360      2.064922
99
Coordinates from ORCA-job orca E -6706.995202577679
  N      -2.215959      3.347790      6.111717
  Mo     -2.236310      1.611971      5.006555
  N      -2.918811      0.641467      6.668088
  C      -1.876495      0.355596      7.656714
  C      -0.726816      1.349687      7.573216
  N      -0.338472      1.618893      6.152049
  C       0.216572      2.993142      5.999659
  C      -0.915072      4.008898      6.246220
  C       0.596466      0.577178      5.625537
  C       0.163039      0.233164      4.199873
  N      -1.270279     -0.002438      4.243478
  H      -0.804660      4.859628      5.554391
  H      -0.824004      4.429246      7.263248
  H       0.602237      3.068651      4.975738
  H       1.058823      3.139365      6.696643
  H       0.718830     -0.644642      3.830439
  H       0.375892      1.081743      3.527492
  H       0.494231     -0.313174      6.261260
  H       1.636204      0.932727      5.693726
  H      -2.259422      0.379160      8.693609
  H      -1.504309     -0.677986      7.495199
  H      -1.037785      2.302615      8.012849
  H       0.151072      0.986722      8.131421
  C      -3.146499      3.732952      7.149378
  C      -3.695338      5.144443      6.912491
  O      -4.544583      5.143973      5.737355
  C      -4.001212      5.453235      4.560068
  O      -2.861004      5.871580      4.384978
  C      -4.993307      5.234589      3.445352
  N      -5.743076      4.147105      3.546533
  C      -6.636540      3.925889      2.547662
  N      -6.870298      4.692624      1.501383
  C      -6.101106      5.812328      1.381232
  C      -6.302410      6.665352      0.268478
  C      -5.531143      7.797772      0.120976
  C      -4.539666      8.125138      1.078283
  C      -4.320744      7.318062      2.174668
  C      -5.092454      6.139560      2.349311
  C      -1.629723     -1.402514      4.326231
  C      -3.119298     -1.653077      4.281161
  O      -3.782173     -1.124100      3.077713
  C      -4.264847      0.098818      3.079379
  O      -3.996844      1.000119      3.893094
  C      -5.247782      0.338168      1.969542
  N      -6.270542     -0.501527      1.928886
  C      -7.188700     -0.276546      0.949095
  N      -7.139517      0.646933      0.008031
  C      -6.071439      1.495012      0.028525
  C      -5.952061      2.493222     -0.968951
  C      -4.887505      3.367519     -0.940026
  C      -3.907135      3.285297      0.079462
  C      -3.986593      2.318762      1.058155
  C      -5.068042      1.403596      1.048908
  C      -4.186898      0.023220      7.019397
  C      -4.999943      0.690638      8.133836
  O      -5.725277      1.840471      7.635372
  C      -6.874909      1.563246      6.977128
  O      -7.320385      0.438292      6.833470
  C      -7.523116      2.820519      6.454503
  N      -7.230909      3.941302      7.098630
  C      -7.815907      5.079193      6.648315
  N      -8.647436      5.202438      5.632581
  C      -8.956756      4.058884      4.956284
  C      -9.834264      4.143214      3.847074
  C     -10.147050      3.011117      3.127143
  C      -9.591019      1.759118      3.483680
  C      -8.738243      1.640375      4.562162
  C      -8.405533      2.786385      5.332393
  H      -2.689488      3.740041      8.163511
  H      -4.000463      3.049528      7.162225
  H      -2.901033      5.892639      6.791734
  H      -4.361571      5.423315      7.738248
  H      -7.230491      3.012940      2.640276
  H      -7.077945      6.394821     -0.448962
  H      -5.686510      8.455539     -0.735681
  H      -3.946863      9.031573      0.947268
  H      -3.558192      7.574023      2.908432
  H      -1.274902     -1.903786      5.254390
  H      -1.145242     -1.936700      3.487268
  H      -3.627856     -1.227285      5.147059
  H      -3.320329     -2.729129      4.228791
  H      -8.050442     -0.949700      0.947180
  H      -6.724861      2.548511     -1.735884
  H      -4.800917      4.143933     -1.701352
  H      -3.085480      4.003352      0.087459
  H      -3.231393      2.257028      1.840822
  H      -4.839027     -0.020220      6.135874
  H      -4.010605     -1.023601      7.341871
  H      -5.714346     -0.028505      8.555771
  H      -4.362419      1.088918      8.933205
  H      -7.563155      5.990945      7.197619
  H     -10.234779      5.123391      3.586768
  H     -10.817368      3.077303      2.268998
  H      -9.839027      0.875160      2.894016
  H      -8.321583      0.673199      4.833619
  N      -1.606301      2.678746      3.651818
  N      -1.316254      3.763254      3.017974
  H      -1.716162      4.659671      3.339519
  H      -0.925458      3.710304      2.075090
99
Coordinates from ORCA-job orca E -6706.995150735953
  N      -2.228324      3.351117      6.121364
  Mo     -2.246893      1.620935      5.008103
  N      -2.923326      0.638638      6.665107
  C      -1.877891      0.347764      7.648918
  C      -0.729889      1.344109      7.568795
  N      -0.346163      1.624657      6.148731
  C       0.205308      3.001317      6.004923
  C      -0.928297      4.013373      6.259286
  C       0.589972      0.588936      5.612575
  C       0.153561      0.253675      4.185841
  N      -1.279094      0.014301      4.231745
  H      -0.819839      4.868730      5.572933
  H      -0.837124      4.427413      7.278850
  H       0.589849      3.084308      4.981129
  H       1.048005      3.144884      6.701936
  H       0.710394     -0.620213      3.808753
  H       0.362410      1.107397      3.518751
  H       0.491699     -0.306183      6.242256
  H       1.629016      0.946553      5.680626
  H      -2.258336      0.365561      8.686877
  H      -1.505325     -0.684687      7.481137
  H      -1.041150      2.293197      8.016403
  H       0.150362      0.978694      8.121659
  C      -3.160814      3.729787      7.159529
  C      -3.715704      5.138860      6.923626
  O      -4.563379      5.132655      5.746978
  C      -4.020226      5.445238      4.570256
  O      -2.884346      5.876480      4.398188
  C      -5.006321      5.213844      3.452044
  N      -5.752760      4.124344      3.558294
  C      -6.637598      3.888821      2.554912
  N      -6.863668      4.641647      1.496997
  C      -6.099363      5.764247      1.372071
  C      -6.295321      6.604086      0.248315
  C      -5.531343      7.740865      0.097010
  C      -4.553022      8.086058      1.061462
  C      -4.339395      7.292123      2.168486
  C      -5.102712      6.108612      2.346909
  C      -1.635224     -1.387112      4.306008
  C      -3.124459     -1.640226      4.263046
  O      -3.791739     -1.104370      3.064739
  C      -4.276098      0.117975      3.074582
  O      -4.007262      1.015050      3.892843
  C      -5.250449      0.367678      1.959257
  N      -6.298962     -0.440142      1.932985
  C      -7.211424     -0.202190      0.951173
  N      -7.137512      0.706466     -0.002030
  C      -6.044433      1.522050      0.004079
  C      -5.899298      2.502380     -1.007350
  C      -4.805854      3.340234     -0.998292
  C      -3.819659      3.237177      0.013986
  C      -3.926147      2.289488      1.009010
  C      -5.039316      1.412824      1.021391
  C      -4.190690      0.021052      7.020714
  C      -4.994880      0.683029      8.144850
  O      -5.722344      1.837446      7.660359
  C      -6.877058      1.565686      7.008882
  O      -7.317853      0.440983      6.849638
  C      -7.526069      2.825918      6.494874
  N      -7.239717      3.941787      7.149966
  C      -7.828444      5.081385      6.708792
  N      -8.659079      5.210410      5.693007
  C      -8.961789      4.071954      5.005251
  C      -9.836538      4.162788      3.894352
  C     -10.140511      3.036423      3.161705
  C      -9.578019      1.784055      3.506722
  C      -8.728295      1.658921      4.586877
  C      -8.404931      2.798712      5.370042
  H      -2.704877      3.736224      8.174155
  H      -4.012218      3.043185      7.169772
  H      -2.925084      5.891138      6.804010
  H      -4.384325      5.414073      7.748625
  H      -7.227028      2.973470      2.651492
  H      -7.061687      6.320497     -0.473872
  H      -5.682841      8.388450     -0.768061
  H      -3.966321      8.996041      0.927555
  H      -3.587102      7.562278      2.907453
  H      -1.276357     -1.894184      5.229443
  H      -1.152500     -1.914198      3.461535
  H      -3.631425     -1.220992      5.132826
  H      -3.323773     -2.716263      4.203958
  H      -8.091729     -0.850517      0.958936
  H      -6.674649      2.572126     -1.770534
  H      -4.699043      4.102428     -1.771647
  H      -2.971647      3.923895      0.003468
  H      -3.166442      2.211913      1.786167
  H      -4.848839     -0.016292      6.141445
  H      -4.013978     -1.027790      7.336058
  H      -5.707561     -0.037616      8.567161
  H      -4.350839      1.074662      8.942302
  H      -7.580705      5.989105      7.266949
  H     -10.241641      5.143365      3.642791
  H     -10.808622      3.107641      2.302238
  H      -9.818744      0.904965      2.906892
  H      -8.306385      0.691414      4.849107
  N      -1.623126      2.697237      3.657374
  N      -1.345232      3.786512      3.027076
  H      -1.753501      4.677791      3.351907
  H      -0.955392      3.740769      2.083552
99
Coordinates from ORCA-job orca E -6706.995218189223
  N      -2.219050      3.348903      6.115558
  Mo     -2.238838      1.614724      5.007751
  N      -2.919781      0.639713      6.667137
  C      -1.876832      0.351697      7.654463
  C      -0.727513      1.346392      7.572861
  N      -0.340227      1.620016      6.152299
  C       0.213874      2.995059      6.003540
  C      -0.918276      4.009854      6.252366
  C       0.595095      0.580382      5.622372
  C       0.160705      0.239317      4.196318
  N      -1.272503      0.003062      4.240605
  H      -0.807762      4.862316      5.562730
  H      -0.827682      4.427792      7.270406
  H       0.599883      3.073321      4.979942
  H       1.055902      3.140022      6.701077
  H       0.716483     -0.637481      3.824491
  H       0.372650      1.089410      3.525544
  H       0.494309     -0.311621      6.256042
  H       1.634604      0.936649      5.690443
  H      -2.259418      0.373129      8.691554
  H      -1.504715     -0.681550      7.490700
  H      -1.038446      2.297879      8.015597
  H       0.150956      0.982160      8.129336
  C      -3.151207      3.732283      7.152405
  C      -3.701419      5.143084      6.915329
  O      -4.550839      5.140565      5.739962
  C      -4.007994      5.450825      4.562585
  O      -2.868963      5.872535      4.387896
  C      -4.998231      5.227722      3.446797
  N      -5.746356      4.139181      3.549186
  C      -6.637265      3.913549      2.548806
  N      -6.868622      4.676013      1.498964
  C      -6.102023      5.797502      1.378085
  C      -6.302513      6.647186      0.262621
  C      -5.535195      7.782322      0.115385
  C      -4.548685      8.115844      1.075624
  C      -4.330477      7.311982      2.174553
  C      -5.097722      6.130512      2.348744
  C      -1.631658     -1.397304      4.320053
  C      -3.121395     -1.647562      4.277823
  O      -3.786844     -1.117218      3.076315
  C      -4.268425      0.106200      3.078898
  O      -3.998297      1.007100      3.892463
  C      -5.248967      0.348368      1.967580
  N      -6.280572     -0.480655      1.932652
  C      -7.197285     -0.251926      0.952552
  N      -7.140614      0.666548      0.007237
  C      -6.063996      1.503779      0.021871
  C      -5.936799      2.495614     -0.980859
  C      -4.861903      3.357218     -0.960602
  C      -3.878153      3.267910      0.055119
  C      -3.966189      2.308313      1.040162
  C      -5.058969      1.406580      1.040331
  C      -4.187651      0.021050      7.018925
  C      -4.998672      0.686359      8.136143
  O      -5.724441      1.837996      7.642376
  C      -6.876295      1.563597      6.986934
  O      -7.322593      0.439387      6.839986
  C      -7.522355      2.822198      6.465257
  N      -7.228354      3.942028      7.110142
  C      -7.812092      5.081022      6.660839
  N      -8.644664      5.205882      5.646137
  C      -8.955029      4.063348      4.968575
  C      -9.832573      4.149523      3.859505
  C     -10.144884      3.018693      3.137360
  C      -9.588192      1.766248      3.491334
  C      -8.735785      1.645672      4.569888
  C      -8.404064      2.790203      5.342651
  H      -2.695890      3.738572      8.167318
  H      -4.004625      3.048295      7.163032
  H      -2.908074      5.892239      6.794235
  H      -4.368028      5.421647      7.740874
  H      -7.229342      2.999520      2.642446
  H      -7.074660      6.372364     -0.456821
  H      -5.690176      8.437530     -0.743305
  H      -3.959268      9.024523      0.944874
  H      -3.571698      7.572915      2.910350
  H      -1.274443     -1.901144      5.245879
  H      -1.149418     -1.928936      3.478160
  H      -3.627907     -1.222543      5.145346
  H      -3.322766     -2.723517      4.224714
  H      -8.065097     -0.917089      0.954447
  H      -6.711557      2.555660     -1.745454
  H      -4.769238      4.128534     -1.726517
  H      -3.046656      3.974587      0.055172
  H      -3.208408      2.241551      1.820027
  H      -4.841092     -0.020703      6.136324
  H      -4.010956     -1.026383      7.338976
  H      -5.712669     -0.033243      8.557993
  H      -4.359280      1.082489      8.935102
  H      -7.557303      5.992209      7.210126
  H     -10.233238      5.130092      3.600902
  H     -10.815155      3.086284      2.279287
  H      -9.835340      0.883461      2.899586
  H      -8.318732      0.678041      4.839226
  N      -1.610140      2.685056      3.654730
  N      -1.326148      3.772241      3.023114
  H      -1.733319      4.665520      3.344155
  H      -0.932288      3.723110      2.081349
99
Coordinates from ORCA-job orca E -6706.995219849446
  N      -2.215073      3.347868      6.110887
  Mo     -2.235381      1.610964      5.006953
  N      -2.918900      0.640465      6.667918
  C      -1.877227      0.354394      7.657181
  C      -0.727077      1.348020      7.574354
  N      -0.337860      1.617556      6.153563
  C       0.217632      2.991672      6.001787
  C      -0.913863      4.008134      6.246714
  C       0.597012      0.575756      5.627271
  C       0.164230      0.232284      4.201329
  N      -1.269238     -0.002534      4.244275
  H      -0.802115      4.858468      5.554637
  H      -0.823664      4.428973      7.263599
  H       0.604868      3.066901      4.978416
  H       1.059022      3.137705      6.699882
  H       0.719639     -0.645762      3.831929
  H       0.377851      1.080841      3.529127
  H       0.494207     -0.314836      6.262600
  H       1.636844      0.930916      5.696136
  H      -2.260996      0.378771      8.693769
  H      -1.505648     -0.679516      7.496484
  H      -1.037734      2.300951      8.014211
  H       0.150413      0.984528      8.132865
  C      -3.146558      3.733145      7.147691
  C      -3.696022      5.144042      6.909714
  O      -4.547428      5.141271      5.735631
  C      -4.006277      5.450456      4.557298
  O      -2.866919      5.870340      4.380321
  C      -4.999580      5.231156      3.443612
  N      -5.749778      4.144139      3.545882
  C      -6.643482      3.922328      2.546992
  N      -6.875492      4.687255      1.499148
  C      -6.106338      5.807027      1.378266
  C      -6.306963      6.659015      0.264615
  C      -5.537099      7.792517      0.117736
  C      -4.547678      8.121935      1.076380
  C      -4.329092      7.315546      2.173395
  C      -5.099129      6.135906      2.347213
  C      -1.629953     -1.402585      4.322695
  C      -3.119758     -1.651771      4.279731
  O      -3.784502     -1.121473      3.077899
  C      -4.265730      0.102124      3.079754
  O      -3.994168      1.004015      3.891771
  C      -5.247081      0.343776      1.969251
  N      -6.275424     -0.489161      1.931085
  C      -7.192388     -0.260999      0.951092
  N      -7.138986      0.661141      0.009012
  C      -6.065634      1.502563      0.027048
  C      -5.942146      2.498902     -0.971716
  C      -4.871010      3.365177     -0.947350
  C      -3.887584      3.276155      0.068617
  C      -3.971910      2.312143      1.049583
  C      -5.060709      1.405685      1.045608
  C      -4.187408      0.023105      7.019964
  C      -4.999360      0.690669      8.135085
  O      -5.725186      1.840983      7.638403
  C      -6.875993      1.564632      6.981983
  O      -7.320276      0.439669      6.834700
  C      -7.523974      2.822105      6.459920
  N      -7.233185      3.942262      7.105670
  C      -7.819995      5.079969      6.657110
  N      -8.653746      5.203084      5.643189
  C      -8.961023      4.060163      4.964854
  C      -9.839888      4.144496      3.856690
  C     -10.148652      3.013434      3.133394
  C      -9.586933      1.762634      3.485236
  C      -8.733463      1.643781      4.563145
  C      -8.405531      2.788496      5.337230
  H      -2.690864      3.740144      8.162434
  H      -4.000395      3.049686      7.159415
  H      -2.902324      5.892435      6.786390
  H      -4.361211      5.424216      7.735866
  H      -7.238207      3.010065      2.641083
  H      -7.081313      6.387510     -0.453728
  H      -5.692292      8.449531     -0.739534
  H      -3.956229      9.029316      0.945838
  H      -3.567773      7.573165      2.907792
  H      -1.273407     -1.907335      5.248286
  H      -1.147896     -1.934077      3.480606
  H      -3.626261     -1.226280      5.146931
  H      -3.321728     -2.727632      4.226898
  H      -8.057480     -0.929774      0.950162
  H      -6.716902      2.558718     -1.736322
  H      -4.781452      4.140151     -1.709888
  H      -3.059361      3.986647      0.072444
  H      -3.214373      2.245830      1.829699
  H      -4.840139     -0.020666      6.136897
  H      -4.011166     -1.023639      7.342532
  H      -5.713550     -0.028194      8.557864
  H      -4.360703      1.088613      8.933742
  H      -7.567035      5.991581      7.206536
  H     -10.244238      5.123928      3.599523
  H     -10.819827      3.079644      2.275921
  H      -9.831002      0.879761      2.892322
  H      -8.312732      0.677299      4.830872
  N      -1.604975      2.678103      3.651903
  N      -1.319398      3.764517      3.019764
  H      -1.720186      4.659761      3.343612
  H      -0.927803      3.714511      2.077078
99
Coordinates from ORCA-job orca E -6706.995223216386
  N      -2.215428      3.347059      6.109595
  Mo     -2.235772      1.608895      5.007205
  N      -2.918178      0.640038      6.669470
  C      -1.875972      0.355168      7.658567
  C      -0.726016      1.348886      7.574209
  N      -0.337511      1.617332      6.153029
  C       0.217383      2.991486      5.999983
  C      -0.914311      4.007649      6.244855
  C       0.597490      0.575503      5.627088
  C       0.164066      0.230593      4.201695
  N      -1.269322     -0.004425      4.245669
  H      -0.802949      4.857741      5.552413
  H      -0.823928      4.428962      7.261526
  H       0.604171      3.066125      4.976393
  H       1.059056      3.138344      6.697579
  H       0.719376     -0.647751      3.832884
  H       0.377206      1.078481      3.528471
  H       0.495526     -0.314582      6.263263
  H       1.637203      0.931207      5.694941
  H      -2.259297      0.380656      8.695289
  H      -1.504418     -0.678882      7.498799
  H      -1.036577      2.302159      8.013427
  H       0.151799      0.986038      8.132639
  C      -3.146574      3.732240      7.146779
  C      -3.694019      5.144105      6.910551
  O      -4.544750      5.144414      5.735896
  C      -4.002085      5.455471      4.558789
  O      -2.861464      5.872702      4.383655
  C      -4.994459      5.240034      3.443597
  N      -5.744984      4.152917      3.541474
  C      -6.637809      3.934836      2.540810
  N      -6.868430      4.703440      1.495408
  C      -6.098994      5.823555      1.379226
  C      -6.298223      6.679554      0.268432
  C      -5.528139      7.813594      0.126648
  C      -4.539841      8.139495      1.087617
  C      -4.322497      7.328975      2.181862
  C      -5.092781      6.148780      2.350349
  C      -1.629875     -1.404581      4.323432
  C      -3.119664     -1.654032      4.283409
  O      -3.787053     -1.124960      3.082616
  C      -4.268158      0.098733      3.083447
  O      -3.994187      1.002224      3.893021
  C      -5.252257      0.338043      1.974948
  N      -6.278728     -0.497335      1.938820
  C      -7.197921     -0.271983      0.960387
  N      -7.148525      0.649940      0.017857
  C      -6.076988      1.493730      0.033417
  C      -5.957597      2.489377     -0.966522
  C      -4.887866      3.357453     -0.945614
  C      -3.901834      3.270903      0.068025
  C      -3.982319      2.307801      1.050272
  C      -5.069757      1.399691      1.050083
  C      -4.186737      0.023776      7.023263
  C      -4.998433      0.694530      8.136549
  O      -5.724138      1.843391      7.636334
  C      -6.873984      1.564826      6.979269
  O      -7.317593      0.439282      6.834412
  C      -7.522005      2.820503      6.452943
  N      -7.233375      3.942531      7.096409
  C      -7.821296      5.078405      6.644577
  N      -8.655052      5.197844      5.630226
  C      -8.959898      4.052984      4.954063
  C      -9.838487      4.133365      3.845375
  C     -10.144163      3.000367      3.123794
  C      -9.579491      1.751525      3.477881
  C      -8.726581      1.636457      4.556651
  C      -8.402066      2.783171      5.329195
  H      -2.691234      3.737223      8.161690
  H      -4.001317      3.049821      7.157307
  H      -2.899216      5.891525      6.788486
  H      -4.359184      5.424286      7.736717
  H      -7.232760      3.022342      2.631214
  H      -7.071732      6.410846     -0.451871
  H      -5.682358      8.473695     -0.728423
  H      -3.948289      9.047374      0.961078
  H      -3.561870      7.583894      2.917909
  H      -1.271242     -1.910010      5.247826
  H      -1.149567     -1.935197      3.479791
  H      -3.624421     -1.228084      5.151366
  H      -3.321447     -2.729987      4.231828
  H      -8.061144     -0.943210      0.960991
  H      -6.734247      2.546957     -1.729374
  H      -4.801504      4.131719     -1.709263
  H      -3.074518      3.982462      0.069191
  H      -3.222492      2.243431      1.828294
  H      -4.839572     -0.022144      6.140368
  H      -4.010688     -1.022200      7.348408
  H      -5.712699     -0.022943      8.561558
  H      -4.359630      1.094874      8.933896
  H      -7.569839      5.991709      7.191881
  H     -10.244949      5.111413      3.586275
  H     -10.815029      3.063553      2.265851
  H      -9.820799      0.867166      2.886055
  H      -8.303856      0.671332      4.826157
  N      -1.606691      2.675750      3.650950
  N      -1.324660      3.763216      3.019150
  H      -1.729230      4.657060      3.342209
  H      -0.931047      3.714676      2.077238
99
Coordinates from ORCA-job orca E -6706.995224387574
  N      -2.212693      3.346640      6.109501
  Mo     -2.233553      1.607942      5.007756
  N      -2.917569      0.639873      6.669691
  C      -1.876151      0.353989      7.659342
  C      -0.725374      1.346836      7.575810
  N      -0.335856      1.615263      6.154918
  C       0.219948      2.989130      6.002251
  C      -0.911165      4.006116      6.246457
  C       0.598822      0.572897      5.629473
  C       0.165633      0.227508      4.204107
  N      -1.268005     -0.006062      4.247594
  H      -0.798349      4.856485      5.554625
  H      -0.821470      4.426882      7.263415
  H       0.607466      3.063528      4.978920
  H       1.061319      3.135466      6.700333
  H       0.720204     -0.651632      3.836109
  H       0.379941      1.074733      3.530381
  H       0.496645     -0.316870      6.266071
  H       1.638651      0.928320      5.697175
  H      -2.260088      0.379624      8.695839
  H      -1.505400     -0.680342      7.499574
  H      -1.035393      2.300229      8.015101
  H       0.151844      0.983196      8.134671
  C      -3.144982      3.732532      7.145419
  C      -3.692602      5.143955      6.907499
  O      -4.544794      5.142046      5.733722
  C      -4.003734      5.451190      4.555339
  O      -2.863443      5.868473      4.378110
  C      -4.997888      5.235360      3.441686
  N      -5.746653      4.147005      3.539594
  C      -6.641274      3.929020      2.540394
  N      -6.874988      4.698638      1.496483
  C      -6.107674      5.820240      1.380424
  C      -6.310837      6.677775      0.271539
  C      -5.543223      7.813545      0.130144
  C      -4.553617      8.139711      1.089640
  C      -4.332427      7.327676      2.182014
  C      -5.099986      6.145641      2.349950
  C      -1.630312     -1.405808      4.325001
  C      -3.120513     -1.653219      4.286167
  O      -3.788026     -1.124840      3.085147
  C      -4.266765      0.099781      3.083831
  O      -3.990609      1.004329      3.891489
  C      -5.250688      0.339111      1.975221
  N      -6.277589     -0.495716      1.939082
  C      -7.196830     -0.269759      0.960884
  N      -7.147180      0.652193      0.018431
  C      -6.075150      1.495356      0.033816
  C      -5.955134      2.490382     -0.966644
  C      -4.884421      3.357239     -0.946714
  C      -3.897983      3.269997      0.066453
  C      -3.979141      2.307512      1.049316
  C      -5.067617      1.400628      1.050180
  C      -4.186644      0.024002      7.022338
  C      -4.998885      0.694895      8.135181
  O      -5.723765      1.844304      7.634919
  C      -6.872903      1.566655      6.976300
  O      -7.318111      0.441641      6.832180
  C      -7.520614      2.823093      6.451482
  N      -7.231698      3.944312      7.096220
  C      -7.819036      5.080906      6.645361
  N      -8.652678      5.201652      5.631067
  C      -8.957330      4.057711      4.953259
  C      -9.834981      4.139669      3.843935
  C     -10.139679      3.007758      3.120221
  C      -9.575060      1.758466      3.472835
  C      -8.723285      1.641830      4.552336
  C      -8.399754      2.787381      5.326984
  H      -2.690843      3.738057      8.160885
  H      -3.999714      3.050136      7.155299
  H      -2.898023      5.891272      6.783342
  H      -4.356917      5.425537      7.733861
  H      -7.233981      3.015062      2.630226
  H      -7.085290      6.408893     -0.447679
  H      -5.700548      8.474801     -0.723469
  H      -3.964195      9.049031      0.963509
  H      -3.570857      7.583017      2.916896
  H      -1.271620     -1.911785      5.249049
  H      -1.151377     -1.936769      3.480789
  H      -3.624093     -1.225503      5.154092
  H      -3.323782     -2.728960      4.236071
  H      -8.060332     -0.940581      0.961508
  H      -6.732072      2.548348     -1.729174
  H      -4.797584      4.130932     -1.710914
  H      -3.069649      3.980372      0.066835
  H      -3.218894      2.242702      1.826876
  H      -4.838682     -0.021556      6.138862
  H      -4.011239     -1.022127      7.347270
  H      -5.713693     -0.022259      8.559818
  H      -4.360300      1.094910      8.932869
  H      -7.567333      5.993574      7.193601
  H     -10.241338      5.118052      3.585942
  H     -10.809773      3.072164      2.261764
  H      -9.815525      0.875026      2.879317
  H      -8.300741      0.676284      4.820611
  N      -1.602318      2.674388      3.651786
  N      -1.320775      3.762868      3.021635
  H      -1.728822      4.655602      3.343271
  H      -0.923310      3.715796      2.081269
99
Coordinates from ORCA-job orca E -6706.995226175102
  N      -2.213418      3.347250      6.109778
  Mo     -2.233457      1.608952      5.007289
  N      -2.917922      0.639812      6.668417
  C      -1.876637      0.353526      7.658133
  C      -0.726075      1.346690      7.575681
  N      -0.336087      1.616127      6.155152
  C       0.219413      2.990225      6.003473
  C      -0.912045      4.006882      6.247622
  C       0.599037      0.574341      5.629430
  C       0.166403      0.229673      4.203738
  N      -1.267170     -0.004226      4.246630
  H      -0.799086      4.857557      5.556192
  H      -0.822886      4.427239      7.264792
  H       0.607407      3.065237      4.980366
  H       1.060432      3.136393      6.702016
  H       0.721293     -0.649122      3.835410
  H       0.380765      1.077353      3.530583
  H       0.496964     -0.315832      6.265483
  H       1.638753      0.930008      5.697623
  H      -2.260900      0.378399      8.694530
  H      -1.505632     -0.680620      7.497772
  H      -1.036474      2.299707      8.015485
  H       0.150984      0.982867      8.134681
  C      -3.146181      3.732232      7.145654
  C      -3.694453      5.143541      6.908476
  O      -4.546917      5.141832      5.734811
  C      -4.005897      5.451487      4.556567
  O      -2.865564      5.868886      4.379696
  C      -4.999279      5.234908      3.442337
  N      -5.750346      4.148284      3.541974
  C      -6.644046      3.929480      2.542135
  N      -6.874503      4.696641      1.495703
  C      -6.104851      5.816450      1.377822
  C      -6.304834      6.671485      0.266435
  C      -5.535022      7.805546      0.123294
  C      -4.546310      8.132438      1.083453
  C      -4.328244      7.322860      2.178289
  C      -5.098170      6.142653      2.348146
  C      -1.629425     -1.404074      4.322056
  C      -3.119595     -1.651500      4.282631
  O      -3.786950     -1.122107      3.081936
  C      -4.265811      0.102478      3.081600
  O      -3.989614      1.006441      3.889851
  C      -5.249559      0.342920      1.973071
  N      -6.278041     -0.489942      1.937769
  C      -7.197108     -0.262787      0.959637
  N      -7.146212      0.658804      0.016938
  C      -6.072676      1.500067      0.031653
  C      -5.951424      2.494810     -0.968921
  C      -4.879166      3.359790     -0.949580
  C      -3.892290      3.270817      0.062981
  C      -3.974705      2.308599      1.046007
  C      -5.064793      1.403666      1.047490
  C      -4.186910      0.023628      7.020892
  C      -4.998643      0.693397      8.134830
  O      -5.724390      1.843134      7.636486
  C      -6.875383      1.565938      6.980879
  O      -7.320248      0.440892      6.835898
  C      -7.522815      2.822308      6.455596
  N      -7.232151      3.944032      7.098630
  C      -7.819694      5.080462      6.647575
  N      -8.655031      5.200565      5.634601
  C      -8.961538      4.056044      4.958602
  C      -9.841224      4.137204      3.850831
  C     -10.147938      3.004601      3.129042
  C      -9.583353      1.755407      3.482056
  C      -8.729504      1.639595      4.560005
  C      -8.403932      2.785860      5.332701
  H      -2.692339      3.737323      8.161257
  H      -4.000592      3.049462      7.154935
  H      -2.900278      5.891310      6.784526
  H      -4.358757      5.424457      7.735066
  H      -7.239095      3.017257      2.633866
  H      -7.078651      6.402173     -0.453292
  H      -5.689908      8.464860     -0.732267
  H      -3.955097      9.040388      0.955860
  H      -3.567333      7.578782      2.913645
  H      -1.270903     -1.911231      5.245531
  H      -1.150284     -1.933887      3.477239
  H      -3.623365     -1.224567      5.150866
  H      -3.322768     -2.727214      4.231547
  H      -8.061869     -0.931956      0.960868
  H      -6.728639      2.554076     -1.731069
  H      -4.791384      4.133239     -1.713911
  H      -3.062550      3.979544      0.062765
  H      -3.214181      2.242478      1.823204
  H      -4.839304     -0.021328      6.137666
  H      -4.011205     -1.022749      7.344837
  H      -5.712894     -0.024340      8.559421
  H      -4.359501      1.092815      8.932368
  H      -7.566289      5.993619      7.194201
  H     -10.247558      5.115500      3.592474
  H     -10.819663      3.068363      2.271811
  H      -9.825517      0.871385      2.890106
  H      -8.306977      0.674104      4.828542
  N      -1.602151      2.676170      3.651752
  N      -1.321537      3.765401      3.022597
  H      -1.728239      4.658037      3.346271
  H      -0.924805      3.719620      2.081870
99
Coordinates from ORCA-job orca E -6706.995226778008
  N      -2.213665      3.347313      6.109165
  Mo     -2.233782      1.608570      5.007231
  N      -2.917909      0.640034      6.668850
  C      -1.876259      0.354503      7.658475
  C      -0.725932      1.347894      7.575378
  N      -0.336108      1.616613      6.154682
  C       0.219151      2.990694      6.002159
  C      -0.912377      4.007236      6.246266
  C       0.599026      0.574715      5.629256
  C       0.166273      0.229588      4.203713
  N      -1.267242     -0.004431      4.246815
  H      -0.799817      4.857648      5.554418
  H      -0.822952      4.428011      7.263242
  H       0.606741      3.065270      4.978863
  H       1.060408      3.137342      6.700317
  H       0.721206     -0.649261      3.835585
  H       0.380502      1.077101      3.530297
  H       0.497111     -0.315257      6.265607
  H       1.638721      0.930489      5.697174
  H      -2.260285      0.379683      8.694947
  H      -1.505013     -0.679595      7.498407
  H      -1.036520      2.301101      8.014687
  H       0.151207      0.984550      8.134566
  C      -3.145812      3.732029      7.145712
  C      -3.693942      5.143558      6.909586
  O      -4.546470      5.142816      5.735999
  C      -4.005376      5.453631      4.558151
  O      -2.865130      5.871578      4.381851
  C      -4.998230      5.237086      3.443537
  N      -5.749586      4.150686      3.543152
  C      -6.642483      3.931494      2.542708
  N      -6.872100      4.698262      1.495807
  C      -6.102129      5.817850      1.377940
  C      -6.300961      6.672235      0.265858
  C      -5.530581      7.805896      0.122543
  C      -4.542380      8.132963      1.083167
  C      -4.325418      7.323988      2.178674
  C      -5.096018      6.144268      2.348783
  C      -1.629488     -1.404348      4.321044
  C      -3.119589     -1.651975      4.281869
  O      -3.787534     -1.122102      3.081739
  C      -4.266815      0.102343      3.082262
  O      -3.989888      1.006287      3.890281
  C      -5.251414      0.342932      1.974531
  N      -6.280187     -0.489602      1.940190
  C      -7.199769     -0.262465      0.962507
  N      -7.149073      0.658738      0.019409
  C      -6.075186      1.499583      0.033128
  C      -5.954264      2.494122     -0.967691
  C      -4.881862      3.358966     -0.949008
  C      -3.894586      3.270131      0.063157
  C      -3.976684      2.308125      1.046398
  C      -5.066886      1.403336      1.048542
  C      -4.186705      0.023826      7.022025
  C      -4.998517      0.693993      8.135623
  O      -5.724591      1.843144      7.636438
  C      -6.874783      1.564936      6.979836
  O      -7.318642      0.439510      6.834725
  C      -7.523537      2.820886      6.455126
  N      -7.235183      3.942358      7.099631
  C      -7.824049      5.078380      6.649286
  N      -8.658675      5.198312      5.635723
  C      -8.962849      4.054069      4.958204
  C      -9.841791      4.135119      3.849839
  C     -10.146231      3.002848      3.126571
  C      -9.580013      1.754134      3.478638
  C      -8.726858      1.638418      4.557156
  C      -8.403676      2.784307      5.331422
  H      -2.691428      3.736584      8.161065
  H      -4.000314      3.049353      7.155199
  H      -2.899719      5.891325      6.785995
  H      -4.358120      5.423999      7.736443
  H      -7.238028      3.019592      2.634645
  H      -7.074350      6.402802     -0.454285
  H      -5.684610      8.464732     -0.733542
  H      -3.950653      9.040551      0.955366
  H      -3.564814      7.579979      2.914331
  H      -1.270630     -1.912323      5.243943
  H      -1.150556     -1.933350      3.475609
  H      -3.623101     -1.225635      5.150468
  H      -3.322547     -2.727707      4.230296
  H      -8.064804     -0.931292      0.964517
  H      -6.731842      2.553366     -1.729468
  H      -4.794367      4.132244     -1.713531
  H      -3.064791      3.978789      0.062500
  H      -3.215823      2.242077      1.823282
  H      -4.839272     -0.021870      6.138926
  H      -4.010697     -1.022322      7.346572
  H      -5.712591     -0.023724      8.560530
  H      -4.359530      1.094040      8.932969
  H      -7.572547      5.991308      7.197179
  H     -10.249381      5.113088      3.592216
  H     -10.817329      3.066557      2.268844
  H      -9.820339      0.870406      2.885494
  H      -8.303053      0.673277      4.824885
  N      -1.603375      2.675624      3.650943
  N      -1.324205      3.765261      3.021937
  H      -1.729816      4.657868      3.347194
  H      -0.928625      3.720241      2.080681
99
Coordinates from ORCA-job orca E -6706.995227707865
  N      -2.212715      3.346932      6.108644
  Mo     -2.232901      1.607803      5.007140
  N      -2.917977      0.640033      6.668810
  C      -1.876531      0.354347      7.658673
  C      -0.725997      1.347514      7.575871
  N      -0.335530      1.615819      6.155293
  C       0.220031      2.989752      6.002530
  C      -0.911317      4.006571      6.246159
  C       0.599560      0.573598      5.630460
  C       0.167115      0.228012      4.204924
  N      -1.266463     -0.005491      4.247668
  H      -0.798307      4.856931      5.554319
  H      -0.822167      4.427372      7.263150
  H       0.607793      3.063966      4.979272
  H       1.061215      3.136441      6.700771
  H       0.721860     -0.651194      3.837376
  H       0.381887      1.075159      3.531204
  H       0.497425     -0.316110      6.267140
  H       1.639288      0.929270      5.698389
  H      -2.260759      0.379483      8.695064
  H      -1.505412     -0.679777      7.498517
  H      -1.036564      2.300870      8.014875
  H       0.150786      0.984067      8.135554
  C      -3.144999      3.731862      7.145014
  C      -3.692951      5.143410      6.908778
  O      -4.545754      5.142448      5.735400
  C      -4.004943      5.452575      4.557268
  O      -2.864884      5.870880      4.380475
  C      -4.998350      5.236155      3.443157
  N      -5.748961      4.149246      3.542743
  C      -6.642423      3.930010      2.542821
  N      -6.873443      4.697291      1.496620
  C      -6.104221      5.817392      1.378746
  C      -6.304376      6.672190      0.267229
  C      -5.534637      7.806280      0.123805
  C      -4.545838      8.133399      1.083788
  C      -4.327603      7.324034      2.178761
  C      -5.097443      6.143824      2.348907
  C      -1.629462     -1.405263      4.321005
  C      -3.119669     -1.652185      4.281743
  O      -3.787387     -1.122208      3.081560
  C      -4.266141      0.102464      3.081839
  O      -3.988295      1.006647      3.889249
  C      -5.250877      0.343224      1.974300
  N      -6.279155     -0.489898      1.939237
  C      -7.198609     -0.262694      0.961432
  N      -7.147959      0.658840      0.018628
  C      -6.074491      1.500216      0.033058
  C      -5.953523      2.495086     -0.967438
  C      -4.881633      3.360573     -0.947852
  C      -3.895037      3.272163      0.064987
  C      -3.977125      2.309794      1.047847
  C      -5.066701      1.404248      1.048982
  C      -4.187065      0.024449      7.021991
  C      -4.998661      0.695185      8.135393
  O      -5.724426      1.844354      7.635790
  C      -6.874903      1.566207      6.979643
  O      -7.319293      0.440887      6.835366
  C      -7.523054      2.822077      6.454007
  N      -7.233831      3.943950      7.097409
  C      -7.822085      5.079935      6.646148
  N      -8.656809      5.199468      5.632627
  C      -8.961944      4.054783      4.956286
  C      -9.841104      4.135366      3.848063
  C     -10.146643      3.002574      3.126072
  C      -9.581360      1.753773      3.479323
  C      -8.727980      1.638522      4.557721
  C      -8.403611      2.784985      5.330636
  H      -2.690774      3.736373      8.160440
  H      -3.999599      3.049304      7.154411
  H      -2.898695      5.891082      6.784858
  H      -4.356919      5.424081      7.735730
  H      -7.237196      3.017581      2.634598
  H      -7.078197      6.402743     -0.452449
  H      -5.689689      8.465436     -0.731848
  H      -3.954667      9.041337      0.955909
  H      -3.566566      7.580098      2.913941
  H      -1.270879     -1.913898      5.243651
  H      -1.150760     -1.934032      3.475298
  H      -3.622974     -1.225541      5.150312
  H      -3.323064     -2.727841      4.230323
  H      -8.063354     -0.931904      0.962880
  H      -6.730687      2.554092     -1.729653
  H      -4.794166      4.134103     -1.712113
  H      -3.065830      3.981508      0.065259
  H      -3.216758      2.244081      1.825239
  H      -4.839565     -0.021174      6.138816
  H      -4.011526     -1.021721      7.346728
  H      -5.712922     -0.022179      8.560575
  H      -4.359514      1.095342      8.932554
  H      -7.569941      5.993182      7.193212
  H     -10.248000      5.113382      3.589525
  H     -10.817899      3.065926      2.268443
  H      -9.822584      0.869604      2.887203
  H      -8.304915      0.673305      4.826351
  N      -1.601829      2.674596      3.650760
  N      -1.323442      3.764815      3.022459
  H      -1.729871      4.656988      3.347896
  H      -0.926595      3.720746      2.081688
