98
Coordinates from ORCA-job orca E -6706.160901843941
  N      -2.407235      3.252236      5.889948
  Mo     -2.668902      1.418142      5.083082
  N      -3.173405      0.380114      6.685714
  C      -2.203678      0.069266      7.718746
  C      -1.207800      1.209383      7.898610
  N      -0.575864      1.580259      6.630962
  C      -0.103499      2.959137      6.639984
  C      -1.081936      3.809732      5.794561
  C       0.433527      0.630776      6.170825
  C       0.111598      0.365895      4.686990
  N      -1.290406      0.059210      4.667310
  H      -0.752128      3.789390      4.750520
  H      -1.044772      4.849726      6.135980
  H       0.895539      3.034935      6.208737
  H      -0.066114      3.348390      7.661829
  H       0.730635     -0.442413      4.282772
  H       0.305535      1.278952      4.107584
  H       0.338900     -0.309299      6.718853
  H       1.449428      1.013329      6.300299
  H      -2.691412     -0.105257      8.686227
  H      -1.678245     -0.862664      7.447490
  H      -1.768118      2.074647      8.262491
  H      -0.451552      0.931760      8.645317
  C      -3.304953      4.084298      6.648592
  C      -3.634949      5.439212      5.956933
  O      -4.789723      5.334207      5.124228
  C      -4.629962      5.179204      3.791816
  O      -3.544908      5.275441      3.231829
  C      -5.914825      4.919573      3.121740
  N      -6.746118      4.077165      3.739609
  C      -7.913478      3.859977      3.144330
  N      -8.360992      4.387261      2.037108
  C      -7.548486      5.265163      1.396037
  C      -7.992780      5.878189      0.213774
  C      -7.177156      6.767094     -0.439666
  C      -5.903615      7.069489      0.060764
  C      -5.444340      6.484750      1.214371
  C      -6.252990      5.568061      1.906666
  C      -1.613876     -1.326708      4.483880
  C      -1.982344     -1.608896      2.999854
  O      -2.344185     -0.409134      2.323098
  C      -3.367406      0.331533      2.853293
  O      -4.034545     -0.124666      3.816356
  C      -3.894557      1.297755      1.878319
  N      -5.168922      1.645341      2.101815
  C      -5.731815      2.522968      1.280895
  N      -5.182125      3.111950      0.259285
  C      -3.896412      2.778620     -0.019276
  C      -3.280093      3.396343     -1.121685
  C      -1.993305      3.071886     -1.461250
  C      -1.288406      2.122403     -0.712447
  C      -1.864738      1.509120      0.371903
  C      -3.184372      1.816991      0.759142
  C      -4.350632     -0.436160      6.837303
  C      -5.341897      0.064006      7.908976
  O      -5.828421      1.370047      7.624747
  C      -6.794506      1.491464      6.695105
  O      -7.208005      0.546123      6.031285
  C      -7.309861      2.865281      6.654123
  N      -6.467516      3.797966      7.097715
  C      -6.927713      5.044366      7.146095
  N      -8.110004      5.471964      6.802379
  C      -8.996043      4.549524      6.360035
  C     -10.293673      4.958907      6.005077
  C     -11.216894      4.030002      5.599554
  C     -10.880140      2.670563      5.536436
  C      -9.618057      2.242575      5.865689
  C      -8.643497      3.170177      6.275391
  H      -2.864634      4.336156      7.626867
  H      -4.255548      3.570868      6.815626
  H      -2.800399      5.788813      5.339194
  H      -3.887667      6.194706      6.702575
  H      -8.562346      3.144863      3.636378
  H      -8.977015      5.628943     -0.148397
  H      -7.515724      7.241806     -1.347072
  H      -5.277017      7.770966     -0.467450
  H      -4.458779      6.706999      1.595215
  H      -2.480195     -1.577825      5.106879
  H      -0.774241     -1.976288      4.758780
  H      -2.809157     -2.324784      2.937922
  H      -1.126683     -1.976213      2.430646
  H      -6.758220      2.750527      1.492200
  H      -3.858395      4.115602     -1.679158
  H      -1.521473      3.542704     -2.309329
  H      -0.277058      1.871054     -0.990986
  H      -1.303252      0.777943      0.927582
  H      -4.891599     -0.465076      5.887238
  H      -4.084642     -1.467208      7.120839
  H      -6.184622     -0.633695      7.955925
  H      -4.872409      0.159278      8.889167
  H      -6.235085      5.785323      7.524262
  H     -10.530233      6.008349      6.075364
  H     -12.215015      4.340228      5.333581
  H     -11.622603      1.952216      5.225753
  H      -9.355350      1.197008      5.809384
  N      -2.466932      2.263566      3.138509
  N      -2.348215      2.760501      1.995501
  H      -1.386325      2.678781      1.647990
98
Coordinates from ORCA-job orca E -6706.212156728840
  N      -2.408906      3.249757      5.900585
  Mo     -2.653820      1.416517      5.103594
  N      -3.148471      0.368853      6.702188
  C      -2.168088      0.065170      7.733667
  C      -1.184548      1.216285      7.915045
  N      -0.556925      1.596906      6.642577
  C      -0.098247      2.984448      6.646022
  C      -1.087097      3.821368      5.798990
  C       0.460362      0.655246      6.177740
  C       0.133985      0.389654      4.695815
  N      -1.266811      0.067194      4.680567
  H      -0.757599      3.800955      4.751438
  H      -1.061640      4.865200      6.135915
  H       0.900922      3.068896      6.210853
  H      -0.060962      3.376246      7.669302
  H       0.758682     -0.414356      4.286538
  H       0.318694      1.306762      4.115666
  H       0.376524     -0.287889      6.726950
  H       1.475224      1.048382      6.304728
  H      -2.652970     -0.118091      8.703167
  H      -1.632415     -0.862513      7.458907
  H      -1.752633      2.077270      8.282573
  H      -0.421842      0.945609      8.661097
  C      -3.329264      4.065768      6.660097
  C      -3.678935      5.418291      5.980132
  O      -4.830862      5.319015      5.136685
  C      -4.652732      5.182531      3.804884
  O      -3.564386      5.273172      3.254952
  C      -5.940868      4.944898      3.112583
  N      -6.791702      4.110688      3.711291
  C      -7.964121      3.908861      3.094379
  N      -8.389495      4.455951      1.978334
  C      -7.547938      5.326918      1.357900
  C      -7.960924      5.955812      0.166781
  C      -7.115654      6.834533     -0.469682
  C      -5.840007      7.113221      0.056461
  C      -5.410527      6.515658      1.218504
  C      -6.251143      5.606942      1.894515
  C      -1.589018     -1.323997      4.498406
  C      -1.970453     -1.624969      3.019613
  O      -2.351900     -0.436837      2.326304
  C      -3.371167      0.296736      2.859474
  O      -4.014588     -0.141314      3.843459
  C      -3.924214      1.248730      1.878234
  N      -5.186317      1.582907      2.112859
  C      -5.773187      2.462025      1.287472
  N      -5.233834      3.056484      0.252845
  C      -3.945942      2.731422     -0.038316
  C      -3.350064      3.347861     -1.153145
  C      -2.060406      3.027678     -1.522899
  C      -1.332707      2.075545     -0.791652
  C      -1.879790      1.457352      0.313608
  C      -3.207429      1.775022      0.745015
  C      -4.331077     -0.454889      6.837255
  C      -5.331528      0.024742      7.908440
  O      -5.826157      1.340159      7.651286
  C      -6.786277      1.481888      6.713339
  O      -7.184207      0.557313      6.016775
  C      -7.311215      2.866351      6.697385
  N      -6.486610      3.794187      7.180376
  C      -6.953094      5.047804      7.246950
  N      -8.136302      5.479216      6.883331
  C      -9.005242      4.555065      6.398879
  C     -10.300348      4.964309      6.017560
  C     -11.207988      4.036305      5.565203
  C     -10.858101      2.675406      5.478944
  C      -9.599027      2.246589      5.832340
  C      -8.639306      3.174249      6.292104
  H      -2.894768      4.319532      7.643121
  H      -4.272889      3.532653      6.824191
  H      -2.843457      5.785476      5.371750
  H      -3.946298      6.161954      6.737034
  H      -8.634052      3.197293      3.577401
  H      -8.947294      5.724379     -0.216765
  H      -7.431252      7.320856     -1.385709
  H      -5.188717      7.808676     -0.460605
  H      -4.423938      6.719979      1.617750
  H      -2.449162     -1.578565      5.129049
  H      -0.741425     -1.966738      4.771957
  H      -2.793345     -2.349211      2.976923
  H      -1.116447     -1.994474      2.445406
  H      -6.807798      2.685596      1.513377
  H      -3.948117      4.065882     -1.703383
  H      -1.608416      3.501221     -2.386800
  H      -0.324183      1.823614     -1.098881
  H      -1.301622      0.721232      0.853564
  H      -4.865228     -0.473016      5.881919
  H      -4.063771     -1.491047      7.108290
  H      -6.171103     -0.681091      7.935430
  H      -4.868880      0.103463      8.896288
  H      -6.265976      5.786434      7.656899
  H     -10.547730      6.015476      6.105050
  H     -12.205769      4.348025      5.278239
  H     -11.590234      1.956268      5.129721
  H      -9.327069      1.200681      5.757275
  N      -2.428430      2.297858      3.191430
  N      -2.319059      2.793879      2.048257
  H      -1.342907      2.733403      1.695681
98
Coordinates from ORCA-job orca E -6706.249925081678
  N      -2.378947      3.251799      5.901109
  Mo     -2.633628      1.425529      5.114823
  N      -3.131993      0.375449      6.710832
  C      -2.144529      0.066513      7.738695
  C      -1.157038      1.213079      7.918928
  N      -0.530004      1.593668      6.641134
  C      -0.066770      2.983705      6.639108
  C      -1.055130      3.821116      5.792154
  C       0.481283      0.645407      6.169157
  C       0.145119      0.384653      4.689722
  N      -1.258237      0.065555      4.679861
  H      -0.727920      3.797695      4.741652
  H      -1.028385      4.867940      6.125299
  H       0.932957      3.063340      6.199688
  H      -0.023418      3.375598      7.664002
  H       0.763152     -0.423247      4.273476
  H       0.332402      1.303187      4.109631
  H       0.395974     -0.299256      6.719176
  H       1.500116      1.034977      6.292805
  H      -2.627788     -0.117772      8.710809
  H      -1.613175     -0.864542      7.460568
  H      -1.718893      2.078595      8.289715
  H      -0.391089      0.939228      8.663047
  C      -3.312944      4.057724      6.664234
  C      -3.676390      5.410747      6.004602
  O      -4.831696      5.316541      5.159472
  C      -4.645741      5.197857      3.828122
  O      -3.561177      5.285011      3.275774
  C      -5.944311      4.971196      3.131452
  N      -6.797159      4.144185      3.730116
  C      -7.980305      3.944138      3.111645
  N      -8.404364      4.496686      1.991014
  C      -7.551513      5.361448      1.371920
  C      -7.957627      5.991860      0.174441
  C      -7.102261      6.861800     -0.465300
  C      -5.820057      7.132491      0.063323
  C      -5.396427      6.536106      1.230713
  C      -6.249417      5.634423      1.910723
  C      -1.598589     -1.325128      4.497781
  C      -1.998331     -1.637311      3.026220
  O      -2.384495     -0.454513      2.319231
  C      -3.388319      0.285022      2.856916
  O      -4.013342     -0.123129      3.864707
  C      -3.949934      1.236808      1.873578
  N      -5.196495      1.580481      2.119115
  C      -5.788013      2.472012      1.292548
  N      -5.242586      3.064038      0.253133
  C      -3.957777      2.724339     -0.042235
  C      -3.362521      3.338314     -1.162406
  C      -2.077967      3.004356     -1.547679
  C      -1.354646      2.034713     -0.826225
  C      -1.896158      1.417696      0.285693
  C      -3.218772      1.758474      0.740436
  C      -4.327040     -0.442384      6.841067
  C      -5.322696      0.035215      7.914196
  O      -5.820647      1.358333      7.669835
  C      -6.787920      1.487923      6.732998
  O      -7.179741      0.560323      6.043006
  C      -7.330148      2.878583      6.702013
  N      -6.520923      3.823274      7.171040
  C      -7.000853      5.081768      7.213329
  N      -8.192404      5.495110      6.836112
  C      -9.046550      4.545714      6.364558
  C     -10.347547      4.931988      5.966458
  C     -11.242026      3.983233      5.522956
  C     -10.872903      2.621173      5.461462
  C      -9.608604      2.213187      5.830832
  C      -8.661415      3.163951      6.283792
  H      -2.879108      4.305149      7.651159
  H      -4.251682      3.511492      6.826814
  H      -2.842554      5.794704      5.402631
  H      -3.951610      6.140116      6.775964
  H      -8.655389      3.236194      3.600015
  H      -8.948614      5.766454     -0.212016
  H      -7.413574      7.348426     -1.387407
  H      -5.160027      7.822541     -0.458165
  H      -4.405668      6.734722      1.630225
  H      -2.454372     -1.572250      5.137206
  H      -0.751207     -1.972169      4.767886
  H      -2.826545     -2.358237      3.003062
  H      -1.152218     -2.019486      2.445794
  H      -6.824589      2.709269      1.526951
  H      -3.960731      4.067449     -1.706333
  H      -1.627801      3.476832     -2.417940
  H      -0.350230      1.767059     -1.147583
  H      -1.321179      0.667534      0.816094
  H      -4.861531     -0.454078      5.885455
  H      -4.063729     -1.482839      7.106123
  H      -6.164645     -0.670429      7.937634
  H      -4.857098      0.104610      8.903635
  H      -6.317378      5.836721      7.610485
  H     -10.609831      5.985124      6.033781
  H     -12.245105      4.279058      5.222715
  H     -11.595994      1.884619      5.117622
  H      -9.322846      1.167041      5.773764
  N      -2.362251      2.345950      3.246890
  N      -2.260216      2.830150      2.120285
  H      -1.279557      2.773431      1.762184
98
Coordinates from ORCA-job orca E -6706.277165418417
  N      -2.385770      3.247532      5.892069
  Mo     -2.621128      1.424030      5.117759
  N      -3.121127      0.366695      6.709723
  C      -2.131190      0.064852      7.739371
  C      -1.155743      1.219733      7.923454
  N      -0.525519      1.607195      6.645677
  C      -0.076275      3.005248      6.640705
  C      -1.067958      3.830935      5.786080
  C       0.494528      0.664746      6.174355
  C       0.163404      0.402694      4.695039
  N      -1.237346      0.069245      4.681015
  H      -0.734415      3.807890      4.736691
  H      -1.056390      4.880864      6.114333
  H       0.925759      3.091892      6.205257
  H      -0.039668      3.397499      7.666694
  H       0.787689     -0.401318      4.277710
  H       0.345837      1.323428      4.115289
  H       0.415295     -0.280994      6.725324
  H       1.510557      1.063529      6.302273
  H      -2.616353     -0.125382      8.710667
  H      -1.591678     -0.862886      7.462467
  H      -1.724131      2.082771      8.292352
  H      -0.388508      0.953647      8.670418
  C      -3.347782      4.031267      6.649237
  C      -3.730085      5.381412      6.004565
  O      -4.879215      5.285236      5.145297
  C      -4.675546      5.190043      3.815596
  O      -3.589650      5.282423      3.270585
  C      -5.977201      4.976857      3.102489
  N      -6.837121      4.151329      3.686912
  C      -8.020718      3.957090      3.055175
  N      -8.432722      4.521253      1.933243
  C      -7.565845      5.384553      1.328891
  C      -7.955103      6.022141      0.127088
  C      -7.086418      6.887151     -0.502612
  C      -5.805134      7.147733      0.040400
  C      -5.397647      6.546778      1.212022
  C      -6.266219      5.648523      1.881798
  C      -1.574606     -1.324653      4.499632
  C      -1.977381     -1.654827      3.034254
  O      -2.379342     -0.483335      2.310360
  C      -3.381208      0.252304      2.843399
  O      -3.990436     -0.129805      3.872792
  C      -3.954048      1.198094      1.854180
  N      -5.197220      1.536572      2.109230
  C      -5.798613      2.428265      1.283178
  N      -5.252875      3.024846      0.244175
  C      -3.966761      2.689367     -0.052036
  C      -3.377875      3.313223     -1.174248
  C      -2.096572      2.983880     -1.568531
  C      -1.370049      2.005716     -0.855141
  C      -1.903247      1.382645      0.257127
  C      -3.218963      1.724910      0.726522
  C      -4.318423     -0.455937      6.826133
  C      -5.315795      0.002109      7.902224
  O      -5.820918      1.333823      7.692381
  C      -6.785009      1.485612      6.753357
  O      -7.166679      0.585939      6.025436
  C      -7.330369      2.884171      6.764734
  N      -6.532562      3.809507      7.281152
  C      -7.011710      5.071581      7.355185
  N      -8.196539      5.500061      6.966870
  C      -9.039179      4.564197      6.444968
  C     -10.331142      4.966496      6.027869
  C     -11.215733      4.035352      5.528098
  C     -10.845060      2.673784      5.426601
  C      -9.589798      2.250284      5.812833
  C      -8.652832      3.184163      6.325457
  H      -2.926732      4.276511      7.643513
  H      -4.276064      3.462152      6.802099
  H      -2.895840      5.790419      5.418892
  H      -4.026562      6.092405      6.786565
  H      -8.703805      3.249448      3.537170
  H      -8.945149      5.803947     -0.271478
  H      -7.385247      7.378233     -1.428882
  H      -5.133982      7.835027     -0.474673
  H      -4.407977      6.738022      1.621476
  H      -2.425947     -1.575067      5.143477
  H      -0.720732     -1.963643      4.772746
  H      -2.800131     -2.383270      3.024951
  H      -1.130676     -2.038290      2.454167
  H      -6.837873      2.663708      1.521722
  H      -3.982617      4.045668     -1.710873
  H      -1.650604      3.461962     -2.440338
  H      -0.366588      1.736291     -1.185181
  H      -1.325064      0.626886      0.779034
  H      -4.846011     -0.458325      5.866745
  H      -4.054106     -1.500094      7.079417
  H      -6.154932     -0.708264      7.910262
  H      -4.852607      0.052877      8.895143
  H      -6.332387      5.811694      7.789636
  H     -10.594380      6.019134      6.125261
  H     -12.212273      4.344524      5.212566
  H     -11.560899      1.950152      5.036927
  H      -9.303526      1.205347      5.723721
  N      -2.302627      2.381018      3.300154
  N      -2.206803      2.858220      2.191951
  H      -1.224351      2.820483      1.827275
98
Coordinates from ORCA-job orca E -6706.295920303445
  N      -2.335697      3.254946      5.892166
  Mo     -2.597704      1.437010      5.131900
  N      -3.104997      0.387408      6.729185
  C      -2.108819      0.080870      7.751685
  C      -1.119636      1.223487      7.922989
  N      -0.491669      1.598517      6.637884
  C      -0.028502      2.994352      6.623281
  C      -1.015733      3.828152      5.772906
  C       0.512132      0.640375      6.157003
  C       0.165584      0.379488      4.681211
  N      -1.238251      0.058564      4.679125
  H      -0.688862      3.800534      4.721498
  H      -0.995247      4.879940      6.097122
  H       0.972859      3.066926      6.182225
  H       0.019724      3.386226      7.649362
  H       0.775868     -0.433374      4.258592
  H       0.354947      1.296794      4.097373
  H       0.426057     -0.302951      6.711892
  H       1.533915      1.028496      6.277758
  H      -2.588957     -0.100841      8.727891
  H      -1.582265     -0.855122      7.475764
  H      -1.671706      2.097884      8.291055
  H      -0.349385      0.952910      8.665936
  C      -3.295623      4.033526      6.660338
  C      -3.682234      5.390486      6.044549
  O      -4.842369      5.308644      5.195637
  C      -4.646060      5.234342      3.865023
  O      -3.565435      5.317411      3.310100
  C      -5.961836      5.043370      3.160406
  N      -6.825769      4.231025      3.752916
  C      -8.018091      4.047637      3.129143
  N      -8.431063      4.615094      2.009216
  C      -7.555384      5.464231      1.396389
  C      -7.943170      6.099312      0.191667
  C      -7.066129      6.946190     -0.450703
  C      -5.776512      7.191976      0.082190
  C      -5.370379      6.595032      1.256427
  C      -6.248890      5.714611      1.938765
  C      -1.600431     -1.331560      4.507184
  C      -2.030712     -1.674798      3.054348
  O      -2.436428     -0.509262      2.315520
  C      -3.415115      0.245941      2.852618
  O      -4.001025     -0.090529      3.913641
  C      -3.989512      1.198485      1.862666
  N      -5.222264      1.562912      2.145610
  C      -5.822034      2.464157      1.327933
  N      -5.279081      3.051171      0.281006
  C      -4.004571      2.690889     -0.034980
  C      -3.423046      3.309257     -1.167630
  C      -2.158890      2.953872     -1.586089
  C      -1.443643      1.953210     -0.888726
  C      -1.969568      1.339601      0.231030
  C      -3.260672      1.712792      0.728600
  C      -4.311922     -0.423380      6.859396
  C      -5.297496      0.048918      7.935468
  O      -5.807851      1.379061      7.706358
  C      -6.782514      1.480109      6.770114
  O      -7.158773      0.546473      6.085438
  C      -7.350223      2.875698      6.715369
  N      -6.568406      3.842399      7.173213
  C      -7.067901      5.101530      7.167102
  N      -8.259639      5.486142      6.754052
  C      -9.085786      4.504083      6.291748
  C     -10.383203      4.859883      5.847809
  C     -11.251455      3.886694      5.402343
  C     -10.858033      2.526980      5.383104
  C      -9.597283      2.147450      5.796813
  C      -8.677100      3.126040      6.256656
  H      -2.865327      4.263508      7.655093
  H      -4.220016      3.459667      6.819431
  H      -2.852903      5.812971      5.461024
  H      -3.972609      6.084688      6.844241
  H      -8.705967      3.351868      3.621109
  H      -8.939451      5.891847     -0.199699
  H      -7.363916      7.434341     -1.379988
  H      -5.098563      7.865664     -0.443865
  H      -4.374520      6.775114      1.657337
  H      -2.442844     -1.567896      5.167857
  H      -0.749182     -1.978051      4.773968
  H      -2.861112     -2.394858      3.070252
  H      -1.198743     -2.076475      2.464826
  H      -6.853391      2.722490      1.584600
  H      -4.022835      4.057341     -1.689597
  H      -1.717138      3.424883     -2.465039
  H      -0.453177      1.658567     -1.239354
  H      -1.399432      0.567049      0.738604
  H      -4.845568     -0.434312      5.903750
  H      -4.049666     -1.467109      7.120033
  H      -6.138211     -0.659936      7.959550
  H      -4.828096      0.110789      8.925451
  H      -6.397716      5.878317      7.550264
  H     -10.663233      5.913188      5.880459
  H     -12.252271      4.161042      5.065611
  H     -11.561307      1.769462      5.034426
  H      -9.294171      1.103231      5.769610
  N      -2.235869      2.409385      3.360616
  N      -2.146154      2.883651      2.260193
  H      -1.170713      2.845032      1.870693
98
Coordinates from ORCA-job orca E -6706.308603193783
  N      -2.380485      3.249009      5.869480
  Mo     -2.592764      1.433179      5.103837
  N      -3.126050      0.366711      6.686176
  C      -2.142418      0.069849      7.723024
  C      -1.176702      1.227421      7.918453
  N      -0.526720      1.620997      6.648833
  C      -0.090368      3.028264      6.649376
  C      -1.072178      3.850778      5.781531
  C       0.501370      0.680391      6.180605
  C       0.190377      0.421092      4.697143
  N      -1.206023      0.072639      4.664774
  H      -0.719710      3.836520      4.738670
  H      -1.082410      4.901748      6.110090
  H       0.920460      3.118733      6.233255
  H      -0.071667      3.411899      7.679617
  H       0.822467     -0.379728      4.282702
  H       0.376958      1.343697      4.120540
  H       0.419060     -0.266596      6.729975
  H       1.513302      1.085998      6.327251
  H      -2.637167     -0.123866      8.690087
  H      -1.597878     -0.858208      7.454091
  H      -1.747660      2.093080      8.278438
  H      -0.416302      0.967917      8.675683
  C      -3.385813      3.986979      6.620782
  C      -3.798667      5.339200      6.019670
  O      -4.937437      5.233226      5.141400
  C      -4.712286      5.187885      3.814673
  O      -3.624679      5.301644      3.279735
  C      -6.016171      4.979840      3.083300
  N      -6.874296      4.148894      3.656359
  C      -8.051802      3.942102      3.010217
  N      -8.454553      4.505323      1.885656
  C      -7.582987      5.372024      1.291189
  C      -7.959557      5.998667      0.078206
  C      -7.086310      6.859637     -0.549652
  C      -5.811309      7.129419      0.006678
  C      -5.416725      6.542752      1.189839
  C      -6.292253      5.647882      1.857241
  C      -1.546656     -1.322133      4.484871
  C      -1.952049     -1.679605      3.030479
  O      -2.374128     -0.527305      2.272933
  C      -3.366389      0.216785      2.788478
  O      -3.948133     -0.093976      3.861992
  C      -3.937980      1.164288      1.786104
  N      -5.180981      1.516402      2.057988
  C      -5.777786      2.408870      1.231289
  N      -5.223978      3.007666      0.196466
  C      -3.940852      2.664274     -0.098333
  C      -3.346716      3.297546     -1.218757
  C      -2.074928      2.955176     -1.617806
  C      -1.365353      1.953100     -0.914608
  C      -1.905269      1.330288      0.192008
  C      -3.198836      1.692616      0.670977
  C      -4.328647     -0.454797      6.790053
  C      -5.313377     -0.020701      7.880737
  O      -5.826724      1.322620      7.726658
  C      -6.801234      1.499120      6.801834
  O      -7.181166      0.633529      6.035135
  C      -7.353226      2.903937      6.872856
  N      -6.566842      3.806137      7.438131
  C      -7.045074      5.069700      7.544307
  N      -8.220928      5.513663      7.149083
  C      -9.051834      4.596031      6.575114
  C     -10.330825      5.020763      6.138290
  C     -11.203522      4.116060      5.574016
  C     -10.831860      2.758411      5.424489
  C      -9.589265      2.313877      5.828229
  C      -8.665680      3.221191      6.410954
  H      -2.987757      4.210726      7.631108
  H      -4.293706      3.379882      6.751824
  H      -2.969572      5.802768      5.467843
  H      -4.133256      6.005725      6.825732
  H      -8.733417      3.230574      3.489496
  H      -8.944423      5.771961     -0.331734
  H      -7.375271      7.340407     -1.485854
  H      -5.136157      7.814384     -0.508876
  H      -4.431689      6.741791      1.608369
  H      -2.390928     -1.573413      5.137752
  H      -0.687475     -1.953420      4.764782
  H      -2.768924     -2.415221      3.041304
  H      -1.106688     -2.070318      2.452811
  H      -6.816650      2.653121      1.468728
  H      -3.944876      4.044078     -1.744621
  H      -1.621147      3.434574     -2.486386
  H      -0.367871      1.665019     -1.251572
  H      -1.337921      0.557986      0.703867
  H      -4.853019     -0.446896      5.829661
  H      -4.063830     -1.504147      7.026508
  H      -6.152369     -0.731881      7.881438
  H      -4.841004     -0.000094      8.871237
  H      -6.368536      5.792852      8.011795
  H     -10.592667      6.071211      6.270515
  H     -12.190004      4.443463      5.241648
  H     -11.537904      2.054568      4.981004
  H      -9.303612      1.272518      5.699270
  N      -2.171500      2.433494      3.394940
  N      -2.066096      2.919258      2.303231
  H      -1.088113      2.907649      1.918329
98
Coordinates from ORCA-job orca E -6706.318650962366
  N      -2.341779      3.259311      5.867566
  Mo     -2.565740      1.442910      5.111387
  N      -3.107667      0.385994      6.702446
  C      -2.116992      0.095274      7.734137
  C      -1.142707      1.247129      7.911485
  N      -0.495644      1.627924      6.635084
  C      -0.053578      3.035098      6.628457
  C      -1.036768      3.863197      5.769081
  C       0.521579      0.677543      6.159358
  C       0.200339      0.411218      4.679019
  N      -1.196256      0.065800      4.657792
  H      -0.690501      3.852561      4.724873
  H      -1.046026      4.913684      6.099387
  H       0.956943      3.117967      6.209764
  H      -0.027399      3.416125      7.659427
  H       0.826010     -0.395198      4.265293
  H       0.388325      1.328646      4.094664
  H       0.436553     -0.265511      6.714861
  H       1.536166      1.078790      6.300580
  H      -2.603954     -0.087928      8.707297
  H      -1.579770     -0.838927      7.471212
  H      -1.702339      2.121870      8.266935
  H      -0.378625      0.990738      8.666175
  C      -3.344426      3.980139      6.637357
  C      -3.764483      5.340599      6.065961
  O      -4.912568      5.245408      5.197037
  C      -4.695992      5.224349      3.868459
  O      -3.609775      5.333370      3.329867
  C      -6.007726      5.048921      3.138462
  N      -6.882350      4.233683      3.709422
  C      -8.061661      4.048806      3.060391
  N      -8.451603      4.621165      1.936734
  C      -7.561599      5.469262      1.342643
  C      -7.921614      6.097391      0.125518
  C      -7.027974      6.934477     -0.505545
  C      -5.748859      7.178885      0.052345
  C      -5.370744      6.591755      1.240551
  C      -6.267444      5.720831      1.910765
  C      -1.551692     -1.327165      4.497152
  C      -1.986258     -1.703801      3.057647
  O      -2.423829     -0.564518      2.281715
  C      -3.395503      0.199119      2.796350
  O      -3.942293     -0.056177      3.903679
  C      -3.973089      1.147832      1.794526
  N      -5.205522      1.522013      2.099619
  C      -5.807846      2.415196      1.281557
  N      -5.269253      3.006437      0.232968
  C      -3.997922      2.645831     -0.088850
  C      -3.415000      3.271935     -1.220175
  C      -2.157918      2.906766     -1.643698
  C      -1.452953      1.890491     -0.955508
  C      -1.982584      1.277953      0.161669
  C      -3.255495      1.664381      0.664412
  C      -4.312331     -0.430462      6.820789
  C      -5.293861      0.011980      7.908307
  O      -5.824999      1.347117      7.733812
  C      -6.806620      1.483111      6.810542
  O      -7.178507      0.589439      6.072663
  C      -7.379768      2.882893      6.838059
  N      -6.608083      3.818586      7.368883
  C      -7.104287      5.079450      7.414935
  N      -8.282705      5.489476      6.993839
  C      -9.097621      4.537247      6.454532
  C     -10.377216      4.927714      5.988856
  C     -11.232838      3.990063      5.453590
  C     -10.842197      2.632763      5.363395
  C      -9.598492      2.221119      5.796744
  C      -8.692562      3.162608      6.351785
  H      -2.937608      4.184655      7.648792
  H      -4.245579      3.365145      6.773793
  H      -2.942190      5.821267      5.518745
  H      -4.094166      5.987981      6.888384
  H      -8.757528      3.352456      3.540609
  H      -8.909848      5.889232     -0.285902
  H      -7.303447      7.415247     -1.445669
  H      -5.057644      7.845215     -0.466119
  H      -4.382523      6.771408      1.660127
  H      -2.381992     -1.567732      5.172165
  H      -0.691039     -1.960616      4.769295
  H      -2.804995     -2.436403      3.095503
  H      -1.154970     -2.107736      2.469118
  H      -6.838107      2.674709      1.540699
  H      -4.010106      4.030245     -1.731967
  H      -1.711436      3.378549     -2.520124
  H      -0.468645      1.583388     -1.313370
  H      -1.418310      0.496490      0.662682
  H      -4.837501     -0.437660      5.860661
  H      -4.045685     -1.477014      7.069663
  H      -6.126841     -0.706020      7.924681
  H      -4.819632      0.051661      8.897335
  H      -6.440821      5.831821      7.852869
  H     -10.652540      5.979417      6.074821
  H     -12.219528      4.291019      5.098034
  H     -11.534348      1.902500      4.941424
  H      -9.298880      1.179221      5.712119
  N      -2.121233      2.435099      3.437857
  N      -2.017339      2.925287      2.345682
  H      -1.051596      2.911669      1.935090
98
Coordinates from ORCA-job orca E -6706.325987682237
  N      -2.324999      3.272546      5.869666
  Mo     -2.548169      1.455621      5.110032
  N      -3.105966      0.402920      6.705152
  C      -2.110717      0.115165      7.733095
  C      -1.130908      1.262110      7.900220
  N      -0.483775      1.638056      6.621209
  C      -0.038867      3.045905      6.618626
  C      -1.023962      3.883100      5.771422
  C       0.527333      0.683103      6.139142
  C       0.203556      0.412145      4.660015
  N      -1.192218      0.066859      4.642124
  H      -0.680425      3.885778      4.726725
  H      -1.035931      4.929928      6.112444
  H       0.972777      3.126454      6.202079
  H      -0.009871      3.417942      7.652801
  H       0.828285     -0.396866      4.249542
  H       0.392394      1.326035      4.070588
  H       0.439440     -0.258121      6.697348
  H       1.542959      1.081724      6.280916
  H      -2.591558     -0.062060      8.710685
  H      -1.578127     -0.823045      7.473956
  H      -1.682939      2.142315      8.253421
  H      -0.365281      1.007063      8.653910
  C      -3.328099      3.972112      6.657792
  C      -3.751248      5.341169      6.113158
  O      -4.899063      5.254674      5.243318
  C      -4.682263      5.255386      3.914413
  O      -3.594017      5.359818      3.378462
  C      -5.994912      5.100848      3.182282
  N      -6.883328      4.302286      3.755951
  C      -8.062967      4.130424      3.104858
  N      -8.440452      4.699393      1.975683
  C      -7.536167      5.528829      1.377274
  C      -7.883108      6.150028      0.152975
  C      -6.975075      6.967108     -0.483768
  C      -5.694735      7.198414      0.076280
  C      -5.329146      6.617974      1.271866
  C      -6.240556      5.767298      1.948133
  C      -1.559034     -1.324448      4.498561
  C      -2.019271     -1.715373      3.071893
  O      -2.472937     -0.588450      2.280038
  C      -3.425520      0.193933      2.790720
  O      -3.934633     -0.006117      3.928042
  C      -4.006161      1.143813      1.790710
  N      -5.228252      1.541619      2.119316
  C      -5.831514      2.434383      1.303425
  N      -5.303140      3.015021      0.241875
  C      -4.041898      2.636567     -0.098647
  C      -3.461210      3.249765     -1.238345
  C      -2.215535      2.860156     -1.675020
  C      -1.518805      1.834055     -0.992928
  C      -2.046114      1.234760      0.132905
  C      -3.305554      1.645640      0.646395
  C      -4.309783     -0.410865      6.838698
  C      -5.274930      0.031035      7.938209
  O      -5.810300      1.363381      7.757718
  C      -6.801365      1.471829      6.841898
  O      -7.168238      0.557501      6.126909
  C      -7.389650      2.865079      6.836075
  N      -6.632461      3.822780      7.348764
  C      -7.141158      5.079781      7.348332
  N      -8.317821      5.465450      6.900816
  C      -9.117692      4.490447      6.380400
  C     -10.393061      4.856187      5.884181
  C     -11.231521      3.896238      5.361234
  C     -10.826489      2.541102      5.314420
  C      -9.586141      2.153277      5.778652
  C      -8.698241      3.117769      6.323288
  H      -2.919840      4.155764      7.673511
  H      -4.225462      3.350462      6.790375
  H      -2.931227      5.838076      5.577635
  H      -4.084316      5.970560      6.948041
  H      -8.769554      3.447467      3.587639
  H      -8.872985      5.952226     -0.259438
  H      -7.240087      7.441984     -1.429822
  H      -4.992269      7.849247     -0.446639
  H      -4.340162      6.787942      1.693059
  H      -2.375517     -1.557521      5.193327
  H      -0.697361     -1.961101      4.761545
  H      -2.838003     -2.446597      3.130807
  H      -1.199990     -2.128351      2.473188
  H      -6.855471      2.707307      1.573830
  H      -4.048055      4.017124     -1.745278
  H      -1.770655      3.321468     -2.557802
  H      -0.545264      1.508524     -1.363340
  H      -1.488340      0.446731      0.631028
  H      -4.847273     -0.424490      5.885495
  H      -4.038104     -1.456780      7.086818
  H      -6.107405     -0.687155      7.970827
  H      -4.788713      0.074460      8.921253
  H      -6.490485      5.852296      7.769902
  H     -10.678292      5.907417      5.935961
  H     -12.214593      4.177978      4.981003
  H     -11.504261      1.793048      4.900474
  H      -9.275765      1.112587      5.725818
  N      -2.083825      2.437796      3.465295
  N      -1.973147      2.938685      2.377998
  H      -1.017017      2.919245      1.952206
98
Coordinates from ORCA-job orca E -6706.331588915692
  N      -2.320590      3.284809      5.863703
  Mo     -2.523032      1.468002      5.089409
  N      -3.114796      0.415136      6.678935
  C      -2.125689      0.128649      7.713680
  C      -1.145037      1.273276      7.884116
  N      -0.485780      1.650150      6.610321
  C      -0.041194      3.060029      6.620849
  C      -1.024264      3.906738      5.780872
  C       0.528690      0.694672      6.133982
  C       0.221731      0.419074      4.652532
  N      -1.172409      0.072092      4.619798
  H      -0.675151      3.929579      4.738338
  H      -1.044988      4.947502      6.138866
  H       0.975005      3.142799      6.215906
  H      -0.019782      3.420153      7.659481
  H       0.853340     -0.390590      4.253563
  H       0.416181      1.330278      4.060965
  H       0.433660     -0.245645      6.692791
  H       1.542641      1.092826      6.288887
  H      -2.609697     -0.045713      8.690328
  H      -1.592959     -0.811739      7.461592
  H      -1.696800      2.155587      8.231883
  H      -0.385109      1.019879      8.644210
  C      -3.331661      3.954690      6.666953
  C      -3.770163      5.327963      6.147484
  O      -4.910859      5.236243      5.269675
  C      -4.687884      5.259291      3.941582
  O      -3.597233      5.381243      3.413789
  C      -5.994843      5.102817      3.201313
  N      -6.887407      4.306914      3.773241
  C      -8.061157      4.128215      3.114182
  N      -8.429476      4.686315      1.976564
  C      -7.520893      5.510574      1.377947
  C      -7.857200      6.116764      0.143308
  C      -6.943698      6.926264     -0.495452
  C      -5.668873      7.165222      0.073516
  C      -5.313873      6.600004      1.279700
  C      -6.230581      5.757044      1.958429
  C      -1.546064     -1.318038      4.488869
  C      -2.016000     -1.720079      3.069372
  O      -2.478405     -0.604763      2.260164
  C      -3.418019      0.195142      2.756797
  O      -3.899644      0.046675      3.915587
  C      -3.992925      1.143113      1.753313
  N      -5.208647      1.558841      2.089974
  C      -5.808165      2.447995      1.268873
  N      -5.281552      3.019737      0.200531
  C      -4.025363      2.629453     -0.144687
  C      -3.438027      3.233057     -1.285577
  C      -2.197247      2.826594     -1.721620
  C      -1.509817      1.795482     -1.037939
  C      -2.043002      1.205595      0.090550
  C      -3.298995      1.631728      0.600037
  C      -4.318504     -0.397607      6.809161
  C      -5.278138      0.037243      7.916670
  O      -5.818890      1.370063      7.749204
  C      -6.825903      1.482741      6.850718
  O      -7.205983      0.569847      6.139967
  C      -7.422134      2.871812      6.867492
  N      -6.665077      3.825838      7.388169
  C      -7.176433      5.081654      7.402701
  N      -8.356495      5.469175      6.966287
  C      -9.156815      4.498848      6.438526
  C     -10.434777      4.868888      5.952299
  C     -11.272440      3.914859      5.417265
  C     -10.863304      2.562059      5.348244
  C      -9.620510      2.170217      5.803162
  C      -8.733334      3.127954      6.360993
  H      -2.929844      4.119205      7.689119
  H      -4.221343      3.320146      6.787289
  H      -2.954979      5.849053      5.628045
  H      -4.119104      5.935654      6.992107
  H      -8.769949      3.446906      3.595443
  H      -8.843169      5.913103     -0.275466
  H      -7.200134      7.388965     -1.449846
  H      -4.961960      7.809979     -0.450906
  H      -4.329086      6.776207      1.707991
  H      -2.355905     -1.546037      5.193591
  H      -0.685781     -1.958093      4.749626
  H      -2.833813     -2.451521      3.137576
  H      -1.201098     -2.138562      2.468677
  H      -6.829691      2.728719      1.537995
  H      -4.014586      4.006948     -1.794237
  H      -1.747418      3.280994     -2.605533
  H      -0.540701      1.458838     -1.409743
  H      -1.492092      0.415496      0.592571
  H      -4.858461     -0.409879      5.857281
  H      -4.045500     -1.445194      7.051246
  H      -6.109214     -0.682120      7.955141
  H      -4.784261      0.074562      8.896056
  H      -6.525784      5.851813      7.828513
  H     -10.721724      5.918693      6.020170
  H     -12.257040      4.199793      5.043531
  H     -11.539625      1.818586      4.923872
  H      -9.308213      1.131405      5.732761
  N      -2.028811      2.441353      3.469035
  N      -1.897815      2.956805      2.389819
  H      -0.944430      2.930108      1.962975
98
Coordinates from ORCA-job orca E -6706.335965934973
  N      -2.335375      3.297607      5.869815
  Mo     -2.505774      1.476198      5.089852
  N      -3.102746      0.423512      6.683271
  C      -2.106136      0.149151      7.714630
  C      -1.132674      1.300740      7.871978
  N      -0.482288      1.679300      6.592376
  C      -0.047953      3.094507      6.605744
  C      -1.048452      3.938912      5.784269
  C       0.539017      0.729549      6.115844
  C       0.234507      0.439611      4.637128
  N      -1.156284      0.081863      4.606139
  H      -0.709381      3.980531      4.739045
  H      -1.080547      4.974450      6.156050
  H       0.965753      3.186010      6.196577
  H      -0.021161      3.447096      7.646920
  H       0.874882     -0.367593      4.246903
  H       0.421056      1.346914      4.037269
  H       0.450699     -0.207838      6.680885
  H       1.549876      1.135747      6.270008
  H      -2.579712     -0.023341      8.696708
  H      -1.568030     -0.789309      7.465765
  H      -1.688034      2.180778      8.218975
  H      -0.366081      1.058259      8.628854
  C      -3.347782      3.936126      6.694652
  C      -3.801434      5.311508      6.195487
  O      -4.935378      5.215764      5.309846
  C      -4.700930      5.253907      3.983318
  O      -3.603203      5.375200      3.469663
  C      -6.001422      5.134287      3.225843
  N      -6.925280      4.363253      3.783674
  C      -8.094064      4.219422      3.108594
  N      -8.430529      4.788570      1.966281
  C      -7.490161      5.585532      1.380565
  C      -7.791276      6.199398      0.140761
  C      -6.845559      6.980476     -0.486264
  C      -5.572889      7.183240      0.100769
  C      -5.251616      6.610111      1.312679
  C      -6.201377      5.794788      1.979690
  C      -1.528396     -1.310068      4.498163
  C      -2.024399     -1.729022      3.092843
  O      -2.513740     -0.630359      2.271511
  C      -3.438445      0.182833      2.765140
  O      -3.875340      0.083540      3.948126
  C      -4.029850      1.118772      1.763993
  N      -5.237321      1.543418      2.123747
  C      -5.853756      2.420299      1.303252
  N      -5.349834      2.979868      0.217095
  C      -4.100772      2.585550     -0.149996
  C      -3.530348      3.177678     -1.304648
  C      -2.297573      2.763840     -1.756120
  C      -1.598829      1.739390     -1.074246
  C      -2.114636      1.160733      0.068168
  C      -3.364231      1.591600      0.588596
  C      -4.298171     -0.397877      6.819767
  C      -5.253773      0.024387      7.935497
  O      -5.805979      1.352553      7.772844
  C      -6.816347      1.457109      6.876938
  O      -7.180841      0.542799      6.159254
  C      -7.420851      2.841275      6.887051
  N      -6.683301      3.796860      7.433613
  C      -7.199474      5.050495      7.435596
  N      -8.366799      5.435253      6.963778
  C      -9.146998      4.464315      6.408767
  C     -10.409539      4.832524      5.882808
  C     -11.225664      3.878436      5.315733
  C     -10.809630      2.527534      5.254342
  C      -9.581607      2.137327      5.749017
  C      -8.716373      3.094956      6.340337
  H      -2.945880      4.086528      7.719301
  H      -4.229564      3.289568      6.808190
  H      -2.990357      5.851522      5.688971
  H      -4.160829      5.902424      7.047099
  H      -8.829511      3.559006      3.578605
  H      -8.776806      6.023963     -0.291328
  H      -7.074722      7.448528     -1.444869
  H      -4.839993      7.806257     -0.413986
  H      -4.268749      6.758928      1.755116
  H      -2.321039     -1.536062      5.223235
  H      -0.662271     -1.947770      4.746077
  H      -2.834943     -2.466203      3.182082
  H      -1.218696     -2.148027      2.480340
  H      -6.871103      2.702293      1.586691
  H      -4.111354      3.949290     -1.811477
  H      -1.861094      3.210280     -2.650681
  H      -0.636126      1.399589     -1.459202
  H      -1.555435      0.377328      0.571485
  H      -4.845176     -0.412644      5.871479
  H      -4.015404     -1.444633      7.055472
  H      -6.078388     -0.701894      7.979021
  H      -4.754344      0.063195      8.911918
  H      -6.566903      5.822396      7.883941
  H     -10.701515      5.881153      5.945713
  H     -12.198025      4.161911      4.910409
  H     -11.468317      1.783805      4.803696
  H      -9.263845      1.099921      5.683814
  N      -2.015240      2.438784      3.473590
  N      -1.882060      2.967446      2.399528
  H      -0.935727      2.936014      1.961282
98
Coordinates from ORCA-job orca E -6706.339471496879
  N      -2.333913      3.311379      5.864645
  Mo     -2.474331      1.492503      5.063843
  N      -3.115132      0.438671      6.644692
  C      -2.131759      0.157721      7.687155
  C      -1.155071      1.304051      7.853692
  N      -0.491075      1.683610      6.579747
  C      -0.050127      3.098992      6.609649
  C      -1.047010      3.956815      5.798155
  C       0.536091      0.730501      6.118027
  C       0.256721      0.436272      4.636235
  N      -1.134842      0.086107      4.580140
  H      -0.704524      4.019748      4.755079
  H      -1.082753      4.984560      6.190708
  H       0.967171      3.189450      6.209266
  H      -0.026997      3.438355      7.655441
  H       0.902713     -0.374296      4.262173
  H       0.457009      1.340444      4.036008
  H       0.434676     -0.205290      6.683901
  H       1.545550      1.133024      6.290289
  H      -2.613226     -0.012635      8.665911
  H      -1.595936     -0.783935      7.444333
  H      -1.710001      2.185655      8.196785
  H      -0.395738      1.059577      8.617168
  C      -3.348226      3.925299      6.705787
  C      -3.816697      5.304642      6.230568
  O      -4.941631      5.211884      5.333810
  C      -4.699733      5.275492      4.009128
  O      -3.599310      5.410543      3.504451
  C      -5.992280      5.129802      3.243738
  N      -6.912913      4.360584      3.809876
  C      -8.075881      4.191987      3.131399
  N      -8.409492      4.732545      1.973946
  C      -7.472766      5.526101      1.378145
  C      -7.771617      6.109685      0.123090
  C      -6.830282      6.887470     -0.514452
  C      -5.564488      7.117708      0.077326
  C      -5.245359      6.574457      1.303604
  C      -6.190331      5.762492      1.982309
  C      -1.520638     -1.302289      4.480052
  C      -2.024500     -1.721578      3.077750
  O      -2.512203     -0.627144      2.245529
  C      -3.419183      0.208595      2.726372
  O      -3.835009      0.152088      3.921133
  C      -3.996936      1.143262      1.720328
  N      -5.197835      1.590366      2.076745
  C      -5.802642      2.464134      1.244336
  N      -5.291259      3.005692      0.152210
  C      -4.046869      2.592206     -0.209719
  C      -3.463103      3.166337     -1.366376
  C      -2.233560      2.731873     -1.807996
  C      -1.549246      1.706250     -1.113605
  C      -2.077779      1.143892      0.031325
  C      -3.327487      1.592650      0.537663
  C      -4.314010     -0.378561      6.765069
  C      -5.270413      0.036651      7.883442
  O      -5.824213      1.365516      7.734884
  C      -6.853546      1.478548      6.861610
  O      -7.245015      0.565185      6.156739
  C      -7.464728      2.858546      6.908840
  N      -6.718486      3.807458      7.456270
  C      -7.238029      5.058791      7.493421
  N      -8.418529      5.447595      7.057797
  C      -9.208375      4.483993      6.503939
  C     -10.486187      4.856776      6.019192
  C     -11.312649      3.910797      5.453355
  C     -10.891663      2.563766      5.351889
  C      -9.649352      2.169236      5.806344
  C      -8.773246      3.118019      6.396238
  H      -2.950504      4.058525      7.734728
  H      -4.224850      3.269707      6.804678
  H      -3.008945      5.865276      5.741545
  H      -4.191816      5.873726      7.090462
  H      -8.807908      3.533309      3.608932
  H      -8.752359      5.914177     -0.311562
  H      -7.057866      7.331941     -1.484736
  H      -4.834650      7.737984     -0.445299
  H      -4.267918      6.744720      1.749930
  H      -2.311569     -1.520804      5.209685
  H      -0.661148     -1.950493      4.724718
  H      -2.838426     -2.454793      3.169017
  H      -1.222736     -2.146630      2.464178
  H      -6.817876      2.759562      1.519977
  H      -4.029552      3.941730     -1.883755
  H      -1.787331      3.165718     -2.704123
  H      -0.588517      1.352785     -1.491389
  H      -1.529883      0.360104      0.546759
  H      -4.857056     -0.383511      5.814365
  H      -4.037213     -1.429051      6.992154
  H      -6.094670     -0.690181      7.925160
  H      -4.768333      0.067979      8.858845
  H      -6.597612      5.825408      7.940360
  H     -10.780867      5.902526      6.112074
  H     -12.296504      4.197911      5.079217
  H     -11.557982      1.826230      4.902000
  H      -9.329139      1.134850      5.711370
  N      -1.947721      2.449985      3.460904
  N      -1.786205      2.995910      2.397588
  H      -0.836616      2.947935      1.968715
98
Coordinates from ORCA-job orca E -6706.342449309353
  N      -2.354893      3.322336      5.866621
  Mo     -2.453105      1.499771      5.062244
  N      -3.100781      0.448093      6.644924
  C      -2.114737      0.175930      7.686662
  C      -1.145044      1.328806      7.840908
  N      -0.493786      1.707296      6.558050
  C      -0.059091      3.127272      6.588408
  C      -1.073689      3.982693      5.797801
  C       0.544208      0.758022      6.106338
  C       0.273050      0.445654      4.627860
  N      -1.117351      0.091172      4.566425
  H      -0.744165      4.063297      4.751991
  H      -1.116720      5.004557      6.204929
  H       0.953061      3.224078      6.176765
  H      -0.023457      3.460076      7.636040
  H       0.926297     -0.365180      4.267060
  H       0.471452      1.344284      4.018562
  H       0.447023     -0.172463      6.681824
  H       1.550025      1.169018      6.279871
  H      -2.589487      0.008206      8.669233
  H      -1.574702     -0.764411      7.447315
  H      -1.703794      2.207764      8.183873
  H      -0.377481      1.095426      8.599392
  C      -3.365588      3.911295      6.728673
  C      -3.851366      5.290208      6.271111
  O      -4.967563      5.191484      5.364502
  C      -4.711949      5.266616      4.042687
  O      -3.606835      5.415237      3.552220
  C      -5.998341      5.152305      3.261388
  N      -6.945726      4.407745      3.816371
  C      -8.105368      4.270729      3.126162
  N      -8.411596      4.818776      1.964233
  C      -7.446953      5.585636      1.378414
  C      -7.715840      6.174475      0.118879
  C      -6.747031      6.925168     -0.509680
  C      -5.482384      7.122803      0.096242
  C      -5.191763      6.573998      1.327112
  C      -6.165327      5.788489      1.996952
  C      -1.505511     -1.297701      4.488139
  C      -2.035665     -1.728919      3.098763
  O      -2.544086     -0.646703      2.259271
  C      -3.432188      0.206803      2.738376
  O      -3.812661      0.188848      3.946342
  C      -4.022094      1.130765      1.732309
  N      -5.215491      1.586356      2.104395
  C      -5.833943      2.448183      1.269719
  N      -5.340112      2.973955      0.161972
  C      -4.102110      2.554451     -0.215091
  C      -3.534068      3.116229     -1.385353
  C      -2.310571      2.676716     -1.838468
  C      -1.615182      1.660493     -1.141181
  C      -2.128204      1.109810      0.016372
  C      -3.374357      1.559346      0.530025
  C      -4.293480     -0.377035      6.764958
  C      -5.249141      0.025507      7.888724
  O      -5.813162      1.350122      7.745864
  C      -6.848595      1.456113      6.878681
  O      -7.230417      0.541762      6.169788
  C      -7.466306      2.833438      6.924032
  N      -6.737047      3.780690      7.497243
  C      -7.261849      5.029477      7.533541
  N      -8.433241      5.418403      7.073024
  C      -9.205831      4.456990      6.492285
  C     -10.473546      4.829719      5.981245
  C     -11.282736      3.886464      5.386787
  C     -10.854171      2.541985      5.282430
  C      -9.621771      2.147352      5.763043
  C      -8.763055      3.093424      6.382477
  H      -2.964251      4.035911      7.757202
  H      -4.235060      3.245857      6.821407
  H      -3.048309      5.868435      5.794885
  H      -4.239310      5.842903      7.135946
  H      -8.860411      3.632311      3.595116
  H      -8.696681      6.004443     -0.326176
  H      -6.951748      7.373253     -1.483409
  H      -4.730057      7.722273     -0.418771
  H      -4.215611      6.719671      1.784698
  H      -2.282002     -1.511224      5.234933
  H      -0.643182     -1.947123      4.719527
  H      -2.844549     -2.465104      3.208647
  H      -1.243336     -2.155373      2.473974
  H      -6.845586      2.745797      1.555851
  H      -4.105614      3.887390     -1.903585
  H      -1.876389      3.102032     -2.744573
  H      -0.658096      1.305830     -1.527045
  H      -1.571774      0.334666      0.535565
  H      -4.840414     -0.379602      5.816556
  H      -4.010178     -1.427588      6.984235
  H      -6.067191     -0.708300      7.930456
  H      -4.743841      0.057327      8.862518
  H      -6.636210      5.794621      8.003370
  H     -10.774191      5.873493      6.077404
  H     -12.258542      4.173670      4.992140
  H     -11.506452      1.806364      4.809370
  H      -9.295513      1.115090      5.666222
  N      -1.925184      2.450377      3.456853
  N      -1.759774      3.007795      2.399533
  H      -0.813123      2.948251      1.966118
98
Coordinates from ORCA-job orca E -6706.344938143782
  N      -2.374573      3.334911      5.865925
  Mo     -2.432258      1.511651      5.054785
  N      -3.092474      0.461728      6.635423
  C      -2.108539      0.191762      7.678908
  C      -1.142022      1.347304      7.824724
  N      -0.503194      1.723027      6.532604
  C      -0.067523      3.145771      6.565724
  C      -1.095674      4.005554      5.799455
  C       0.544818      0.773862      6.095169
  C       0.285719      0.445747      4.619326
  N      -1.105636      0.095045      4.546184
  H      -0.778004      4.107358      4.752234
  H      -1.141975      5.019593      6.225609
  H       0.938219      3.245119      6.139378
  H      -0.014305      3.468794      7.615713
  H       0.942309     -0.368602      4.272854
  H       0.489842      1.338362      4.002813
  H       0.446609     -0.150831      6.679803
  H       1.547454      1.190371      6.273580
  H      -2.581025      0.027002      8.663076
  H      -1.567607     -0.748969      7.442534
  H      -1.701615      2.224951      8.169063
  H      -0.366712      1.120947      8.577044
  C      -3.377331      3.901008      6.751490
  C      -3.878167      5.281395      6.315960
  O      -4.987128      5.186545      5.399958
  C      -4.720000      5.284006      4.081660
  O      -3.609563      5.435274      3.604173
  C      -5.998279      5.174102      3.284872
  N      -6.963160      4.450133      3.837315
  C      -8.116932      4.321520      3.136403
  N      -8.401527      4.857748      1.963311
  C      -7.419122      5.602814      1.379363
  C      -7.665773      6.178826      0.109221
  C      -6.680535      6.908963     -0.517601
  C      -5.420721      7.098446      0.100837
  C      -5.151023      6.561233      1.341521
  C      -6.141907      5.796377      2.010282
  C      -1.502723     -1.292112      4.484145
  C      -2.057646     -1.728105      3.105292
  O      -2.578372     -0.652363      2.262276
  C      -3.443804      0.222012      2.740738
  O      -3.800482      0.233401      3.955128
  C      -4.035437      1.140957      1.732360
  N      -5.222196      1.609415      2.109732
  C      -5.843691      2.461878      1.267352
  N      -5.356350      2.967602      0.147523
  C      -4.123746      2.535924     -0.233706
  C      -3.561146      3.079677     -1.415165
  C      -2.341532      2.630238     -1.869069
  C      -1.643968      1.623218     -1.160515
  C      -2.152483      1.088902      0.006437
  C      -3.396999      1.544502      0.517186
  C      -4.282707     -0.367424      6.750685
  C      -5.236246      0.022160      7.880705
  O      -5.805965      1.344479      7.744954
  C      -6.851130      1.444811      6.888899
  O      -7.235285      0.527292      6.185472
  C      -7.475421      2.819395      6.939497
  N      -6.757174      3.765095      7.528981
  C      -7.288423      5.010574      7.571764
  N      -8.456906      5.398403      7.102211
  C      -9.218223      4.438563      6.504599
  C     -10.482927      4.809652      5.984597
  C     -11.281158      3.868293      5.372819
  C     -10.844417      2.527083      5.259537
  C      -9.615201      2.133937      5.749187
  C      -8.767407      3.078297      6.386325
  H      -2.967893      4.015947      7.777736
  H      -4.240774      3.227548      6.839032
  H      -3.079054      5.877159      5.854660
  H      -4.276936      5.813908      7.188255
  H      -8.887026      3.700633      3.604043
  H      -8.643844      6.016090     -0.344560
  H      -6.868463      7.347293     -1.499101
  H      -4.654797      7.682050     -0.412328
  H      -4.178942      6.701051      1.809085
  H      -2.268110     -1.498469      5.244706
  H      -0.641512     -1.947494      4.702390
  H      -2.865159     -2.463339      3.229806
  H      -1.275153     -2.157781      2.470384
  H      -6.852007      2.767679      1.556621
  H      -4.132288      3.845802     -1.941017
  H      -1.911254      3.042386     -2.783039
  H      -0.688497      1.263071     -1.545254
  H      -1.594473      0.321020      0.535042
  H      -4.832827     -0.361211      5.804216
  H      -3.997240     -1.419758      6.958485
  H      -6.050014     -0.716387      7.920054
  H      -4.728016      0.051393      8.853062
  H      -6.672389      5.774257      8.056273
  H     -10.789919      5.850852      6.088151
  H     -12.254462      4.154342      4.971248
  H     -11.487788      1.792835      4.772380
  H      -9.282427      1.104423      5.646130
  N      -1.892582      2.460142      3.451667
  N      -1.718959      3.028635      2.400360
  H      -0.772666      2.954469      1.967918
98
Coordinates from ORCA-job orca E -6706.347104437934
  N      -2.391302      3.344882      5.861141
  Mo     -2.408578      1.520574      5.047327
  N      -3.082039      0.475499      6.626521
  C      -2.102680      0.208457      7.674193
  C      -1.137777      1.365903      7.809605
  N      -0.512886      1.734507      6.505970
  C      -0.073058      3.159749      6.538015
  C      -1.114028      4.025013      5.797034
  C       0.545739      0.783165      6.087132
  C       0.300260      0.436843      4.614604
  N      -1.092786      0.092621      4.527841
  H      -0.808504      4.148420      4.748972
  H      -1.162295      5.030741      6.242178
  H       0.924143      3.258934      6.092113
  H       0.003103      3.473737      7.589338
  H       0.958075     -0.383193      4.284443
  H       0.513448      1.321713      3.989652
  H       0.445068     -0.133915      6.683175
  H       1.544736      1.205827      6.270858
  H      -2.575662      0.049714      8.659051
  H      -1.562066     -0.733958      7.443574
  H      -1.696797      2.243649      8.154038
  H      -0.353746      1.147223      8.554564
  C      -3.385191      3.891912      6.768454
  C      -3.904006      5.270116      6.348487
  O      -5.005216      5.171539      5.423195
  C      -4.728010      5.283834      4.108053
  O      -3.615974      5.457443      3.641956
  C      -6.000647      5.184086      3.299153
  N      -6.980025      4.476868      3.847421
  C      -8.129879      4.359758      3.138674
  N      -8.397384      4.891566      1.959480
  C      -7.399832      5.618600      1.378760
  C      -7.628685      6.188298      0.102303
  C      -6.629082      6.900317     -0.522248
  C      -5.371838      7.077440      0.104945
  C      -5.118966      6.545968      1.351652
  C      -6.125077      5.799332      2.018645
  C      -1.500645     -1.292149      4.480622
  C      -2.077943     -1.731633      3.111336
  O      -2.607198     -0.660914      2.265319
  C      -3.449356      0.234595      2.743040
  O      -3.792457      0.268054      3.959105
  C      -4.039137      1.151273      1.729940
  N      -5.220481      1.630280      2.109527
  C      -5.843000      2.475388      1.259997
  N      -5.359530      2.963781      0.131105
  C      -4.131192      2.521526     -0.251409
  C      -3.571840      3.050790     -1.441176
  C      -2.354441      2.594163     -1.893751
  C      -1.655569      1.595426     -1.174484
  C      -2.161824      1.074271     -0.000925
  C      -3.406180      1.533311      0.505643
  C      -4.271754     -0.355835      6.737293
  C      -5.225281      0.025767      7.870176
  O      -5.800921      1.345830      7.735775
  C      -6.857134      1.438774      6.892126
  O      -7.247949      0.515751      6.199719
  C      -7.488488      2.810739      6.948910
  N      -6.778377      3.754498      7.550991
  C      -7.316889      4.996127      7.605605
  N      -8.486169      5.382252      7.136433
  C      -9.239300      4.424507      6.525514
  C     -10.505512      4.793770      6.007486
  C     -11.296572      3.855038      5.382789
  C     -10.850578      2.518289      5.253365
  C      -9.620091      2.126912      5.741111
  C      -8.779620      3.068475      6.392326
  H      -2.965535      4.004369      7.790636
  H      -4.241125      3.209532      6.855515
  H      -3.110842      5.883175      5.899793
  H      -4.315713      5.784508      7.225638
  H      -8.912700      3.753304      3.603919
  H      -8.605355      6.035229     -0.357825
  H      -6.803418      7.333710     -1.508432
  H      -4.594009      7.646988     -0.406127
  H      -4.149188      6.676747      1.826218
  H      -2.256838     -1.490186      5.252908
  H      -0.641857     -1.954291      4.687382
  H      -2.885301     -2.464462      3.249403
  H      -1.304558     -2.165662      2.468241
  H      -6.848540      2.788219      1.550719
  H      -4.142643      3.812700     -1.973389
  H      -1.925976      2.995581     -2.813287
  H      -0.699978      1.231937     -1.555769
  H      -1.602399      0.313209      0.536240
  H      -4.823238     -0.342536      5.792055
  H      -3.985548     -1.409553      6.937084
  H      -6.034888     -0.717202      7.908179
  H      -4.716131      0.056042      8.841960
  H      -6.707171      5.757875      8.101096
  H     -10.819354      5.831632      6.123275
  H     -12.270948      4.139732      4.982854
  H     -11.488026      1.786101      4.755444
  H      -9.280529      1.100933      5.626954
  N      -1.852684      2.467023      3.448756
  N      -1.670487      3.042884      2.401950
  H      -0.724121      2.953377      1.971878
98
Coordinates from ORCA-job orca E -6706.348995371497
  N      -2.415062      3.355135      5.858153
  Mo     -2.393655      1.530235      5.042211
  N      -3.071653      0.489035      6.622683
  C      -2.092891      0.227733      7.671845
  C      -1.130141      1.388271      7.792189
  N      -0.526132      1.748799      6.473499
  C      -0.082385      3.176991      6.500768
  C      -1.141373      4.047631      5.792814
  C       0.542906      0.796137      6.069662
  C       0.305680      0.430515      4.601887
  N      -1.089137      0.091371      4.506742
  H      -0.853330      4.196867      4.743599
  H      -1.191352      5.043279      6.259668
  H       0.901578      3.276108      6.026456
  H       0.025988      3.481184      7.552096
  H       0.963240     -0.395329      4.286289
  H       0.525962      1.306666      3.966857
  H       0.443160     -0.112681      6.678207
  H       1.537844      1.227382      6.254677
  H      -2.563667      0.075680      8.658683
  H      -1.552222     -0.715880      7.446231
  H      -1.687458      2.265972      8.138890
  H      -0.333093      1.178340      8.525035
  C      -3.396261      3.881613      6.791454
  C      -3.928575      5.260798      6.393118
  O      -5.020949      5.167375      5.456856
  C      -4.730733      5.306341      4.146993
  O      -3.613211      5.485627      3.696169
  C      -5.992993      5.206080      3.320550
  N      -6.986219      4.515025      3.864415
  C      -8.129141      4.402282      3.144471
  N      -8.377388      4.923082      1.956336
  C      -7.365914      5.633434      1.379382
  C      -7.575789      6.191114      0.094336
  C      -6.563340      6.887173     -0.527145
  C      -5.311628      7.059594      0.111936
  C      -5.076747      6.539210      1.366880
  C      -6.096427      5.808723      2.031479
  C      -1.505744     -1.291350      4.474196
  C      -2.106594     -1.734160      3.115650
  O      -2.646507     -0.667995      2.269512
  C      -3.466022      0.245544      2.749877
  O      -3.799493      0.294573      3.966392
  C      -4.055949      1.160169      1.731924
  N      -5.234718      1.643520      2.111815
  C      -5.861165      2.478333      1.254452
  N      -5.382674      2.951600      0.117373
  C      -4.155839      2.504850     -0.264654
  C      -3.601086      3.020551     -1.462657
  C      -2.383255      2.561999     -1.911911
  C      -1.679294      1.575356     -1.180560
  C      -2.182244      1.066196     -0.000721
  C      -3.428468      1.524475      0.500439
  C      -4.259075     -0.346406      6.735639
  C      -5.208479      0.026067      7.875040
  O      -5.793400      1.342382      7.742198
  C      -6.861395      1.423969      6.911922
  O      -7.251236      0.496033      6.225581
  C      -7.497577      2.794410      6.965205
  N      -6.799505      3.737038      7.582789
  C      -7.343711      4.975940      7.639225
  N      -8.508518      5.360453      7.158014
  C      -9.249170      4.404130      6.530022
  C     -10.510532      4.772151      5.999279
  C     -11.289407      3.835419      5.356749
  C     -10.835237      2.502062      5.220955
  C      -9.609560      2.111858      5.721386
  C      -8.781837      3.051188      6.391925
  H      -2.962714      3.988477      7.808198
  H      -4.245565      3.191712      6.879239
  H      -3.139661      5.891518      5.961737
  H      -4.352418      5.752924      7.277181
  H      -8.923759      3.809663      3.607127
  H      -8.548961      6.042026     -0.374354
  H      -6.723091      7.311529     -1.519666
  H      -4.523168      7.616720     -0.396482
  H      -4.111409      6.666911      1.850713
  H      -2.250822     -1.482383      5.259309
  H      -0.648030     -1.958782      4.667750
  H      -2.912709     -2.465222      3.268669
  H      -1.342972     -2.171547      2.463229
  H      -6.865667      2.793537      1.545651
  H      -4.175201      3.774459     -2.002513
  H      -1.957469      2.953196     -2.837002
  H      -0.721681      1.212283     -1.557025
  H      -1.618923      0.314441      0.545734
  H      -4.816584     -0.328075      5.794309
  H      -3.968434     -1.400459      6.926841
  H      -6.012514     -0.722610      7.915189
  H      -4.695355      0.059442      8.844539
  H      -6.743498      5.736400      8.148110
  H     -10.830424      5.807575      6.119885
  H     -12.260022      4.119080      4.947137
  H     -11.462723      1.771557      4.708194
  H      -9.263678      1.088501      5.603321
  N      -1.827558      2.476628      3.448961
  N      -1.642081      3.058215      2.404797
  H      -0.696678      2.958170      1.974836
98
Coordinates from ORCA-job orca E -6706.350624983766
  N      -2.431770      3.363574      5.853471
  Mo     -2.377522      1.538368      5.035722
  N      -3.062243      0.503419      6.618287
  C      -2.084851      0.250050      7.670910
  C      -1.120768      1.411347      7.774149
  N      -0.535501      1.759636      6.440628
  C      -0.084558      3.189664      6.458055
  C      -1.161963      4.067710      5.786408
  C       0.540968      0.802655      6.051405
  C       0.310561      0.416929      4.588891
  N      -1.086653      0.085493      4.485792
  H      -0.893335      4.244681      4.736680
  H      -1.211599      5.051985      6.276391
  H       0.882852      3.284518      5.950109
  H       0.062510      3.485555      7.507012
  H       0.965319     -0.417087      4.289438
  H       0.541234      1.282039      3.942307
  H       0.440455     -0.096923      6.673274
  H       1.532590      1.241141      6.236627
  H      -2.555187      0.109186      8.659471
  H      -1.546119     -0.696756      7.454067
  H      -1.673418      2.291634      8.121183
  H      -0.311508      1.208734      8.494871
  C      -3.400137      3.870392      6.812160
  C      -3.951973      5.246337      6.430513
  O      -5.034972      5.148232      5.483772
  C      -4.734273      5.305369      4.178202
  O      -3.615526      5.511394      3.741676
  C      -5.988901      5.212880      3.338282
  N      -6.995199      4.535618      3.875432
  C      -8.133016      4.433328      3.146174
  N      -8.364670      4.951941      1.953859
  C      -7.339445      5.646793      1.382486
  C      -7.532190      6.200302      0.092956
  C      -6.506410      6.880586     -0.524026
  C      -5.257932      7.040380      0.124356
  C      -5.039481      6.523852      1.383976
  C      -6.073333      5.809768      2.044677
  C      -1.513717     -1.294250      4.466428
  C      -2.134633     -1.738918      3.117307
  O      -2.680984     -0.675580      2.270920
  C      -3.478708      0.254785      2.753389
  O      -3.807852      0.316050      3.969526
  C      -4.065085      1.170034      1.729828
  N      -5.242050      1.657718      2.107346
  C      -5.869101      2.485239      1.242471
  N      -5.392419      2.945385      0.099557
  C      -4.166542      2.493765     -0.279827
  C      -3.611957      2.997350     -1.483115
  C      -2.392755      2.536313     -1.926057
  C      -1.686843      1.559632     -1.182819
  C      -2.190366      1.061342      0.001129
  C      -3.439273      1.520497      0.494373
  C      -4.249265     -0.332715      6.735967
  C      -5.195363      0.040160      7.877711
  O      -5.785118      1.353895      7.737381
  C      -6.862190      1.424084      6.917591
  O      -7.261406      0.485122      6.251912
  C      -7.508275      2.790139      6.971591
  N      -6.821098      3.734930      7.598008
  C      -7.376195      4.968750      7.660304
  N      -8.543065      5.345744      7.178379
  C      -9.272173      4.387494      6.539989
  C     -10.535185      4.748145      6.008012
  C     -11.302658      3.809832      5.354149
  C     -10.834379      2.482544      5.207065
  C      -9.607118      2.099485      5.709122
  C      -8.791549      3.040105      6.392585
  H      -2.951263      3.977335      7.822164
  H      -4.240270      3.170500      6.905659
  H      -3.170852      5.896660      6.014557
  H      -4.390601      5.716944      7.319116
  H      -8.939056      3.853081      3.604580
  H      -8.503325      6.060406     -0.382756
  H      -6.652775      7.301710     -1.519997
  H      -4.458423      7.584981     -0.380437
  H      -4.076741      6.642463      1.875207
  H      -2.249639     -1.477132      5.262297
  H      -0.658572     -1.967986      4.649543
  H      -2.941273     -2.466471      3.283289
  H      -1.380136     -2.181404      2.457726
  H      -6.872319      2.804982      1.532965
  H      -4.186973      3.745041     -2.030599
  H      -1.966347      2.918321     -2.854702
  H      -0.726669      1.196489     -1.552662
  H      -1.625734      0.317271      0.557121
  H      -4.811177     -0.313304      5.797446
  H      -3.956896     -1.386688      6.924745
  H      -5.996319     -0.711387      7.923400
  H      -4.680229      0.081106      8.845758
  H      -6.784294      5.730792      8.176581
  H     -10.865275      5.779420      6.136484
  H     -12.274520      4.087723      4.943496
  H     -11.452454      1.750961      4.684460
  H      -9.250724      1.080645      5.583511
  N      -1.797501      2.483008      3.450721
  N      -1.606390      3.067710      2.408459
  H      -0.661937      2.958176      1.979044
98
Coordinates from ORCA-job orca E -6706.352005031083
  N      -2.448527      3.374276      5.851019
  Mo     -2.369549      1.549228      5.029951
  N      -3.054555      0.519576      6.617452
  C      -2.073759      0.277441      7.670386
  C      -1.107001      1.438729      7.753326
  N      -0.542450      1.773577      6.404905
  C      -0.084120      3.204240      6.406355
  C      -1.183624      4.089843      5.778470
  C       0.537374      0.811501      6.024023
  C       0.306319      0.406129      4.567762
  N      -1.093691      0.082539      4.462982
  H      -0.939416      4.296599      4.728432
  H      -1.230414      5.061112      6.293625
  H       0.860691      3.292158      5.856512
  H       0.110767      3.493942      7.449194
  H       0.956144     -0.436902      4.283068
  H       0.546286      1.258710      3.907862
  H       0.438353     -0.078901      6.659082
  H       1.527050      1.256301      6.204227
  H      -2.540594      0.149355      8.662209
  H      -1.537473     -0.672716      7.462250
  H      -1.652323      2.322676      8.101841
  H      -0.284371      1.241586      8.459682
  C      -3.400366      3.860674      6.837829
  C      -3.968615      5.236004      6.479470
  O      -5.040573      5.140208      5.520270
  C      -4.728547      5.326946      4.221124
  O      -3.606845      5.552208      3.801470
  C      -5.971977      5.230661      3.364839
  N      -6.989061      4.565320      3.896702
  C      -8.120317      4.465862      3.157328
  N      -8.336279      4.976347      1.958715
  C      -7.299825      5.657624      1.391432
  C      -7.476669      6.201210      0.095475
  C      -6.440121      6.867798     -0.518366
  C      -5.196337      7.022651      0.139826
  C      -4.993172      6.515612      1.405987
  C      -6.038525      5.816069      2.064418
  C      -1.530119     -1.294218      4.458574
  C      -2.171799     -1.741599      3.120233
  O      -2.724419     -0.680592      2.274325
  C      -3.501538      0.264671      2.759421
  O      -3.825481      0.336527      3.976222
  C      -4.084960      1.180039      1.731079
  N      -5.262143      1.668758      2.104803
  C      -5.890996      2.487240      1.231885
  N      -5.416805      2.935113      0.083371
  C      -4.190074      2.482500     -0.292278
  C      -3.636124      2.974116     -1.500723
  C      -2.414066      2.513500     -1.936038
  C      -1.704009      1.549328     -1.180241
  C      -2.207539      1.061679      0.007946
  C      -3.460431      1.519745      0.492392
  C      -4.238196     -0.320012      6.746041
  C      -5.178065      0.051150      7.893501
  O      -5.782638      1.357659      7.746969
  C      -6.874348      1.408407      6.945015
  O      -7.270960      0.459878      6.291295
  C      -7.524992      2.772752      6.984476
  N      -6.850041      3.720403      7.619909
  C      -7.410593      4.952038      7.675202
  N      -8.573081      5.324072      7.179353
  C      -9.289590      4.363488      6.530412
  C     -10.547277      4.719841      5.983179
  C     -11.301835      3.779907      5.316733
  C     -10.824835      2.455598      5.171330
  C      -9.602767      2.076500      5.688928
  C      -8.800902      3.018392      6.386750
  H      -2.933688      3.963241      7.840085
  H      -4.232373      3.152570      6.937770
  H      -3.194146      5.907168      6.084851
  H      -4.422784      5.680149      7.373943
  H      -8.935367      3.895972      3.612513
  H      -8.444635      6.064635     -0.387562
  H      -6.574069      7.281408     -1.519208
  H      -4.387784      7.556121     -0.362463
  H      -4.034129      6.631024      1.904904
  H      -2.255644     -1.468215      5.266109
  H      -0.677298     -1.973655      4.631747
  H      -2.979252     -2.464835      3.300282
  H      -1.427643     -2.190382      2.453204
  H      -6.894189      2.808741      1.520208
  H      -4.213626      3.713243     -2.057105
  H      -1.987596      2.886552     -2.868295
  H      -0.740503      1.188205     -1.543280
  H      -1.640413      0.327217      0.574180
  H      -4.807826     -0.304119      5.812142
  H      -3.939401     -1.372392      6.933426
  H      -5.971152     -0.707820      7.951272
  H      -4.656434      0.105097      8.857327
  H      -6.827414      5.716414      8.197996
  H     -10.883452      5.749355      6.109848
  H     -12.269578      4.054383      4.894236
  H     -11.432181      1.722910      4.637800
  H      -9.240213      1.059719      5.565511
  N      -1.781820      2.492362      3.452428
  N      -1.587796      3.079397      2.411291
  H      -0.644833      2.965615      1.980678
98
Coordinates from ORCA-job orca E -6706.353174984568
  N      -2.468426      3.381194      5.850173
  Mo     -2.366917      1.557428      5.023953
  N      -3.047902      0.531630      6.617608
  C      -2.061655      0.303782      7.669736
  C      -1.092236      1.465054      7.732352
  N      -0.547130      1.787688      6.371250
  C      -0.085507      3.218502      6.352563
  C      -1.209795      4.109508      5.772797
  C       0.534443      0.822169      5.994335
  C       0.299316      0.398634      4.544386
  N      -1.102992      0.080376      4.440865
  H      -0.991074      4.347814      4.723954
  H      -1.254268      5.065893      6.314960
  H       0.831362      3.299461      5.756431
  H       0.161509      3.504749      7.385278
  H       0.944678     -0.452483      4.273594
  H       0.546702      1.238614      3.870974
  H       0.439673     -0.060055      6.641265
  H       1.522605      1.273454      6.166649
  H      -2.524207      0.189511      8.665177
  H      -1.527252     -0.649534      7.471344
  H      -1.629264      2.352741      8.083061
  H      -0.257304      1.271530      8.424712
  C      -3.405752      3.845733      6.862216
  C      -3.994268      5.217319      6.525065
  O      -5.052164      5.118834      5.551057
  C      -4.726817      5.334279      4.259592
  O      -3.602577      5.584125      3.860584
  C      -5.958026      5.240541      3.385125
  N      -6.988785      4.588444      3.907435
  C      -8.112924      4.499362      3.156347
  N      -8.310753      5.009177      1.954397
  C      -7.260085      5.675126      1.395394
  C      -7.418003      6.215920      0.095887
  C      -6.367458      6.866626     -0.511030
  C      -5.127919      7.007063      0.158028
  C      -4.942990      6.502694      1.428191
  C      -6.003355      5.819907      2.080547
  C      -1.545155     -1.294406      4.451431
  C      -2.205271     -1.745970      3.123664
  O      -2.764560     -0.687671      2.278054
  C      -3.525129      0.269135      2.765048
  O      -3.843637      0.349607      3.982855
  C      -4.106452      1.183937      1.733228
  N      -5.285710      1.670266      2.102353
  C      -5.917249      2.479391      1.222002
  N      -5.445622      2.917140      0.068783
  C      -4.216446      2.467161     -0.302478
  C      -3.663141      2.949089     -1.514990
  C      -2.436705      2.492403     -1.941877
  C      -1.720726      1.542191     -1.173871
  C      -2.224020      1.063373      0.017899
  C      -3.482314      1.517142      0.492753
  C      -4.228410     -0.309256      6.760936
  C      -5.160692      0.068381      7.911930
  O      -5.770014      1.371107      7.753063
  C      -6.868945      1.407454      6.960402
  O      -7.272817      0.445158      6.331587
  C      -7.530809      2.766376      6.994069
  N      -6.872696      3.718159      7.641150
  C      -7.445855      4.944026      7.694902
  N      -8.607409      5.305959      7.189460
  C      -9.306069      4.341625      6.526937
  C     -10.561126      4.687919      5.967408
  C     -11.296655      3.744734      5.284369
  C     -10.802053      2.427501      5.133696
  C      -9.582632      2.057885      5.664285
  C      -8.800948      3.002803      6.380560
  H      -2.922730      3.946694      7.856695
  H      -4.227694      3.127195      6.969261
  H      -3.228381      5.911827      6.154691
  H      -4.467961      5.632989      7.423093
  H      -8.939415      3.940852      3.604576
  H      -8.383103      6.089486     -0.395528
  H      -6.486693      7.278086     -1.514602
  H      -4.307613      7.527590     -0.338767
  H      -3.987457      6.608005      1.935723
  H      -2.260397     -1.460553      5.269818
  H      -0.693559     -1.977515      4.616560
  H      -3.012764     -2.465702      3.316960
  H      -1.470702     -2.200507      2.449942
  H      -6.920960      2.801423      1.508055
  H      -4.244134      3.678573     -2.080372
  H      -2.010371      2.858344     -2.877028
  H      -0.752965      1.185753     -1.530090
  H      -1.653228      0.339891      0.594607
  H      -4.805792     -0.299525      5.831536
  H      -3.925682     -1.360018      6.951132
  H      -5.950658     -0.692681      7.983533
  H      -4.633329      0.135288      8.871767
  H      -6.875978      5.711874      8.227162
  H     -10.910032      5.712781      6.097203
  H     -12.262165      4.011501      4.851967
  H     -11.393746      1.692483      4.585967
  H      -9.207147      1.046147      5.537848
  N      -1.775562      2.500362      3.453471
  N      -1.579562      3.089707      2.413751
  H      -0.637406      2.977373      1.982250
98
Coordinates from ORCA-job orca E -6706.354212147565
  N      -2.477696      3.390475      5.853340
  Mo     -2.365875      1.568858      5.019139
  N      -3.041421      0.546453      6.619731
  C      -2.047590      0.331039      7.668534
  C      -1.071501      1.488587      7.711226
  N      -0.544055      1.798654      6.339647
  C      -0.077120      3.226892      6.297932
  C      -1.223358      4.126745      5.770994
  C       0.533155      0.826948      5.961238
  C       0.287652      0.388573      4.517580
  N      -1.117878      0.079712      4.419728
  H      -1.029972      4.397591      4.725051
  H      -1.261304      5.066304      6.342025
  H       0.806830      3.297874      5.652783
  H       0.226651      3.510695      7.316282
  H       0.925182     -0.472140      4.258214
  H       0.542951      1.215539      3.831023
  H       0.442283     -0.048186      6.618275
  H       1.522469      1.280126      6.122191
  H      -2.504143      0.231279      8.668317
  H      -1.517753     -0.626593      7.478770
  H      -1.595840      2.381909      8.065540
  H      -0.226088      1.293066      8.390000
  C      -3.400672      3.838941      6.886388
  C      -4.009048      5.205700      6.567047
  O      -5.052547      5.104001      5.578275
  C      -4.718039      5.346975      4.294120
  O      -3.594538      5.626968      3.912832
  C      -5.940188      5.252397      3.406739
  N      -6.981250      4.613305      3.925009
  C      -8.101232      4.531131      3.167410
  N      -8.286746      5.037138      1.961882
  C      -7.225169      5.687458      1.405293
  C      -7.370458      6.222707      0.102022
  C      -6.309680      6.857848     -0.503459
  C      -5.071899      6.986938      0.170987
  C      -4.899010      6.487872      1.445044
  C      -5.970569      5.822076      2.097086
  C      -1.568764     -1.292088      4.445426
  C      -2.248415     -1.746017      3.128558
  O      -2.809776     -0.688112      2.283136
  C      -3.552803      0.281028      2.771659
  O      -3.863898      0.370135      3.990903
  C      -4.128092      1.197327      1.737328
  N      -5.308275      1.686012      2.099906
  C      -5.937358      2.488474      1.211045
  N      -5.465322      2.912910      0.053145
  C      -4.234927      2.460752     -0.311577
  C      -3.678859      2.929115     -1.528099
  C      -2.448724      2.472118     -1.943927
  C      -1.730809      1.535532     -1.161074
  C      -2.237335      1.069157      0.034190
  C      -3.500499      1.522794      0.496614
  C      -4.217272     -0.297386      6.778007
  C      -5.143556      0.084212      7.932628
  O      -5.768713      1.377948      7.762679
  C      -6.882448      1.392221      6.990057
  O      -7.287551      0.416821      6.382357
  C      -7.548709      2.749192      7.004844
  N      -6.903882      3.705537      7.658743
  C      -7.483122      4.928778      7.702714
  N      -8.640734      5.283748      7.183339
  C      -9.325481      4.315410      6.512401
  C     -10.575458      4.654896      5.937527
  C     -11.296073      3.708536      5.243075
  C     -10.790387      2.395203      5.095174
  C      -9.576152      2.031732      5.641801
  C      -8.810605      2.979433      6.371786
  H      -2.902007      3.940921      7.872831
  H      -4.213384      3.111779      7.002417
  H      -3.252237      5.922647      6.221491
  H      -4.503228      5.593133      7.466764
  H      -8.936181      3.983476      3.613243
  H      -8.334478      6.104072     -0.393442
  H      -6.419159      7.265079     -1.509875
  H      -4.242807      7.494589     -0.324608
  H      -3.945173      6.585748      1.957136
  H      -2.274143     -1.448029      5.274388
  H      -0.720386     -1.980965      4.603474
  H      -3.058741     -2.458911      3.334893
  H      -1.525461     -2.209492      2.448376
  H      -6.940073      2.816519      1.493317
  H      -4.259924      3.649239     -2.105160
  H      -2.020169      2.828067     -2.881956
  H      -0.759531      1.180270     -1.508797
  H      -1.666208      0.356052      0.623561
  H      -4.801267     -0.296802      5.852443
  H      -3.908348     -1.345593      6.972536
  H      -5.924408     -0.684264      8.022371
  H      -4.608427      0.169873      8.886620
  H      -6.922754      5.700716      8.239251
  H     -10.931943      5.677546      6.064195
  H     -12.257485      3.970152      4.798524
  H     -11.369516      1.657921      4.537113
  H      -9.193349      1.022424      5.518835
  N      -1.771933      2.512220      3.455175
  N      -1.572002      3.103729      2.417114
  H      -0.629786      2.993764      1.986209
98
Coordinates from ORCA-job orca E -6706.355165435642
  N      -2.499542      3.394457      5.860387
  Mo     -2.375656      1.577430      5.015004
  N      -3.034360      0.554086      6.624230
  C      -2.029156      0.354547      7.666055
  C      -1.050938      1.511922      7.687634
  N      -0.544162      1.813834      6.306875
  C      -0.081573      3.240767      6.241564
  C      -1.253326      4.144268      5.773714
  C       0.530657      0.842525      5.920894
  C       0.270731      0.391383      4.483780
  N      -1.136419      0.084508      4.398318
  H      -1.087429      4.452205      4.733042
  H      -1.288276      5.063778      6.376640
  H       0.764206      3.308331      5.546575
  H       0.280664      3.523809      7.241324
  H       0.904024     -0.474659      4.231273
  H       0.525697      1.208191      3.785044
  H       0.451173     -0.027624      6.585981
  H       1.520072      1.301004      6.066413
  H      -2.476374      0.267030      8.671306
  H      -1.500449     -0.605086      7.483253
  H      -1.564914      2.408702      8.047465
  H      -0.194750      1.315680      8.352601
  C      -3.411013      3.823343      6.911550
  C      -4.038098      5.185373      6.611627
  O      -5.065252      5.083686      5.606507
  C      -4.716730      5.360720      4.333176
  O      -3.591045      5.663460      3.976091
  C      -5.923845      5.266382      3.424680
  N      -6.978956      4.640102      3.930132
  C      -8.088909      4.566148      3.157624
  N      -8.253221      5.070406      1.948197
  C      -7.176757      5.705546      1.403183
  C      -7.299166      6.236321      0.095688
  C      -6.223208      6.854896     -0.499861
  C      -4.992189      6.970505      0.189141
  C      -4.841393      6.475837      1.467778
  C      -5.929459      5.827869      2.110806
  C      -1.587734     -1.287076      4.440694
  C      -2.286421     -1.748040      3.136470
  O      -2.854584     -0.693419      2.291033
  C      -3.585712      0.283682      2.781183
  O      -3.887033      0.379934      4.002492
  C      -4.160274      1.198310      1.745659
  N      -5.344350      1.681809      2.102319
  C      -5.975892      2.474408      1.205970
  N      -5.506264      2.888869      0.043548
  C      -4.271670      2.442891     -0.314897
  C      -3.716610      2.902076     -1.535338
  C      -2.480314      2.452984     -1.941392
  C      -1.754314      1.534238     -1.144874
  C      -2.260407      1.076353      0.053757
  C      -3.530810      1.521105      0.505076
  C      -4.204046     -0.293018      6.801990
  C      -5.122059      0.098454      7.959644
  O      -5.754301      1.386386      7.774861
  C      -6.876029      1.383949      7.013826
  O      -7.285884      0.395302      6.431144
  C      -7.550161      2.737219      7.016328
  N      -6.924781      3.696024      7.685651
  C      -7.515110      4.913888      7.726307
  N      -8.668648      5.260760      7.192234
  C      -9.332568      4.290670      6.503428
  C     -10.576653      4.622037      5.911181
  C     -11.274856      3.674845      5.195327
  C     -10.751277      2.369146      5.041882
  C      -9.543116      2.013062      5.606557
  C      -8.801633      2.961052      6.360639
  H      -2.898906      3.925308      7.890812
  H      -4.214162      3.086693      7.033594
  H      -3.289937      5.924155      6.294024
  H      -4.552831      5.542736      7.512351
  H      -8.935381      4.028522      3.593458
  H      -8.258354      6.126766     -0.411083
  H      -6.315081      7.258610     -1.509438
  H      -4.150178      7.464357     -0.298574
  H      -3.893163      6.565008      1.991570
  H      -2.281134     -1.435964      5.280921
  H      -0.738568     -1.976606      4.591501
  H      -3.096371     -2.456948      3.357461
  H      -1.574332     -2.218405      2.449557
  H      -6.979927      2.801470      1.484563
  H      -4.302176      3.609706     -2.123154
  H      -2.052447      2.802499     -2.882161
  H      -0.777605      1.186697     -1.485067
  H      -1.684066      0.377479      0.655005
  H      -4.796039     -0.304271      5.881229
  H      -3.889434     -1.338190      7.003915
  H      -5.897802     -0.672628      8.068777
  H      -4.578451      0.201551      8.907151
  H      -6.970384      5.688044      8.275622
  H     -10.945894      5.639752      6.040964
  H     -12.231350      3.930446      4.736894
  H     -11.311757      1.631629      4.465395
  H      -9.147778      1.008965      5.480810
  N      -1.789777      2.525551      3.454800
  N      -1.590603      3.120390      2.418732
  H      -0.647229      3.020251      1.989021
98
Coordinates from ORCA-job orca E -6706.356068941142
  N      -2.507735      3.398594      5.872679
  Mo     -2.385271      1.586860      5.015133
  N      -3.023876      0.563573      6.634397
  C      -2.006538      0.378433      7.667438
  C      -1.023473      1.532918      7.665769
  N      -0.537211      1.823788      6.276429
  C      -0.075660      3.246764      6.185343
  C      -1.267060      4.157170      5.779534
  C       0.530005      0.850001      5.879602
  C       0.249903      0.388823      4.449298
  N      -1.159558      0.088066      4.381430
  H      -1.128124      4.501406      4.745891
  H      -1.294246      5.055579      6.413800
  H       0.728354      3.307876      5.441655
  H       0.347127      3.530428      7.161528
  H       0.876058     -0.483292      4.199488
  H       0.503124      1.196533      3.739483
  H       0.461826     -0.015726      6.551786
  H       1.521727      1.309494      6.006365
  H      -2.442658      0.304370      8.678812
  H      -1.480985     -0.584266      7.491453
  H      -1.524104      2.435288      8.030052
  H      -0.158219      1.333325      8.318110
  C      -3.409826      3.817285      6.935519
  C      -4.052665      5.174453      6.647419
  O      -5.065579      5.072254      5.628198
  C      -4.708140      5.378151      4.364067
  O      -3.584060      5.708055      4.026129
  C      -5.905270      5.286379      3.441440
  N      -6.972299      4.675451      3.940327
  C      -8.076828      4.611183      3.159864
  N      -8.226072      5.113374      1.947469
  C      -7.136977      5.731018      1.407699
  C      -7.243422      6.257825      0.097078
  C      -6.155110      6.858131     -0.494481
  C      -4.926924      6.958444      0.201959
  C      -4.791480      6.467942      1.483920
  C      -5.892931      5.839407      2.123790
  C      -1.614343     -1.282287      4.440880
  C      -2.334728     -1.748906      3.150595
  O      -2.906075     -0.695989      2.305002
  C      -3.622853      0.290597      2.797326
  O      -3.911410      0.394996      4.020605
  C      -4.194471      1.205624      1.761522
  N      -5.379963      1.689418      2.113083
  C      -6.010350      2.475637      1.209881
  N      -5.541713      2.877802      0.042685
  C      -4.305238      2.432257     -0.309926
  C      -3.749580      2.879696     -1.534522
  C      -2.509056      2.433652     -1.931190
  C      -1.778695      1.530412     -1.120962
  C      -2.286045      1.083404      0.081091
  C      -3.561737      1.523783      0.521670
  C      -4.186228     -0.288737      6.829581
  C      -5.101284      0.111344      7.986727
  O      -5.746887      1.389717      7.784498
  C      -6.877731      1.365784      7.037243
  O      -7.290733      0.362867      6.481806
  C      -7.557285      2.716356      7.019171
  N      -6.950425      3.679707      7.699042
  C      -7.549903      4.893155      7.729998
  N      -8.698712      5.230792      7.179600
  C      -9.342490      4.256680      6.477730
  C     -10.580136      4.578336      5.866723
  C     -11.256182      3.628083      5.133914
  C     -10.715240      2.329432      4.980180
  C      -9.513676      1.982331      5.564128
  C      -8.796730      2.932564      6.338756
  H      -2.885891      3.923319      7.908026
  H      -4.205620      3.074307      7.065553
  H      -3.311996      5.929884      6.352471
  H      -4.585101      5.507892      7.547239
  H      -8.933136      4.085436      3.591152
  H      -8.200760      6.158949     -0.415333
  H      -6.234753      7.258580     -1.506394
  H      -4.074358      7.437218     -0.282486
  H      -3.845989      6.547322      2.013975
  H      -2.295470     -1.421982      5.292526
  H      -0.765910     -1.974247      4.584203
  H      -3.146682     -2.450319      3.387514
  H      -1.636139     -2.229605      2.456948
  H      -7.013158      2.808149      1.486196
  H      -4.336582      3.576817     -2.133244
  H      -2.080773      2.774786     -2.874848
  H      -0.798073      1.186704     -1.453711
  H      -1.707139      0.396883      0.694249
  H      -4.782627     -0.314902      5.911628
  H      -3.864395     -1.329622      7.042047
  H      -5.868038     -0.665613      8.115175
  H      -4.551515      0.236417      8.928097
  H      -7.018948      5.671890      8.286375
  H     -10.961527      5.591739      5.995085
  H     -12.207396      3.876437      4.660730
  H     -11.256999      1.590094      4.388316
  H      -9.106367      0.982787      5.439940
  N      -1.809856      2.539472      3.456335
  N      -1.609922      3.136714      2.421719
  H      -0.664777      3.043786      1.994848
98
Coordinates from ORCA-job orca E -6706.356948393794
  N      -2.519118      3.400076      5.886874
  Mo     -2.401477      1.595939      5.015246
  N      -3.013655      0.570572      6.644627
  C      -1.984132      0.400050      7.667828
  C      -0.998631      1.553292      7.642695
  N      -0.534509      1.834078      6.245132
  C      -0.076655      3.253347      6.128298
  C      -1.284958      4.169088      5.786574
  C       0.525788      0.860304      5.835253
  C       0.223893      0.392003      4.411453
  N      -1.186938      0.094730      4.364449
  H      -1.173462      4.550151      4.762205
  H      -1.304037      5.044783      6.452148
  H       0.682182      3.307974      5.338140
  H       0.404486      3.539875      7.076687
  H       0.844425     -0.483456      4.159319
  H       0.470447      1.194171      3.693045
  H       0.471815     -0.002333      6.512823
  H       1.519251      1.321478      5.942194
  H      -2.408383      0.337753      8.685290
  H      -1.459994     -0.564595      7.497780
  H      -1.487646      2.460400      8.011121
  H      -0.124796      1.351826      8.283192
  C      -3.414431      3.808786      6.958569
  C      -4.072118      5.160840      6.680297
  O      -5.071606      5.058784      5.648131
  C      -4.703733      5.393762      4.394411
  O      -3.580445      5.746364      4.077187
  C      -5.887782      5.305124      3.454122
  N      -6.967817      4.708057      3.941057
  C      -8.062636      4.651692      3.146998
  N      -8.191409      5.151517      1.931094
  C      -7.088336      5.753499      1.402486
  C      -7.172615      6.275874      0.088315
  C      -6.069844      6.859024     -0.493357
  C      -4.848426      6.945378      0.216819
  C      -4.734408      6.459244      1.502492
  C      -5.851697      5.849566      2.133232
  C      -1.641547     -1.275563      4.440318
  C      -2.383191     -1.749450      3.164759
  O      -2.958734     -0.699216      2.318874
  C      -3.662841      0.295262      2.813666
  O      -3.938077      0.407611      4.038781
  C      -4.232546      1.210135      1.777409
  N      -5.420859      1.691436      2.122739
  C      -6.050244      2.470911      1.212606
  N      -5.581308      2.863019      0.041997
  C      -4.341363      2.421022     -0.303092
  C      -3.784370      2.859255     -1.530478
  C      -2.538315      2.419294     -1.916842
  C      -1.803343      1.531833     -1.093258
  C      -2.312870      1.092924      0.110683
  C      -3.595021      1.525716      0.539762
  C      -4.168257     -0.286866      6.858229
  C      -5.078681      0.126145      8.014215
  O      -5.732355      1.396595      7.792084
  C      -6.870644      1.353014      7.057181
  O      -7.286306      0.337413      6.527604
  C      -7.555745      2.700747      7.019935
  N      -6.968901      3.668080      7.711718
  C      -7.581373      4.874924      7.738520
  N      -8.729105      5.200595      7.178162
  C      -9.351030      4.222820      6.461948
  C     -10.586677      4.531053      5.839734
  C     -11.238421      3.578102      5.088613
  C     -10.673586      2.290691      4.925411
  C      -9.474606      1.956062      5.521668
  C      -8.784730      2.907832      6.318527
  H      -2.880435      3.919490      7.925193
  H      -4.202687      3.059025      7.095182
  H      -3.338023      5.929622      6.404339
  H      -4.619707      5.473608      7.578728
  H      -8.929591      4.136124      3.568962
  H      -8.125150      6.186499     -0.434675
  H      -6.132508      7.255970     -1.507845
  H      -3.983558      7.409717     -0.259854
  H      -3.794518      6.529415      2.043546
  H      -2.309676     -1.408130      5.303087
  H      -0.791855     -1.967449      4.575638
  H      -3.196071     -2.443908      3.418322
  H      -1.697854     -2.240206      2.464885
  H      -7.053880      2.804416      1.484513
  H      -4.373323      3.545331     -2.139902
  H      -2.108966      2.754107     -2.862282
  H      -0.817740      1.194276     -1.417512
  H      -1.730917      0.419125      0.735287
  H      -4.769441     -0.329522      5.943760
  H      -3.839650     -1.322879      7.083651
  H      -5.839286     -0.653168      8.162727
  H      -4.521943      0.272116      8.948621
  H      -7.065179      5.657932      8.302832
  H     -10.985151      5.537221      5.973074
  H     -12.187682      3.816444      4.606414
  H     -11.194955      1.550112      4.317001
  H      -9.050755      0.963887      5.393132
  N      -1.841404      2.555818      3.457076
  N      -1.641094      3.155883      2.424161
  H      -0.692518      3.071862      2.003274
98
Coordinates from ORCA-job orca E -6706.357695485429
  N      -2.523371      3.400568      5.899668
  Mo     -2.417800      1.602198      5.018347
  N      -3.001568      0.580728      6.662671
  C      -1.957034      0.422425      7.673106
  C      -0.964716      1.570491      7.619663
  N      -0.527448      1.835811      6.209953
  C      -0.067105      3.249934      6.063962
  C      -1.292501      4.174252      5.788346
  C       0.520891      0.856183      5.785949
  C       0.190832      0.378189      4.370651
  N      -1.223061      0.090617      4.348487
  H      -1.211215      4.589418      4.771848
  H      -1.298101      5.028314      6.483447
  H       0.645153      3.293092      5.222622
  H       0.477653      3.538795      6.984271
  H       0.800454     -0.503958      4.116665
  H       0.433271      1.171712      3.641028
  H       0.478524     -0.001245      6.471662
  H       1.518156      1.315423      5.869286
  H      -2.366567      0.374296      8.698280
  H      -1.438563     -0.546126      7.507888
  H      -1.437468      2.484734      7.992705
  H      -0.079354      1.365730      8.244689
  C      -3.410939      3.808108      6.974358
  C      -4.076815      5.155671      6.702020
  O      -5.065278      5.061793      5.658287
  C      -4.693497      5.431802      4.412233
  O      -3.572813      5.805163      4.111808
  C      -5.870804      5.355122      3.459401
  N      -6.965959      4.776333      3.939484
  C      -8.055533      4.732646      3.136040
  N      -8.165531      5.228224      1.914739
  C      -7.047465      5.810493      1.391999
  C      -7.112797      6.325607      0.071615
  C      -5.995901      6.888161     -0.506305
  C      -4.779329      6.961533      0.215272
  C      -4.683992      6.483848      1.508113
  C      -5.815159      5.893236      2.134577
  C      -1.685016     -1.277575      4.444961
  C      -2.455059     -1.758110      3.186198
  O      -3.028728     -0.708631      2.338953
  C      -3.712973      0.302113      2.835221
  O      -3.978056      0.426009      4.061344
  C      -4.271526      1.221973      1.796692
  N      -5.459815      1.709970      2.133277
  C      -6.080703      2.488543      1.216812
  N      -5.606323      2.867763      0.044899
  C      -4.365694      2.419781     -0.291111
  C      -3.800504      2.848014     -1.517121
  C      -2.550781      2.406348     -1.889842
  C      -1.819291      1.528630     -1.052982
  C      -2.336962      1.099806      0.149898
  C      -3.624250      1.532009      0.563262
  C      -4.147513     -0.282610      6.900718
  C      -5.049499      0.141150      8.059952
  O      -5.716827      1.400529      7.816190
  C      -6.866905      1.325520      7.098040
  O      -7.286601      0.288557      6.606902
  C      -7.561211      2.668558      7.026661
  N      -6.993320      3.651121      7.708352
  C      -7.619164      4.852372      7.708525
  N      -8.766203      5.157317      7.134827
  C      -9.367143      4.163920      6.427047
  C     -10.599600      4.449479      5.787880
  C     -11.226332      3.481458      5.039080
  C     -10.639035      2.201354      4.895744
  C      -9.443837      1.887859      5.511122
  C      -8.781030      2.854875      6.306420
  H      -2.868811      3.925620      7.935393
  H      -4.194631      3.055429      7.117090
  H      -3.348030      5.932601      6.444862
  H      -4.634790      5.449560      7.597867
  H      -8.936329      4.234303      3.554618
  H      -8.062477      6.245659     -0.459413
  H      -6.043549      7.278532     -1.526131
  H      -3.902224      7.407793     -0.259362
  H      -3.749070      6.548196      2.058706
  H      -2.338861     -1.397789      5.322123
  H      -0.836727     -1.973401      4.570686
  H      -3.273719     -2.440028      3.460361
  H      -1.787563     -2.265531      2.478598
  H      -7.082007      2.833911      1.484579
  H      -4.384565      3.529648     -2.135987
  H      -2.115181      2.733952     -2.833996
  H      -0.829917      1.191703     -1.365694
  H      -1.757853      0.434709      0.786541
  H      -4.758005     -0.343463      5.992179
  H      -3.808426     -1.312867      7.138487
  H      -5.801244     -0.642950      8.232462
  H      -4.482748      0.311587      8.985956
  H      -7.116075      5.649433      8.261111
  H     -11.014542      5.451319      5.904232
  H     -12.172632      3.702663      4.542924
  H     -11.139859      1.449741      4.287613
  H      -9.003417      0.900521      5.399266
  N      -1.866349      2.565839      3.462200
  N      -1.662406      3.170458      2.432375
  H      -0.709315      3.098577      2.020640
98
Coordinates from ORCA-job orca E -6706.358121035324
  N      -2.532998      3.396129      5.904034
  Mo     -2.444108      1.604317      5.011500
  N      -2.997747      0.588550      6.671993
  C      -1.941793      0.438484      7.669896
  C      -0.945379      1.580733      7.592155
  N      -0.533917      1.831532      6.173924
  C      -0.075103      3.240144      6.002456
  C      -1.302753      4.172343      5.789583
  C       0.503444      0.846864      5.737593
  C       0.147416      0.360555      4.330231
  N      -1.269029      0.083102      4.330555
  H      -1.242905      4.620890      4.788582
  H      -1.292389      5.001586      6.513282
  H       0.586236      3.272633      5.125423
  H       0.519181      3.531260      6.885101
  H       0.747471     -0.527048      4.073044
  H       0.384024      1.147045      3.591536
  H       0.473274     -0.005949      6.429716
  H       1.503928      1.303439      5.799180
  H      -2.338366      0.402377      8.700458
  H      -1.427848     -0.533128      7.508879
  H      -1.402906      2.501386      7.968162
  H      -0.051673      1.371717      8.203687
  C      -3.420633      3.803492      6.977602
  C      -4.101154      5.148764      6.712307
  O      -5.074111      5.058088      5.651798
  C      -4.695548      5.468833      4.414322
  O      -3.580562      5.879724      4.132847
  C      -5.862783      5.388182      3.450122
  N      -6.957340      4.814677      3.924383
  C      -8.041934      4.771360      3.117382
  N      -8.148230      5.262309      1.897318
  C      -7.031996      5.838177      1.380140
  C      -7.097501      6.347644      0.061974
  C      -5.984321      6.903110     -0.513511
  C      -4.771421      6.974596      0.209229
  C      -4.676217      6.504509      1.501298
  C      -5.803792      5.920680      2.125969
  C      -1.735684     -1.282480      4.447315
  C      -2.526573     -1.768872      3.206165
  O      -3.094398     -0.719571      2.356402
  C      -3.760235      0.307079      2.846718
  O      -4.020208      0.441935      4.067249
  C      -4.296068      1.233562      1.800900
  N      -5.485937      1.728404      2.113937
  C      -6.088126      2.506453      1.184641
  N      -5.596690      2.871924      0.017923
  C      -4.352883      2.417818     -0.293456
  C      -3.766930      2.834405     -1.511498
  C      -2.511313      2.389380     -1.856140
  C      -1.793053      1.522806     -0.996786
  C      -2.330777      1.106804      0.199464
  C      -3.626277      1.537994      0.581013
  C      -4.136741     -0.277863      6.932166
  C      -5.027046      0.151365      8.100232
  O      -5.695936      1.407615      7.853746
  C      -6.846223      1.323463      7.146050
  O      -7.261773      0.281972      6.666233
  C      -7.547924      2.663212      7.064388
  N      -7.006745      3.653613      7.767591
  C      -7.648605      4.846983      7.764051
  N      -8.791665      5.134300      7.174166
  C      -9.362822      4.132347      6.442081
  C     -10.587801      4.397510      5.779751
  C     -11.178592      3.420125      4.997242
  C     -10.563413      2.150543      4.845806
  C      -9.377350      1.855560      5.488695
  C      -8.752257      2.832810      6.316065
  H      -2.876293      3.928641      7.936264
  H      -4.198386      3.042883      7.122944
  H      -3.376662      5.942828      6.477517
  H      -4.680390      5.419594      7.607777
  H      -8.923277      4.281138      3.532425
  H      -8.044676      6.267625     -0.469246
  H      -6.031851      7.288436     -1.531965
  H      -3.895693      7.410810     -0.266334
  H      -3.744992      6.571932      2.052769
  H      -2.377434     -1.390496      5.332597
  H      -0.890216     -1.981395      4.568241
  H      -3.349407     -2.436837      3.496809
  H      -1.875128     -2.292968      2.497474
  H      -7.088436      2.864440      1.436311
  H      -4.338489      3.511277     -2.146835
  H      -2.060248      2.707321     -2.794784
  H      -0.798002      1.185125     -1.286294
  H      -1.761873      0.451039      0.854900
  H      -4.757645     -0.348985      6.030536
  H      -3.789482     -1.304680      7.175180
  H      -5.775450     -0.629887      8.285217
  H      -4.451156      0.328091      9.019228
  H      -7.163695      5.652302      8.328516
  H     -11.024164      5.391940      5.900971
  H     -12.117907      3.626234      4.480570
  H     -11.035075      1.392658      4.208810
  H      -8.915677      0.875800      5.372472
  N      -1.892167      2.574029      3.458662
  N      -1.676085      3.184098      2.433375
  H      -0.712492      3.135856      2.046674
98
Coordinates from ORCA-job orca E -6706.358051680018
  N      -2.526206      3.402402      5.905395
  Mo     -2.458971      1.614839      5.007698
  N      -2.982756      0.606601      6.684241
  C      -1.919650      0.469515      7.674180
  C      -0.924018      1.608164      7.572402
  N      -0.532401      1.841449      6.149985
  C      -0.079975      3.245044      5.954681
  C      -1.296039      4.180180      5.792478
  C       0.494707      0.851013      5.706141
  C       0.118473      0.358612      4.305109
  N      -1.298785      0.087511      4.322812
  H      -1.247409      4.658391      4.812928
  H      -1.269959      4.982795      6.540792
  H       0.533846      3.269255      5.065264
  H       0.541019      3.540814      6.793829
  H       0.713316     -0.532167      4.044286
  H       0.347522      1.140986      3.560400
  H       0.474161      0.002130      6.402683
  H       1.497146      1.303528      5.750076
  H      -2.306931      0.446727      8.707726
  H      -1.406334     -0.504700      7.522421
  H      -1.370365      2.535152      7.944604
  H      -0.026475      1.399397      8.175672
  C      -3.416448      3.809822      6.976362
  C      -4.112439      5.149312      6.710470
  O      -5.077219      5.057288      5.645694
  C      -4.704021      5.454516      4.424701
  O      -3.591469      5.836701      4.152199
  C      -5.875433      5.404294      3.461292
  N      -6.995506      4.869024      3.939833
  C      -8.083358      4.857632      3.132820
  N      -8.171701      5.349382      1.910000
  C      -7.029994      5.890090      1.390501
  C      -7.077611      6.404860      0.073006
  C      -5.938253      6.925277     -0.505283
  C      -4.717933      6.957764      0.215315
  C      -4.640075      6.483185      1.506494
  C      -5.794468      5.933467      2.134114
  C      -1.763990     -1.275601      4.448134
  C      -2.569402     -1.761431      3.220815
  O      -3.141787     -0.712855      2.372217
  C      -3.794221      0.316449      2.862776
  O      -4.041646      0.458384      4.085635
  C      -4.314432      1.248873      1.814934
  N      -5.499000      1.767294      2.126198
  C      -6.081787      2.554505      1.192648
  N      -5.580879      2.896695      0.019477
  C      -4.341454      2.419243     -0.287889
  C      -3.745229      2.806153     -1.515898
  C      -2.492327      2.338325     -1.854456
  C      -1.785440      1.479934     -0.978338
  C      -2.333766      1.091341      0.227033
  C      -3.629848      1.540769      0.599101
  C      -4.107079     -0.275217      6.952162
  C      -5.008239      0.152854      8.111174
  O      -5.701404      1.393640      7.851593
  C      -6.854217      1.293459      7.155572
  O      -7.267963      0.247442      6.697326
  C      -7.558968      2.627273      7.062781
  N      -7.028287      3.617544      7.768137
  C      -7.673782      4.807104      7.757544
  N      -8.815182      5.087627      7.162211
  C      -9.373912      4.086039      6.425614
  C     -10.596565      4.344962      5.760280
  C     -11.174175      3.369444      4.979859
  C     -10.547205      2.108466      4.828642
  C      -9.363810      1.818336      5.472761
  C      -8.754462      2.792822      6.303071
  H      -2.869284      3.943506      7.931807
  H      -4.187583      3.042441      7.127622
  H      -3.395486      5.949791      6.486790
  H      -4.703871      5.406185      7.599417
  H      -8.985745      4.397971      3.549846
  H      -8.032541      6.356882     -0.454531
  H      -5.972592      7.315335     -1.521808
  H      -3.822790      7.366780     -0.261861
  H      -3.704826      6.527497      2.058710
  H      -2.395297     -1.380231      5.335999
  H      -0.918961     -1.975002      4.563546
  H      -3.389877     -2.423029      3.522268
  H      -1.929108     -2.290698      2.511395
  H      -7.075081      2.939437      1.444126
  H      -4.306280      3.478230     -2.165484
  H      -2.034741      2.631835     -2.802809
  H      -0.791743      1.124818     -1.263237
  H      -1.775626      0.438072      0.893263
  H      -4.720579     -0.367641      6.049572
  H      -3.745742     -1.293085      7.209695
  H      -5.740316     -0.640487      8.307154
  H      -4.435391      0.352383      9.024066
  H      -7.195576      5.614112      8.323245
  H     -11.041348      5.333797      5.879108
  H     -12.111822      3.571607      4.463331
  H     -11.008298      1.353707      4.192998
  H      -8.895744      0.844560      5.361369
  N      -1.909672      2.578970      3.455788
  N      -1.679588      3.187688      2.432438
  H      -0.705989      3.147594      2.068779
98
Coordinates from ORCA-job orca E -6706.358661888031
  N      -2.522097      3.415063      5.932070
  Mo     -2.455013      1.630867      5.027926
  N      -2.956208      0.622609      6.711169
  C      -1.876042      0.494867      7.686753
  C      -0.875736      1.632122      7.555148
  N      -0.512052      1.857154      6.118625
  C      -0.059035      3.260774      5.902768
  C      -1.300291      4.205798      5.803388
  C       0.506270      0.864210      5.659538
  C       0.105085      0.368936      4.268475
  N      -1.309775      0.097112      4.314515
  H      -1.285462      4.724863      4.823970
  H      -1.265440      4.989383      6.582451
  H       0.520920      3.282360      4.968192
  H       0.618829      3.550578      6.728036
  H       0.693030     -0.522430      4.000252
  H       0.322729      1.149277      3.518267
  H       0.495177      0.018310      6.360140
  H       1.508680      1.317117      5.683950
  H      -2.245785      0.481385      8.728729
  H      -1.368154     -0.482016      7.534874
  H      -1.312139      2.562488      7.932825
  H       0.036958      1.427085      8.140459
  C      -3.402732      3.804440      7.023466
  C      -4.109228      5.141129      6.771600
  O      -5.065382      5.044297      5.701095
  C      -4.679606      5.487663      4.486186
  O      -3.567097      5.927967      4.232963
  C      -5.835090      5.424806      3.504781
  N      -6.955347      4.882184      3.965602
  C      -8.031141      4.866095      3.143223
  N      -8.104006      5.353786      1.916145
  C      -6.957741      5.895158      1.410426
  C      -6.981325      6.394501      0.081047
  C      -5.833274      6.910451     -0.484883
  C      -4.629433      6.956771      0.261402
  C      -4.576191      6.499569      1.565139
  C      -5.737764      5.950147      2.177227
  C      -1.777759     -1.265793      4.455469
  C      -2.622597     -1.758340      3.243763
  O      -3.209292     -0.715536      2.395094
  C      -3.841234      0.322535      2.900845
  O      -4.063507      0.484009      4.144530
  C      -4.377638      1.249402      1.857492
  N      -5.561305      1.763133      2.186118
  C      -6.159701      2.542202      1.253653
  N      -5.675400      2.883439      0.069977
  C      -4.436550      2.412705     -0.252945
  C      -3.856755      2.799633     -1.491197
  C      -2.606343      2.334187     -1.847833
  C      -1.885903      1.476254     -0.981984
  C      -2.418160      1.087392      0.233432
  C      -3.711217      1.536954      0.625951
  C      -4.072448     -0.266066      6.990876
  C      -4.980723      0.174649      8.136326
  O      -5.696400      1.398857      7.843650
  C      -6.855863      1.267210      7.150462
  O      -7.263747      0.202234      6.724416
  C      -7.568225      2.592620      7.024617
  N      -7.051453      3.585754      7.732783
  C      -7.701311      4.771921      7.695762
  N      -8.834087      5.047179      7.067817
  C      -9.378600      4.044639      6.324919
  C     -10.591697      4.301808      5.626532
  C     -11.157758      3.329123      4.842275
  C     -10.526357      2.073329      4.713265
  C      -9.351263      1.784505      5.386947
  C      -8.754432      2.754739      6.229781
  H      -2.844863      3.931496      7.975623
  H      -4.166433      3.032508      7.179423
  H      -3.399961      5.951664      6.559849
  H      -4.706102      5.382516      7.660356
  H      -8.932713      4.399057      3.545287
  H      -7.924399      6.336976     -0.466104
  H      -5.848421      7.286935     -1.511483
  H      -3.727776      7.363160     -0.204416
  H      -3.653280      6.555818      2.138131
  H      -2.389050     -1.366962      5.367659
  H      -0.927044     -1.965737      4.549928
  H      -3.445455     -2.414710      3.573139
  H      -2.000947     -2.297232      2.515936
  H      -7.155840      2.910586      1.508646
  H      -4.427297      3.472622     -2.131746
  H      -2.160738      2.629056     -2.803088
  H      -0.893916      1.123620     -1.281542
  H      -1.849110      0.436381      0.893047
  H      -4.682938     -0.379176      6.089492
  H      -3.703803     -1.275977      7.264860
  H      -5.701414     -0.629723      8.351753
  H      -4.410370      0.405923      9.043641
  H      -7.238691      5.580999      8.271779
  H     -11.038383      5.288124      5.725944
  H     -12.088282      3.530487      4.301335
  H     -10.977588      1.321046      4.072455
  H      -8.882116      0.814124      5.293437
  N      -1.935870      2.588616      3.476842
  N      -1.721164      3.197286      2.452510
  H      -0.751377      3.152114      2.073611
98
Coordinates from ORCA-job orca E -6706.357254573109
  N      -2.556925      3.404315      5.934361
  Mo     -2.463339      1.624916      5.013130
  N      -2.971537      0.607662      6.692051
  C      -1.897004      0.485406      7.674013
  C      -0.900449      1.626133      7.547107
  N      -0.539385      1.855002      6.110762
  C      -0.091138      3.260959      5.889396
  C      -1.339860      4.205560      5.822601
  C       0.489257      0.868163      5.655893
  C       0.100090      0.372939      4.262882
  N      -1.314506      0.094252      4.298078
  H      -1.332714      4.750898      4.854355
  H      -1.304531      4.971872      6.621800
  H       0.464391      3.284796      4.927250
  H       0.620497      3.546220      6.701995
  H       0.694856     -0.515281      3.998727
  H       0.319350      1.152979      3.514230
  H       0.479590      0.023224      6.355713
  H       1.488811      1.329370      5.687812
  H      -2.273498      0.473318      8.712005
  H      -1.384289     -0.489637      7.527146
  H      -1.340464      2.554056      7.925185
  H       0.013458      1.423250      8.128300
  C      -3.440417      3.785733      7.019978
  C      -4.135252      5.112260      6.758046
  O      -5.085043      5.009075      5.682143
  C      -4.690859      5.470487      4.472721
  O      -3.580041      5.933875      4.231787
  C      -5.831102      5.395815      3.483263
  N      -6.949300      4.856849      3.937569
  C      -8.012790      4.833363      3.105168
  N      -8.072970      5.309163      1.874493
  C      -6.928979      5.844538      1.375519
  C      -6.942816      6.332903      0.044404
  C      -5.803511      6.854124     -0.506874
  C      -4.615401      6.912563      0.253566
  C      -4.568487      6.459890      1.555639
  C      -5.724024      5.909796      2.155164
  C      -1.771692     -1.268817      4.438099
  C      -2.602361     -1.757382      3.230225
  O      -3.190225     -0.713065      2.390967
  C      -3.827531      0.319975      2.886187
  O      -4.060626      0.470674      4.106554
  C      -4.364128      1.244658      1.841300
  N      -5.557864      1.727156      2.145902
  C      -6.164404      2.492874      1.207207
  N      -5.677760      2.850378      0.038017
  C      -4.428175      2.410129     -0.262094
  C      -3.846777      2.814149     -1.485673
  C      -2.583561      2.386088     -1.814350
  C      -1.854255      1.542029     -0.939711
  C      -2.391273      1.130023      0.255363
  C      -3.693393      1.549438      0.624793
  C      -4.094756     -0.271638      6.970842
  C      -4.991901      0.184186      8.117275
  O      -5.679647      1.419053      7.821185
  C      -6.850894      1.296031      7.143188
  O      -7.283384      0.232985      6.730632
  C      -7.556860      2.628591      7.018993
  N      -7.043452      3.618747      7.722197
  C      -7.700429      4.800618      7.719239
  N      -8.836977      5.074612      7.136228
  C      -9.375877      4.076203      6.399308
  C     -10.591073      4.329851      5.749023
  C     -11.142704      3.360229      4.953718
  C     -10.496581      2.110628      4.775897
  C      -9.322309      1.824974      5.410705
  C      -8.739893      2.792575      6.258031
  H      -2.887246      3.921816      7.972171
  H      -4.202419      3.013446      7.171470
  H      -3.426148      5.911977      6.552446
  H      -4.727685      5.356287      7.635012
  H      -8.919744      4.378395      3.508679
  H      -7.874428      6.267157     -0.512928
  H      -5.812965      7.225446     -1.533124
  H      -3.721396      7.327451     -0.197411
  H      -3.656831      6.524543      2.139213
  H      -2.380678     -1.374594      5.342609
  H      -0.921368     -1.965941      4.533180
  H      -3.418067     -2.412668      3.551143
  H      -1.977243     -2.293116      2.509536
  H      -7.167705      2.839130      1.449030
  H      -4.426746      3.470670     -2.136037
  H      -2.134321      2.698216     -2.753664
  H      -0.852376      1.218993     -1.216991
  H      -1.815149      0.490381      0.921799
  H      -4.710090     -0.376416      6.070090
  H      -3.735111     -1.285023      7.242666
  H      -5.726072     -0.603037      8.331205
  H      -4.419217      0.407740      9.026632
  H      -7.240271      5.605794      8.289756
  H     -11.049311      5.311121      5.887633
  H     -12.073694      3.557635      4.446990
  H     -10.935973      1.360317      4.126591
  H      -8.839397      0.858047      5.278041
  N      -1.929741      2.604063      3.464465
  N      -1.710903      3.222466      2.444430
  H      -0.740583      3.196098      2.075780
98
Coordinates from ORCA-job orca E -6706.354872161486
  N      -2.570277      3.402443      5.936239
  Mo     -2.491493      1.621212      5.016216
  N      -2.964436      0.606426      6.704666
  C      -1.879187      0.485161      7.673838
  C      -0.888451      1.628235      7.537759
  N      -0.546543      1.857670      6.098640
  C      -0.108477      3.264379      5.872769
  C      -1.350226      4.200175      5.820218
  C       0.477475      0.873304      5.630308
  C       0.067810      0.375333      4.241424
  N      -1.347053      0.094615      4.293950
  H      -1.344259      4.740432      4.864669
  H      -1.305629      4.958929      6.613878
  H       0.429193      3.291070      4.911379
  H       0.602339      3.553394      6.667223
  H       0.659725     -0.512262      3.968334
  H       0.275363      1.156744      3.489909
  H       0.478453      0.027583      6.330321
  H       1.477864      1.335799      5.648605
  H      -2.244760      0.470669      8.715568
  H      -1.365407     -0.487652      7.521060
  H      -1.326983      2.554106      7.920606
  H       0.033126      1.426357      8.109687
  C      -3.459951      3.790492      7.019889
  C      -4.161748      5.128028      6.776123
  O      -5.101225      5.040661      5.683160
  C      -4.700699      5.502657      4.475126
  O      -3.582532      5.920587      4.243898
  C      -5.843383      5.459316      3.471027
  N      -6.999150      4.957710      3.925841
  C      -8.058528      4.954073      3.073005
  N      -8.081183      5.413677      1.819618
  C      -6.901482      5.916455      1.322068
  C      -6.879759      6.395208     -0.027141
  C      -5.704806      6.884663     -0.576144
  C      -4.515647      6.920318      0.204284
  C      -4.503367      6.476040      1.523914
  C      -5.696888      5.959939      2.123545
  C      -1.801286     -1.268849      4.442855
  C      -2.651360     -1.760278      3.244863
  O      -3.242458     -0.712871      2.406415
  C      -3.870999      0.323807      2.903667
  O      -4.095302      0.464788      4.120686
  C      -4.406259      1.252816      1.858229
  N      -5.595955      1.746144      2.164530
  C      -6.197023      2.516603      1.224722
  N      -5.708962      2.865088      0.052397
  C      -4.465055      2.411617     -0.250742
  C      -3.884563      2.804574     -1.478690
  C      -2.626022      2.368716     -1.808254
  C      -1.901256      1.527462     -0.929402
  C      -2.438162      1.123870      0.268755
  C      -3.734674      1.550374      0.639160
  C      -4.080234     -0.277842      7.001300
  C      -4.957133      0.169775      8.172935
  O      -5.634791      1.412887      7.895815
  C      -6.796129      1.294658      7.212486
  O      -7.216522      0.231267      6.779281
  C      -7.519735      2.623922      7.099396
  N      -7.046642      3.633461      7.844542
  C      -7.738541      4.802099      7.841650
  N      -8.874913      5.043807      7.223322
  C      -9.370349      4.024008      6.441475
  C     -10.580503      4.237721      5.733363
  C     -11.076863      3.243832      4.869888
  C     -10.384181      2.008067      4.689735
  C      -9.218474      1.759620      5.389592
  C      -8.690485      2.754385      6.295311
  H      -2.911538      3.919181      7.976846
  H      -4.221983      3.014386      7.163983
  H      -3.446524      5.948079      6.587882
  H      -4.775659      5.353907      7.666400
  H      -8.996729      4.531990      3.477360
  H      -7.813044      6.347962     -0.599421
  H      -5.686880      7.248510     -1.616118
  H      -3.592493      7.310445     -0.246001
  H      -3.592014      6.525580      2.122765
  H      -2.400442     -1.374858      5.355969
  H      -0.948614     -1.963808      4.530520
  H      -3.468363     -2.411129      3.579321
  H      -2.036935     -2.301048      2.519325
  H      -7.192980      2.886381      1.476701
  H      -4.461867      3.457592     -2.133250
  H      -2.177779      2.672455     -2.750610
  H      -0.903647      1.198229     -1.206810
  H      -1.865839      0.484222      0.936619
  H      -4.714982     -0.378366      6.110188
  H      -3.709641     -1.292321      7.262610
  H      -5.696032     -0.610146      8.388327
  H      -4.369492      0.377730      9.079479
  H      -7.303511      5.624951      8.430197
  H     -11.076363      5.208704      5.872838
  H     -12.000675      3.411976      4.309004
  H     -10.779078      1.239108      3.983433
  H      -8.695902      0.803296      5.252169
  N      -1.972773      2.596647      3.462037
  N      -1.755558      3.213868      2.439844
  H      -0.779619      3.200155      2.080673
98
Coordinates from ORCA-job orca E -6706.356245835678
  N      -2.524908      3.412937      5.930671
  Mo     -2.488223      1.635321      5.023243
  N      -2.949124      0.628839      6.722017
  C      -1.860783      0.507695      7.684536
  C      -0.863967      1.641424      7.533381
  N      -0.527989      1.854164      6.093467
  C      -0.081890      3.252876      5.856616
  C      -1.298680      4.190295      5.809470
  C       0.479027      0.855045      5.624234
  C       0.054579      0.352917      4.238917
  N      -1.363881      0.090775      4.302242
  H      -1.292645      4.722276      4.867499
  H      -1.234334      4.938635      6.598297
  H       0.439573      3.266622      4.913247
  H       0.619826      3.546425      6.627267
  H       0.635550     -0.545072      3.967007
  H       0.267842      1.129091      3.479553
  H       0.473553      0.012776      6.330134
  H       1.483566      1.302792      5.631977
  H      -2.221101      0.503384      8.729230
  H      -1.353866     -0.470231      7.536343
  H      -1.291000      2.575443      7.912154
  H       0.056241      1.435148      8.102539
  C      -3.402944      3.809059      7.010312
  C      -4.100502      5.150037      6.766420
  O      -5.032957      5.071045      5.668524
  C      -4.649617      5.535349      4.468583
  O      -3.547047      5.965876      4.225127
  C      -5.799977      5.477525      3.488900
  N      -6.924813      4.963679      3.961456
  C      -8.003109      4.961371      3.151917
  N      -8.079288      5.440624      1.933794
  C      -6.930399      5.954265      1.419245
  C      -6.965399      6.454825      0.108687
  C      -5.818970      6.951243     -0.463729
  C      -4.601850      6.967192      0.253490
  C      -4.534915      6.503432      1.536801
  C      -5.701419      5.985759      2.162727
  C      -1.834769     -1.271102      4.463593
  C      -2.703937     -1.774494      3.273280
  O      -3.283596     -0.732316      2.419923
  C      -3.894097      0.328186      2.918871
  O      -4.112118      0.495277      4.156710
  C      -4.415964      1.261825      1.871367
  N      -5.601658      1.781870      2.188407
  C      -6.187993      2.563123      1.250874
  N      -5.690098      2.899352      0.073331
  C      -4.450152      2.420578     -0.239634
  C      -3.857730      2.801834     -1.471453
  C      -2.603859      2.334539     -1.813868
  C      -1.894545      1.477715     -0.941177
  C      -2.441298      1.090445      0.266355
  C      -3.735828      1.545088      0.646595
  C      -4.060121     -0.257693      7.032149
  C      -4.945749      0.193423      8.198498
  O      -5.655173      1.417829      7.898659
  C      -6.823241      1.270360      7.222170
  O      -7.236196      0.191605      6.828598
  C      -7.541880      2.586727      7.067004
  N      -7.058652      3.600234      7.771697
  C      -7.737665      4.771118      7.697930
  N      -8.870782      5.008241      7.034965
  C      -9.377308      3.982336      6.293884
  C     -10.584295      4.193180      5.540987
  C     -11.095276      3.197280      4.738047
  C     -10.419666      1.963201      4.650616
  C      -9.254504      1.717338      5.385779
  C      -8.713224      2.711927      6.238459
  H      -2.853900      3.927654      7.968931
  H      -4.168370      3.041167      7.149133
  H      -3.386713      5.970328      6.584777
  H      -4.721625      5.369571      7.655317
  H      -8.908410      4.521096      3.563827
  H      -7.916764      6.417703     -0.417511
  H      -5.844163      7.332081     -1.474559
  H      -3.699959      7.356818     -0.221104
  H      -3.600728      6.534000      2.086401
  H      -2.430487     -1.359022      5.386171
  H      -0.989088     -1.975313      4.551216
  H      -3.531073     -2.413491      3.626433
  H      -2.102575     -2.335390      2.545544
  H      -7.181904      2.948366      1.504913
  H      -4.421465      3.471000     -2.119802
  H      -2.147904      2.627036     -2.763135
  H      -0.899847      1.123765     -1.228819
  H      -1.880728      0.439483      0.930793
  H      -4.691470     -0.377553      6.143357
  H      -3.681599     -1.265228      7.307387
  H      -5.670756     -0.600525      8.431898
  H      -4.357880      0.427281      9.095992
  H      -7.296116      5.600854      8.256369
  H     -11.065677      5.164960      5.608214
  H     -12.017814      3.364427      4.147632
  H     -10.825316      1.193888      3.992884
  H      -8.748069      0.763086      5.318876
  N      -1.981011      2.596990      3.467582
  N      -1.758737      3.208742      2.444348
  H      -0.776612      3.189494      2.095061
98
Coordinates from ORCA-job orca E -6706.358043030372
  N      -2.546603      3.418520      5.937553
  Mo     -2.472617      1.639377      5.022391
  N      -2.943230      0.626139      6.714882
  C      -1.856668      0.515998      7.684372
  C      -0.865755      1.659527      7.532053
  N      -0.526653      1.879587      6.087816
  C      -0.088569      3.285971      5.853546
  C      -1.334692      4.226306      5.821546
  C       0.495345      0.892740      5.620842
  C       0.082048      0.391540      4.235688
  N      -1.329729      0.108489      4.297039
  H      -1.342940      4.798502      4.864807
  H      -1.290660      4.972798      6.640972
  H       0.439909      3.312139      4.889811
  H       0.631762      3.571395      6.643404
  H       0.674082     -0.495886      3.961468
  H       0.285176      1.172130      3.481652
  H       0.497498      0.049267      6.324296
  H       1.493693      1.355261      5.634303
  H      -2.219585      0.508807      8.727924
  H      -1.341253     -0.458003      7.538334
  H      -1.304628      2.588849      7.909505
  H       0.057300      1.464610      8.101508
  C      -3.429674      3.784180      7.036308
  C      -4.144960      5.119619      6.792898
  O      -5.088938      5.018844      5.714298
  C      -4.690014      5.500088      4.515096
  O      -3.576472      5.967246      4.287366
  C      -5.822793      5.447421      3.514568
  N      -6.959969      4.936885      3.959608
  C      -8.013081      4.931504      3.112270
  N      -8.045849      5.393609      1.875115
  C      -6.880363      5.897515      1.384944
  C      -6.858250      6.365355      0.041916
  C      -5.692265      6.851835     -0.504021
  C      -4.513546      6.895977      0.274896
  C      -4.502973      6.463985      1.590553
  C      -5.684949      5.947139      2.182388
  C      -1.780058     -1.257967      4.451616
  C      -2.637906     -1.763599      3.259430
  O      -3.238837     -0.730613      2.412277
  C      -3.864530      0.310452      2.917060
  O      -4.078006      0.478743      4.157846
  C      -4.412925      1.232530      1.878102
  N      -5.602118      1.726860      2.209785
  C      -6.215069      2.498804      1.282126
  N      -5.738868      2.851386      0.099834
  C      -4.494572      2.397588     -0.227529
  C      -3.924665      2.793374     -1.466760
  C      -2.668486      2.345910     -1.824932
  C      -1.934327      1.494886     -0.961188
  C      -2.459614      1.094153      0.252732
  C      -3.755805      1.529485      0.647501
  C      -4.055544     -0.266879      7.001021
  C      -4.974843      0.175277      8.134971
  O      -5.689823      1.397180      7.829801
  C      -6.842140      1.265181      7.130835
  O      -7.241537      0.207731      6.709226
  C      -7.558943      2.585078      6.997714
  N      -7.072230      3.568354      7.731713
  C      -7.742303      4.740776      7.722697
  N      -8.871115      5.008474      7.107171
  C      -9.382913      4.017388      6.338302
  C     -10.589442      4.268813      5.663732
  C     -11.116616      3.313214      4.855278
  C     -10.454519      2.078680      4.677153
  C      -9.287223      1.793201      5.328927
  C      -8.729851      2.746599      6.199819
  H      -2.869777      3.904847      7.989346
  H      -4.185092      3.002543      7.189666
  H      -3.443842      5.938364      6.593152
  H      -4.745861      5.348730      7.677003
  H      -8.933856      4.499594      3.507937
  H      -7.782614      6.310093     -0.531093
  H      -5.671694      7.205069     -1.542149
  H      -3.597533      7.282159     -0.174545
  H      -3.597437      6.515632      2.187808
  H      -2.372150     -1.361392      5.372012
  H      -0.923658     -1.950060      4.534195
  H      -3.451754     -2.415508      3.608012
  H      -2.027049     -2.309734      2.530697
  H      -7.214190      2.852068      1.544090
  H      -4.508805      3.455744     -2.107259
  H      -2.229194      2.648381     -2.780739
  H      -0.937740      1.155585     -1.261311
  H      -1.880555      0.446988      0.909707
  H      -4.663158     -0.388367      6.100755
  H      -3.679141     -1.271532      7.280783
  H      -5.697326     -0.626772      8.340086
  H      -4.417797      0.407810      9.045707
  H      -7.308027      5.543473      8.325981
  H     -11.060668      5.239247      5.805523
  H     -12.041915      3.509265      4.337335
  H     -10.875692      1.340269      4.019544
  H      -8.796228      0.838357      5.197848
  N      -1.975269      2.608866      3.465275
  N      -1.766838      3.222605      2.442704
  H      -0.793420      3.204502      2.078796
98
Coordinates from ORCA-job orca E -6706.359012208544
  N      -2.553330      3.410746      5.950326
  Mo     -2.485222      1.631160      5.029360
  N      -2.949009      0.617680      6.723548
  C      -1.858937      0.501874      7.688328
  C      -0.862860      1.639936      7.534551
  N      -0.534506      1.857826      6.088190
  C      -0.090357      3.262254      5.847586
  C      -1.333802      4.207443      5.838554
  C       0.481300      0.866975      5.613224
  C       0.059891      0.371125      4.229625
  N      -1.354598      0.094551      4.293484
  H      -1.345892      4.783982      4.891894
  H      -1.276512      4.944409      6.660820
  H       0.417923      3.281041      4.861219
  H       0.657426      3.546954      6.623995
  H       0.646382     -0.517754      3.951134
  H       0.265408      1.151650      3.477218
  H       0.481356      0.023114      6.314321
  H       1.482611      1.325279      5.623545
  H      -2.219127      0.497246      8.732855
  H      -1.349775     -0.474791      7.540317
  H      -1.294435      2.570833      7.916009
  H       0.064393      1.439839      8.096013
  C      -3.436897      3.806177      7.022865
  C      -4.128625      5.127131      6.749129
  O      -5.072262      5.032549      5.667390
  C      -4.679528      5.491931      4.469259
  O      -3.565954      5.928020      4.237978
  C      -5.818641      5.444616      3.471059
  N      -6.965178      4.942171      3.920274
  C      -8.024648      4.945469      3.075207
  N      -8.055526      5.411762      1.836649
  C      -6.887349      5.917873      1.348761
  C      -6.878583      6.413152      0.021892
  C      -5.717075      6.911903     -0.514464
  C      -4.526605      6.935660      0.254224
  C      -4.501338      6.473058      1.551681
  C      -5.682511      5.951608      2.139779
  C      -1.808395     -1.268009      4.449418
  C      -2.674512     -1.760425      3.264324
  O      -3.270714     -0.717007      2.428532
  C      -3.888109      0.324125      2.929966
  O      -4.104005      0.478474      4.153610
  C      -4.430458      1.249486      1.887152
  N      -5.620812      1.737712      2.200050
  C      -6.228594      2.505966      1.263490
  N      -5.745710      2.860511      0.090537
  C      -4.501094      2.411611     -0.219002
  C      -3.924458      2.811277     -1.446584
  C      -2.666987      2.373293     -1.785717
  C      -1.939054      1.524875     -0.915653
  C      -2.471359      1.118185      0.285261
  C      -3.766552      1.547224      0.663884
  C      -4.060435     -0.270994      7.023926
  C      -4.945949      0.184449      8.182811
  O      -5.646147      1.412625      7.881884
  C      -6.822057      1.268065      7.212989
  O      -7.259638      0.190416      6.828548
  C      -7.542115      2.592609      7.068530
  N      -7.069811      3.598798      7.794496
  C      -7.752676      4.767967      7.762726
  N      -8.878974      5.013276      7.132949
  C      -9.371162      3.999695      6.364649
  C     -10.565722      4.224439      5.638058
  C     -11.056689      3.243427      4.784813
  C     -10.374150      2.009439      4.633723
  C      -9.225100      1.748726      5.352516
  C      -8.701430      2.729900      6.249807
  H      -2.882768      3.947743      7.971762
  H      -4.200767      3.039550      7.179354
  H      -3.418694      5.917139      6.548995
  H      -4.723563      5.373415      7.614449
  H      -8.951993      4.517327      3.471241
  H      -7.812595      6.373997     -0.542153
  H      -5.710292      7.292677     -1.534532
  H      -3.614636      7.333400     -0.185884
  H      -3.589681      6.515226      2.142240
  H      -2.394173     -1.373517      5.370777
  H      -0.954020     -1.963864      4.523153
  H      -3.490266     -2.403666      3.611792
  H      -2.070972     -2.308434      2.534354
  H      -7.227541      2.861727      1.515104
  H      -4.504762      3.470106     -2.093049
  H      -2.221564      2.680641     -2.729396
  H      -0.942342      1.193631     -1.200876
  H      -1.896390      0.474193      0.947864
  H      -4.690186     -0.386932      6.133141
  H      -3.683299     -1.278179      7.298046
  H      -5.675392     -0.604971      8.411158
  H      -4.361494      0.417460      9.085092
  H      -7.320773      5.588778      8.340821
  H     -11.052170      5.195218      5.753532
  H     -11.966901      3.420684      4.206940
  H     -10.763837      1.251685      3.932807
  H      -8.711941      0.793909      5.236018
  N      -1.978710      2.606822      3.475600
  N      -1.766407      3.225549      2.453843
  H      -0.790579      3.215254      2.095352
98
Coordinates from ORCA-job orca E -6706.358124351268
  N      -2.538463      3.410796      5.943095
  Mo     -2.505371      1.634662      5.023162
  N      -2.934360      0.627145      6.730259
  C      -1.837235      0.513457      7.683498
  C      -0.844201      1.648652      7.515946
  N      -0.529565      1.858578      6.070963
  C      -0.093075      3.258631      5.823024
  C      -1.314020      4.199155      5.830297
  C       0.472642      0.862558      5.585580
  C       0.029606      0.365514      4.205104
  N      -1.386020      0.095933      4.287478
  H      -1.320535      4.772665      4.905152
  H      -1.242899      4.920161      6.650681
  H       0.393213      3.275171      4.852836
  H       0.643218      3.549425      6.570378
  H       0.610156     -0.526871      3.918848
  H       0.226960      1.145899      3.448534
  H       0.477539      0.018494      6.287491
  H       1.477670      1.312458      5.581362
  H      -2.187761      0.515624      8.731174
  H      -1.330213     -0.464947      7.537421
  H      -1.269735      2.582349      7.895772
  H       0.084450      1.447413      8.073693
  C      -3.431358      3.789896      7.035464
  C      -4.152187      5.139459      6.820159
  O      -5.072367      5.057020      5.705848
  C      -4.669064      5.570635      4.509165
  O      -3.559908      6.035532      4.295863
  C      -5.798065      5.513771      3.494738
  N      -6.948656      5.018398      3.942702
  C      -8.005616      5.020340      3.093284
  N      -8.030277      5.478002      1.849867
  C      -6.856132      5.972024      1.359369
  C      -6.837404      6.448502      0.021213
  C      -5.665097      6.925428     -0.524771
  C      -4.474632      6.946880      0.246145
  C      -4.459908      6.504679      1.555746
  C      -5.652338      6.005944      2.154174
  C      -1.842238     -1.266017      4.455099
  C      -2.728752     -1.764953      3.284082
  O      -3.322646     -0.721357      2.444237
  C      -3.927980      0.329604      2.945641
  O      -4.130292      0.487737      4.169885
  C      -4.465568      1.259924      1.903909
  N      -5.648846      1.768638      2.224408
  C      -6.247801      2.547097      1.290756
  N      -5.763152      2.889948      0.113457
  C      -4.526234      2.420819     -0.203238
  C      -3.949827      2.805452     -1.437553
  C      -2.701229      2.346465     -1.785957
  C      -1.981321      1.493464     -0.917222
  C      -2.512490      1.102172      0.291176
  C      -3.799873      1.549452      0.678062
  C      -4.039663     -0.262131      7.046555
  C      -4.919262      0.205270      8.207862
  O      -5.625274      1.424622      7.895619
  C      -6.797010      1.266743      7.229108
  O      -7.219279      0.183990      6.844921
  C      -7.526946      2.584546      7.066776
  N      -7.080574      3.611208      7.788215
  C      -7.783208      4.772184      7.721850
  N      -8.902983      4.989791      7.052071
  C      -9.366498      3.953401      6.289070
  C     -10.556501      4.142431      5.527967
  C     -11.024531      3.131040      4.707478
  C     -10.320502      1.903843      4.616936
  C      -9.172012      1.679971      5.359718
  C      -8.675952      2.690614      6.226902
  H      -2.886212      3.899141      7.999483
  H      -4.189590      3.003803      7.169215
  H      -3.439408      5.998377      6.661704
  H      -4.799203      5.329960      7.726113
  H      -8.937913      4.602768      3.491036
  H      -7.770014      6.408839     -0.545532
  H      -5.649345      7.288469     -1.555771
  H      -3.552390      7.324085     -0.204352
  H      -3.546166      6.540890      2.144305
  H      -2.417968     -1.363806      5.384475
  H      -0.989714     -1.963314      4.523998
  H      -3.547962     -2.398203      3.649305
  H      -2.140030     -2.326125      2.551471
  H      -7.240525      2.924593      1.549549
  H      -4.523152      3.468312     -2.083963
  H      -2.257498      2.640611     -2.736249
  H      -0.991941      1.145003     -1.210359
  H      -1.944247      0.452626      0.950954
  H      -4.672133     -0.390359      6.158115
  H      -3.659780     -1.264971      7.332327
  H      -5.642291     -0.584140      8.453654
  H      -4.327395      0.454855      9.102249
  H      -7.376024      5.610048      8.302178
  H     -11.061993      5.108212      5.601678
  H     -11.934955      3.279338      4.113180
  H     -10.694798      1.122446      3.950834
  H      -8.642004      0.729536      5.293340
  N      -2.018148      2.604895      3.460567
  N      -1.806552      3.220497      2.435957
  H      -0.825169      3.221365      2.089069
98
Coordinates from ORCA-job orca E -6706.360110234957
  N      -2.533203      3.431025      5.955268
  Mo     -2.494172      1.655823      5.037194
  N      -2.923354      0.645251      6.744392
  C      -1.822986      0.543898      7.697253
  C      -0.831163      1.680916      7.514683
  N      -0.524067      1.882370      6.063302
  C      -0.085548      3.280674      5.801327
  C      -1.314873      4.224645      5.837660
  C       0.477512      0.883134      5.581233
  C       0.032740      0.377541      4.204213
  N      -1.382256      0.109500      4.291765
  H      -1.339099      4.821722      4.915562
  H      -1.239308      4.932808      6.675135
  H       0.381280      3.292680      4.814348
  H       0.676787      3.568498      6.537532
  H       0.612236     -0.518669      3.924684
  H       0.231525      1.152164      3.439907
  H       0.483044      0.043440      6.290386
  H       1.480932      1.334222      5.572704
  H      -2.169953      0.551854      8.746874
  H      -1.313337     -0.434120      7.556468
  H      -1.254882      2.616945      7.892771
  H       0.102506      1.484822      8.066129
  C      -3.412772      3.806097      7.046285
  C      -4.118394      5.143382      6.810607
  O      -5.046078      5.064011      5.712426
  C      -4.654685      5.560923      4.524836
  O      -3.549936      6.014334      4.303525
  C      -5.788548      5.518089      3.527259
  N      -6.934943      5.037143      3.983950
  C      -7.993168      5.045550      3.146925
  N      -8.025159      5.499072      1.911365
  C      -6.850891      5.973932      1.409666
  C      -6.829625      6.434181      0.070236
  C      -5.653655      6.889869     -0.488803
  C      -4.463591      6.907679      0.272410
  C      -4.451049      6.480186      1.582860
  C      -5.645339      5.999613      2.190774
  C      -1.842310     -1.254055      4.473350
  C      -2.747697     -1.769233      3.311924
  O      -3.346314     -0.736971      2.460484
  C      -3.939522      0.330294      2.965799
  O      -4.131752      0.515268      4.210838
  C      -4.481449      1.256714      1.924950
  N      -5.663591      1.773834      2.261618
  C      -6.268310      2.548974      1.330589
  N      -5.791267      2.882370      0.141452
  C      -4.554679      2.406526     -0.190729
  C      -3.984559      2.780456     -1.437778
  C      -2.735459      2.312743     -1.798931
  C      -2.008351      1.462585     -0.930887
  C      -2.533961      1.081387      0.289857
  C      -3.823476      1.537079      0.688321
  C      -4.018797     -0.261690      7.048486
  C      -4.937180      0.185317      8.182911
  O      -5.661282      1.393600      7.855851
  C      -6.801427      1.237110      7.153546
  O      -7.185829      0.164296      6.746945
  C      -7.532005      2.547064      6.995402
  N      -7.093606      3.546490      7.752988
  C      -7.794312      4.705072      7.715638
  N      -8.913084      4.940900      7.050777
  C      -9.371875      3.932511      6.254076
  C     -10.566202      4.144795      5.521706
  C     -11.032767      3.168400      4.678348
  C     -10.319221      1.953688      4.521163
  C      -9.166036      1.705513      5.233833
  C      -8.675149      2.678442      6.141427
  H      -2.858604      3.920468      8.003060
  H      -4.171949      3.031128      7.186448
  H      -3.413521      5.964102      6.634949
  H      -4.735652      5.355127      7.695172
  H      -8.919550      4.634969      3.549965
  H      -7.761638      6.397594     -0.489204
  H      -5.634395      7.238442     -1.523545
  H      -3.539348      7.270686     -0.186806
  H      -3.536414      6.510779      2.165076
  H      -2.408066     -1.341966      5.416793
  H      -0.989749     -1.953008      4.536433
  H      -3.569260     -2.398526      3.698000
  H      -2.169417     -2.343645      2.573090
  H      -7.261158      2.926414      1.598200
  H      -4.562861      3.441452     -2.083692
  H      -2.296610      2.598690     -2.760272
  H      -1.017605      1.107587     -1.234322
  H      -1.960996      0.433801      0.949742
  H      -4.629092     -0.403026      6.150983
  H      -3.628226     -1.258548      7.340692
  H      -5.649131     -0.621333      8.406143
  H      -4.377645      0.442454      9.087367
  H      -7.394321      5.522184      8.329542
  H     -11.077257      5.101762      5.645566
  H     -11.947882      3.334908      4.114309
  H     -10.690317      1.200350      3.833201
  H      -8.635145      0.764273      5.122322
  N      -2.015398      2.620556      3.477023
  N      -1.806414      3.234752      2.452919
  H      -0.827409      3.226040      2.098825
98
Coordinates from ORCA-job orca E -6706.359641837201
  N      -2.575414      3.412817      5.961264
  Mo     -2.503481      1.637286      5.028544
  N      -2.933164      0.616721      6.729438
  C      -1.832986      0.515248      7.683405
  C      -0.848990      1.660041      7.512004
  N      -0.544925      1.878220      6.062631
  C      -0.121022      3.284965      5.810456
  C      -1.362550      4.225022      5.861677
  C       0.473587      0.896199      5.575959
  C       0.039177      0.401749      4.197139
  N      -1.371274      0.110738      4.276316
  H      -1.389228      4.852578      4.943465
  H      -1.299034      4.923191      6.722204
  H       0.341889      3.310311      4.813867
  H       0.648406      3.567343      6.550296
  H       0.631362     -0.478764      3.908209
  H       0.226165      1.186021      3.446423
  H       0.488073      0.050910      6.274442
  H       1.471379      1.362020      5.576082
  H      -2.182829      0.514528      8.730433
  H      -1.317430     -0.457925      7.537939
  H      -1.282274      2.587628      7.897194
  H       0.087636      1.467269      8.059631
  C      -3.465151      3.786019      7.041824
  C      -4.168259      5.109447      6.782330
  O      -5.091433      5.014080      5.684172
  C      -4.677781      5.515893      4.503596
  O      -3.567635      6.004980      4.307294
  C      -5.792555      5.464633      3.477528
  N      -6.950819      4.979120      3.907442
  C      -7.989031      4.980913      3.037193
  N      -7.989083      5.428664      1.790986
  C      -6.806262      5.914044      1.320530
  C      -6.760853      6.384494     -0.017512
  C      -5.583652      6.864450     -0.536092
  C      -4.413399      6.892451      0.262559
  C      -4.423442      6.452148      1.571086
  C      -5.621784      5.951032      2.140921
  C      -1.805403     -1.254724      4.437515
  C      -2.687898     -1.750469      3.268585
  O      -3.303355     -0.712020      2.437817
  C      -3.917543      0.320961      2.944817
  O      -4.113821      0.475264      4.174297
  C      -4.475183      1.243395      1.908202
  N      -5.669773      1.715150      2.228030
  C      -6.290647      2.479573      1.295668
  N      -5.817202      2.844165      0.122123
  C      -4.568324      2.410995     -0.194041
  C      -4.002885      2.816038     -1.426533
  C      -2.742848      2.388109     -1.775143
  C      -2.001088      1.545207     -0.910038
  C      -2.522622      1.133053      0.295656
  C      -3.820683      1.551305      0.683348
  C      -4.034243     -0.279900      7.047322
  C      -4.921061      0.180309      8.206488
  O      -5.643029      1.397048      7.896605
  C      -6.831895      1.240522      7.248000
  O      -7.266630      0.160350      6.886630
  C      -7.545716      2.558870      7.084307
  N      -7.077420      3.554129      7.808489
  C      -7.753882      4.721065      7.758263
  N      -8.869789      4.971475      7.106900
  C      -9.355363      3.969900      6.337344
  C     -10.537594      4.204062      5.590247
  C     -11.023551      3.239117      4.744410
  C     -10.346608      2.012635      4.613221
  C      -9.208520      1.741883      5.347852
  C      -8.691804      2.705317      6.244529
  H      -2.913217      3.916849      7.994561
  H      -4.222496      3.008348      7.189466
  H      -3.463380      5.912706      6.601290
  H      -4.779059      5.338193      7.644365
  H      -8.924877      4.566508      3.418154
  H      -7.680025      6.341865     -0.605168
  H      -5.548387      7.226329     -1.565618
  H      -3.489110      7.276428     -0.163688
  H      -3.526012      6.496387      2.184863
  H      -2.371754     -1.370654      5.365854
  H      -0.942706     -1.941223      4.495424
  H      -3.494168     -2.394294      3.630863
  H      -2.094551     -2.297208      2.534669
  H      -7.293007      2.818421      1.548872
  H      -4.594118      3.468576     -2.070585
  H      -2.306421      2.698525     -2.724106
  H      -1.002340      1.221435     -1.203410
  H      -1.937842      0.492334      0.954158
  H      -4.666743     -0.414044      6.162518
  H      -3.644426     -1.279440      7.332098
  H      -5.640039     -0.614773      8.451378
  H      -4.332807      0.429854      9.098760
  H      -7.331427      5.534163      8.345605
  H     -11.017887      5.170208      5.688960
  H     -11.924704      3.424677      4.152522
  H     -10.730915      1.268211      3.916093
  H      -8.703073      0.792755      5.248013
  N      -2.026195      2.620188      3.475834
  N      -1.823838      3.244237      2.455641
  H      -0.844007      3.258325      2.105869
98
Coordinates from ORCA-job orca E -6706.361137807738
  N      -2.542828      3.425197      5.959917
  Mo     -2.506103      1.652108      5.032810
  N      -2.920123      0.641352      6.745214
  C      -1.814291      0.542663      7.692569
  C      -0.820129      1.677254      7.501399
  N      -0.527246      1.876302      6.046324
  C      -0.093046      3.274967      5.772163
  C      -1.323368      4.221369      5.852304
  C       0.469772      0.877324      5.552780
  C       0.013486      0.376614      4.179337
  N      -1.400805      0.106188      4.276520
  H      -1.357539      4.850652      4.946794
  H      -1.237688      4.905549      6.712837
  H       0.340129      3.285292      4.757704
  H       0.705576      3.562935      6.485007
  H       0.590842     -0.516614      3.891163
  H       0.205360      1.153186      3.417438
  H       0.479971      0.036573      6.258636
  H       1.474196      1.328041      5.537028
  H      -2.156972      0.557314      8.743738
  H      -1.308030     -0.437652      7.554481
  H      -1.239234      2.614479      7.882533
  H       0.118440      1.480355      8.043587
  C      -3.426856      3.799069      7.048973
  C      -4.146157      5.128472      6.810136
  O      -5.060565      5.031128      5.699635
  C      -4.653077      5.541551      4.519247
  O      -3.545335      6.014204      4.320170
  C      -5.771746      5.496937      3.498436
  N      -6.937685      5.031858      3.938971
  C      -7.986665      5.054989      3.082004
  N      -7.990914      5.509969      1.841170
  C      -6.801627      5.974848      1.360945
  C      -6.764238      6.456537      0.032235
  C      -5.581125      6.915191     -0.497071
  C      -4.395802      6.907937      0.280129
  C      -4.397899      6.456558      1.579761
  C      -5.603767      5.980993      2.162691
  C      -1.852131     -1.256631      4.461776
  C      -2.767094     -1.764489      3.314113
  O      -3.368570     -0.728468      2.473268
  C      -3.959553      0.332648      2.976343
  O      -4.148800      0.507562      4.206549
  C      -4.507480      1.257139      1.936549
  N      -5.692280      1.756917      2.263814
  C      -6.303621      2.527059      1.332328
  N      -5.829595      2.871447      0.151044
  C      -4.590623      2.411058     -0.173108
  C      -4.023458      2.799274     -1.409648
  C      -2.772385      2.348568     -1.762466
  C      -2.040798      1.500366     -0.896610
  C      -2.563233      1.106171      0.314022
  C      -3.852402      1.546764      0.705260
  C      -4.016467     -0.257875      7.067092
  C      -4.909051      0.214202      8.212914
  O      -5.625165      1.422902      7.875363
  C      -6.796139      1.247579      7.206676
  O      -7.214545      0.157558      6.842596
  C      -7.535079      2.558896      7.030424
  N      -7.117581      3.576313      7.776002
  C      -7.835026      4.726860      7.726401
  N      -8.947996      4.940887      7.060642
  C      -9.380650      3.916673      6.270966
  C     -10.559694      4.106392      5.513788
  C     -10.990579      3.113773      4.654044
  C     -10.259579      1.903701      4.520857
  C      -9.124492      1.676281      5.265554
  C      -8.666218      2.668061      6.174565
  H      -2.870730      3.922187      8.002549
  H      -4.181912      3.016422      7.197269
  H      -3.442379      5.964868      6.649682
  H      -4.783813      5.331219      7.687046
  H      -8.932218      4.659995      3.473650
  H      -7.693945      6.439213     -0.539494
  H      -5.552529      7.286499     -1.518476
  H      -3.465545      7.273478     -0.155618
  H      -3.489036      6.473926      2.176315
  H      -2.403871     -1.351780      5.407530
  H      -0.996418     -1.952578      4.510735
  H      -3.584837     -2.384875      3.704413
  H      -2.198432     -2.341867      2.574944
  H      -7.297749      2.894365      1.596362
  H      -4.605614      3.458514     -2.052818
  H      -2.334910      2.646120     -2.713967
  H      -1.049267      1.159469     -1.193037
  H      -1.986043      0.462552      0.974047
  H      -4.643615     -0.404309      6.178813
  H      -3.626000     -1.252216      7.365877
  H      -5.626397     -0.579863      8.463161
  H      -4.327888      0.482496      9.107356
  H      -7.450143      5.557720      8.325685
  H     -11.084694      5.060006      5.619058
  H     -11.890759      3.263513      4.059491
  H     -10.602460      1.137748      3.818701
  H      -8.575440      0.738265      5.166385
  N      -2.032228      2.626157      3.470027
  N      -1.829964      3.244380      2.446138
  H      -0.851768      3.252250      2.094379
98
Coordinates from ORCA-job orca E -6706.360952505142
  N      -2.553289      3.434117      5.980314
  Mo     -2.532506      1.666167      5.044714
  N      -2.910228      0.644252      6.759778
  C      -1.794116      0.552141      7.693436
  C      -0.808199      1.688821      7.489256
  N      -0.538877      1.888217      6.032977
  C      -0.116547      3.284314      5.751494
  C      -1.332174      4.227456      5.874866
  C       0.451295      0.891750      5.525084
  C      -0.023225      0.393063      4.156104
  N      -1.437094      0.123197      4.268319
  H      -1.372426      4.878242      4.995799
  H      -1.230100      4.882430      6.750752
  H       0.277684      3.295472      4.738472
  H       0.691085      3.571329      6.428319
  H       0.551430     -0.500097      3.861061
  H       0.159978      1.169524      3.392173
  H       0.471673      0.049556      6.228733
  H       1.455383      1.342149      5.496423
  H      -2.124877      0.566764      8.747348
  H      -1.284290     -0.425025      7.552315
  H      -1.221697      2.624324      7.878126
  H       0.138371      1.490153      8.017353
  C      -3.434734      3.805843      7.072429
  C      -4.138320      5.147688      6.851595
  O      -5.048284      5.088115      5.735388
  C      -4.651515      5.633332      4.562342
  O      -3.554391      6.119376      4.369268
  C      -5.766252      5.583488      3.543277
  N      -6.927488      5.129844      3.988420
  C      -7.965060      5.128360      3.123853
  N      -7.960478      5.543221      1.868482
  C      -6.771076      5.987752      1.378020
  C      -6.709080      6.399285      0.014424
  C      -5.515623      6.819919     -0.535491
  C      -4.346332      6.846691      0.257433
  C      -4.372463      6.462479      1.590364
  C      -5.586380      6.022073      2.190635
  C      -1.883766     -1.239725      4.463076
  C      -2.824214     -1.750183      3.333375
  O      -3.434923     -0.715366      2.495458
  C      -4.011793      0.350713      3.005681
  O      -4.182578      0.529266      4.240932
  C      -4.562191      1.278935      1.970853
  N      -5.747297      1.780714      2.302830
  C      -6.360868      2.548708      1.369711
  N      -5.890664      2.885224      0.182510
  C      -4.650850      2.425003     -0.144353
  C      -4.089681      2.797762     -1.392825
  C      -2.839068      2.342848     -1.750427
  C      -2.101164      1.507046     -0.877467
  C      -2.618312      1.126141      0.343744
  C      -3.908965      1.567556      0.737805
  C      -3.988511     -0.275245      7.083915
  C      -4.895004      0.176685      8.229153
  O      -5.623458      1.379606      7.897146
  C      -6.768415      1.210900      7.208261
  O      -7.162164      0.129585      6.822857
  C      -7.502306      2.518274      7.031117
  N      -7.107434      3.526136      7.807884
  C      -7.823212      4.675320      7.738915
  N      -8.916637      4.892369      7.023012
  C      -9.324982      3.876608      6.202643
  C     -10.487163      4.067158      5.404793
  C     -10.898303      3.080768      4.535469
  C     -10.159520      1.878502      4.419748
  C      -9.038514      1.650731      5.196557
  C      -8.606779      2.633357      6.126901
  H      -2.881912      3.912143      8.032132
  H      -4.194070      3.030060      7.203883
  H      -3.434366      5.973306      6.699590
  H      -4.766060      5.339886      7.733876
  H      -8.903563      4.739258      3.516869
  H      -7.624829      6.352702     -0.570202
  H      -5.464481      7.130464     -1.589560
  H      -3.407221      7.180878     -0.194878
  H      -3.471943      6.496371      2.193826
  H      -2.417916     -1.333219      5.420498
  H      -1.026541     -1.934984      4.497814
  H      -3.639671     -2.365039      3.743413
  H      -2.271948     -2.334151      2.586661
  H      -7.355226      2.916989      1.634120
  H      -4.676512      3.445338     -2.044396
  H      -2.407607      2.626503     -2.713438
  H      -1.109843      1.162205     -1.178866
  H      -2.038144      0.488685      1.007163
  H      -4.609754     -0.430633      6.194353
  H      -3.581765     -1.264949      7.381221
  H      -5.601201     -0.627762      8.470227
  H      -4.323851      0.445877      9.125234
  H      -7.457917      5.500178      8.366651
  H     -11.018687      5.015415      5.497903
  H     -11.788476      3.230726      3.919458
  H     -10.486833      1.118881      3.712962
  H      -8.487090      0.717580      5.117176
  N      -2.085740      2.647211      3.483840
  N      -1.891581      3.271924      2.461107
  H      -0.910264      3.300135      2.115474
98
Coordinates from ORCA-job orca E -6706.362110741859
  N      -2.553586      3.434890      5.981078
  Mo     -2.524142      1.666848      5.044604
  N      -2.898864      0.649168      6.764103
  C      -1.780101      0.565057      7.696667
  C      -0.794451      1.702424      7.480530
  N      -0.533230      1.897532      6.020367
  C      -0.116771      3.295191      5.728662
  C      -1.336713      4.237311      5.880059
  C       0.459275      0.902273      5.512423
  C      -0.017203      0.399722      4.146362
  N      -1.429171      0.124322      4.263319
  H      -1.386750      4.913690      5.010984
  H      -1.232004      4.875771      6.773742
  H       0.257273      3.307212      4.702383
  H       0.710269      3.582269      6.391262
  H       0.559622     -0.491696      3.851321
  H       0.160743      1.175263      3.380565
  H       0.483817      0.061714      6.218440
  H       1.461608      1.356382      5.480431
  H      -2.108491      0.588035      8.751972
  H      -1.270680     -0.413844      7.562143
  H      -1.206721      2.639072      7.868435
  H       0.155850      1.508033      8.003328
  C      -3.434980      3.795535      7.074242
  C      -4.149142      5.125807      6.844883
  O      -5.044752      5.041167      5.718961
  C      -4.630861      5.586505      4.555368
  O      -3.532773      6.097509      4.381381
  C      -5.734229      5.538602      3.520401
  N      -6.911332      5.104331      3.957555
  C      -7.950419      5.134393      3.092566
  N      -7.936447      5.569841      1.847500
  C      -6.731948      5.996857      1.367299
  C      -6.667826      6.446618      0.026879
  C      -5.465598      6.863128     -0.505399
  C      -4.287730      6.843076      0.280987
  C      -4.315624      6.421255      1.591858
  C      -5.541514      5.990636      2.177257
  C      -1.868822     -1.239804      4.460978
  C      -2.813927     -1.752104      3.337942
  O      -3.434307     -0.720866      2.501826
  C      -4.011439      0.340479      3.014138
  O      -4.172552      0.521947      4.253568
  C      -4.574625      1.263386      1.981819
  N      -5.761432      1.755359      2.322231
  C      -6.386421      2.519590      1.393621
  N      -5.925352      2.863019      0.204884
  C      -4.683984      2.412201     -0.130708
  C      -4.131006      2.795055     -1.378884
  C      -2.879636      2.347241     -1.745498
  C      -2.132789      1.509107     -0.882165
  C      -2.641175      1.120592      0.340118
  C      -3.931808      1.555969      0.743798
  C      -3.980438     -0.262850      7.100094
  C      -4.885006      0.207184      8.238877
  O      -5.622301      1.401697      7.887608
  C      -6.785032      1.214387      7.214992
  O      -7.183027      0.123346      6.854812
  C      -7.526928      2.515885      7.023980
  N      -7.138344      3.523728      7.791274
  C      -7.864098      4.666143      7.724793
  N      -8.961102      4.876680      7.020116
  C      -9.361303      3.862630      6.205624
  C     -10.522903      4.050079      5.412709
  C     -10.918976      3.071125      4.532337
  C     -10.167413      1.878393      4.404553
  C      -9.049200      1.651830      5.182501
  C      -8.630924      2.627425      6.122385
  H      -2.880128      3.908572      8.030008
  H      -4.189049      3.012616      7.210173
  H      -3.449359      5.958352      6.702727
  H      -4.790859      5.315344      7.714246
  H      -8.903047      4.761506      3.480332
  H      -7.591592      6.437242     -0.552582
  H      -5.415322      7.208754     -1.537529
  H      -3.342464      7.174761     -0.157668
  H      -3.410312      6.424132      2.194118
  H      -2.394788     -1.337596      5.420680
  H      -1.008671     -1.931567      4.488425
  H      -3.624151     -2.367936      3.753273
  H      -2.264778     -2.335244      2.590544
  H      -7.382198      2.877634      1.663603
  H      -4.723870      3.446180     -2.021293
  H      -2.454027      2.639108     -2.707857
  H      -1.140781      1.170493     -1.190483
  H      -2.053560      0.484043      0.998506
  H      -4.603747     -0.429769      6.214340
  H      -3.575346     -1.247995      7.410189
  H      -5.589473     -0.596618      8.496849
  H      -4.310823      0.493477      9.128636
  H      -7.508496      5.490752      8.350944
  H     -11.062023      4.992137      5.511986
  H     -11.806071      3.220164      3.913298
  H     -10.480446      1.124827      3.682623
  H      -8.488286      0.726342      5.091168
  N      -2.086813      2.645771      3.482608
  N      -1.900486      3.269208      2.458931
  H      -0.921144      3.297705      2.107005
98
Coordinates from ORCA-job orca E -6706.362018263560
  N      -2.546747      3.444128      5.983386
  Mo     -2.535074      1.679515      5.042636
  N      -2.892785      0.661352      6.767917
  C      -1.766452      0.577052      7.691096
  C      -0.774699      1.707712      7.461787
  N      -0.529333      1.898464      5.996839
  C      -0.112611      3.294079      5.691315
  C      -1.326754      4.241056      5.886760
  C       0.450899      0.898756      5.474850
  C      -0.043587      0.402151      4.114153
  N      -1.454838      0.131167      4.247696
  H      -1.386810      4.945549      5.035785
  H      -1.204384      4.853191      6.798782
  H       0.224421      3.301997      4.641652
  H       0.750079      3.581106      6.326397
  H       0.525440     -0.490028      3.809573
  H       0.129086      1.178531      3.348593
  H       0.477655      0.057112      6.178454
  H       1.455499      1.346944      5.431523
  H      -2.086856      0.607515      8.749127
  H      -1.263766     -0.405360      7.557558
  H      -1.177196      2.647513      7.854288
  H       0.180389      1.508877      7.973190
  C      -3.421963      3.801445      7.085388
  C      -4.149777      5.130184      6.859840
  O      -5.047065      5.039447      5.739477
  C      -4.634937      5.582014      4.582201
  O      -3.535839      6.076267      4.414126
  C      -5.730032      5.541853      3.540482
  N      -6.914877      5.115605      3.960243
  C      -7.932816      5.132556      3.066463
  N      -7.887108      5.542350      1.806804
  C      -6.677922      5.964792      1.348024
  C      -6.586006      6.394687     -0.002389
  C      -5.384810      6.817558     -0.506606
  C      -4.232290      6.818418      0.316359
  C      -4.285375      6.410463      1.635413
  C      -5.512134      5.977022      2.193154
  C      -1.892884     -1.232687      4.457892
  C      -2.859592     -1.746765      3.354939
  O      -3.476308     -0.716331      2.520493
  C      -4.044036      0.352836      3.031477
  O      -4.200369      0.539675      4.264861
  C      -4.611715      1.274333      2.001187
  N      -5.798827      1.758284      2.340731
  C      -6.429856      2.519774      1.415124
  N      -5.972785      2.870252      0.230116
  C      -4.730994      2.426597     -0.106128
  C      -4.181135      2.820578     -1.347624
  C      -2.929077      2.382327     -1.712375
  C      -2.178912      1.541767     -0.854653
  C      -2.684004      1.143221      0.360975
  C      -3.973521      1.571511      0.764205
  C      -3.970965     -0.251165      7.114341
  C      -4.867999      0.228356      8.255376
  O      -5.608521      1.417913      7.894390
  C      -6.780294      1.215112      7.231663
  O      -7.187176      0.116040      6.892478
  C      -7.532947      2.512505      7.028264
  N      -7.175035      3.524567      7.805706
  C      -7.917200      4.656517      7.735222
  N      -9.000331      4.853898      7.016243
  C      -9.365874      3.837258      6.189034
  C     -10.505006      4.013179      5.368269
  C     -10.860863      3.032892      4.467104
  C     -10.094652      1.848328      4.356242
  C      -8.999428      1.631806      5.163376
  C      -8.618298      2.611249      6.113830
  H      -2.854913      3.915386      8.035184
  H      -4.172294      3.014858      7.235222
  H      -3.457249      5.971293      6.718185
  H      -4.792889      5.314150      7.728146
  H      -8.893447      4.766226      3.439639
  H      -7.491464      6.369284     -0.609693
  H      -5.314773      7.151967     -1.544575
  H      -3.288227      7.156503     -0.099078
  H      -3.400632      6.432804      2.266832
  H      -2.399981     -1.328315      5.428124
  H      -1.032518     -1.924680      4.468198
  H      -3.671394     -2.345946      3.787515
  H      -2.328922     -2.346616      2.605257
  H      -7.425297      2.874054      1.688641
  H      -4.776568      3.473700     -1.984960
  H      -2.504992      2.683904     -2.667969
  H      -1.186777      1.211498     -1.161047
  H      -2.092765      0.508116      1.017609
  H      -4.601114     -0.425409      6.233524
  H      -3.560928     -1.232399      7.429707
  H      -5.570887     -0.572511      8.526304
  H      -4.287280      0.525547      9.139967
  H      -7.586663      5.484597      8.366772
  H     -11.057263      4.948530      5.458244
  H     -11.729016      3.173505      3.822452
  H     -10.377251      1.093600      3.619912
  H      -8.424078      0.712837      5.079746
  N      -2.110370      2.665616      3.475592
  N      -1.934939      3.292166      2.451790
  H      -0.959103      3.332022      2.096707
98
Coordinates from ORCA-job orca E -6706.362904951120
  N      -2.553035      3.443339      5.995738
  Mo     -2.541611      1.674144      5.060085
  N      -2.881435      0.654797      6.788234
  C      -1.751374      0.571747      7.706586
  C      -0.764921      1.705052      7.473259
  N      -0.530020      1.901424      6.006848
  C      -0.120875      3.300603      5.704901
  C      -1.331888      4.239793      5.907686
  C       0.450952      0.906410      5.476678
  C      -0.048824      0.414048      4.116318
  N      -1.457975      0.134062      4.255355
  H      -1.389295      4.951203      5.068258
  H      -1.208117      4.840479      6.823419
  H       0.210603      3.314833      4.657050
  H       0.739058      3.587696      6.335771
  H       0.523180     -0.473432      3.803912
  H       0.114615      1.195141      3.353752
  H       0.481545      0.061243      6.175980
  H       1.454500      1.357572      5.432157
  H      -2.067675      0.600886      8.765475
  H      -1.247165     -0.409292      7.571121
  H      -1.169492      2.641122      7.870760
  H       0.195146      1.508791      7.977277
  C      -3.433375      3.803476      7.087281
  C      -4.141870      5.135802      6.858568
  O      -5.031976      5.057301      5.728500
  C      -4.616135      5.627331      4.572326
  O      -3.521375      6.146125      4.411093
  C      -5.704608      5.580821      3.524734
  N      -6.893847      5.170233      3.947946
  C      -7.915794      5.202983      3.060677
  N      -7.871644      5.617326      1.807363
  C      -6.655645      6.020772      1.344300
  C      -6.560295      6.450768     -0.002429
  C      -5.345408      6.844176     -0.515813
  C      -4.183963      6.815755      0.294814
  C      -4.242340      6.410030      1.612160
  C      -5.482726      6.008468      2.178685
  C      -1.884375     -1.232392      4.467595
  C      -2.864580     -1.749426      3.376289
  O      -3.494472     -0.721655      2.545623
  C      -4.062423      0.341049      3.062959
  O      -4.204160      0.522499      4.298428
  C      -4.652639      1.257197      2.040113
  N      -5.839198      1.728412      2.396765
  C      -6.490207      2.485312      1.480043
  N      -6.051201      2.845855      0.290596
  C      -4.810320      2.415335     -0.062692
  C      -4.281264      2.817255     -1.311619
  C      -3.033396      2.386878     -1.696622
  C      -2.266918      1.546732     -0.852284
  C      -2.751171      1.141226      0.370528
  C      -4.035300      1.561875      0.794536
  C      -3.954966     -0.262715      7.136644
  C      -4.861918      0.218380      8.268202
  O      -5.596895      1.407301      7.897882
  C      -6.746609      1.203275      7.209157
  O      -7.138819      0.104680      6.855017
  C      -7.502706      2.497002      6.998993
  N      -7.171526      3.507568      7.796607
  C      -7.926420      4.632048      7.721061
  N      -8.997283      4.822420      6.978457
  C      -9.334936      3.807242      6.132227
  C     -10.463727      3.973363      5.295154
  C     -10.793902      2.992081      4.384915
  C     -10.010123      1.816786      4.277084
  C      -8.924106      1.609833      5.097878
  C      -8.571447      2.589875      6.061323
  H      -2.876559      3.910169      8.042925
  H      -4.190223      3.024435      7.223100
  H      -3.441017      5.966587      6.721585
  H      -4.782916      5.325637      7.724528
  H      -8.880171      4.848986      3.436389
  H      -7.471112      6.445176     -0.602077
  H      -5.270700      7.175717     -1.553141
  H      -3.227485      7.127431     -0.130181
  H      -3.349227      6.403390      2.232191
  H      -2.376792     -1.336072      5.445242
  H      -1.019005     -1.917961      4.463580
  H      -3.670319     -2.348935      3.821174
  H      -2.341945     -2.349574      2.622341
  H      -7.485502      2.827506      1.767107
  H      -4.890167      3.468078     -1.938945
  H      -2.625641      2.692998     -2.658923
  H      -1.278933      1.221536     -1.175380
  H      -2.147687      0.506070      1.016298
  H      -4.580820     -0.444913      6.254786
  H      -3.540686     -1.239710      7.459151
  H      -5.567177     -0.581518      8.531380
  H      -4.291667      0.517418      9.157767
  H      -7.619193      5.458838      8.369113
  H     -11.031522      4.901106      5.385572
  H     -11.655759      3.124403      3.732525
  H     -10.273518      1.061284      3.536103
  H      -8.335794      0.697338      5.018863
  N      -2.144349      2.663718      3.489490
  N      -1.984574      3.292637      2.464662
  H      -1.011406      3.343061      2.102133
98
Coordinates from ORCA-job orca E -6706.363157470121
  N      -2.559160      3.452752      6.018542
  Mo     -2.548241      1.682422      5.077492
  N      -2.858990      0.658508      6.809155
  C      -1.721344      0.583406      7.718040
  C      -0.745801      1.720990      7.468004
  N      -0.533150      1.917892      5.998937
  C      -0.136484      3.320676      5.696879
  C      -1.338531      4.254843      5.945523
  C       0.446545      0.926566      5.458135
  C      -0.064531      0.435749      4.100803
  N      -1.470972      0.147625      4.253256
  H      -1.399590      5.003851      5.137674
  H      -1.206892      4.816819      6.887507
  H       0.167105      3.343265      4.650530
  H       0.729894      3.602910      6.305025
  H       0.509819     -0.448318      3.778612
  H       0.084798      1.221357      3.338595
  H       0.484039      0.078620      6.155340
  H       1.448483      1.380120      5.408032
  H      -2.027845      0.616717      8.779624
  H      -1.214067     -0.396658      7.584587
  H      -1.150181      2.654772      7.869724
  H       0.223019      1.531565      7.958076
  C      -3.453525      3.798323      7.106164
  C      -4.162756      5.134972      6.886473
  O      -5.033370      5.066847      5.736767
  C      -4.602644      5.642466      4.593398
  O      -3.508616      6.164958      4.451900
  C      -5.679673      5.602666      3.529365
  N      -6.882535      5.221064      3.946792
  C      -7.898095      5.267446      3.052173
  N      -7.837822      5.671928      1.798145
  C      -6.605848      6.043371      1.339637
  C      -6.490615      6.460152     -0.008958
  C      -5.258890      6.822926     -0.517663
  C      -4.101152      6.775899      0.299954
  C      -4.178369      6.380710      1.618480
  C      -5.435848      6.011633      2.180209
  C      -1.888806     -1.220772      4.470748
  C      -2.898475     -1.740585      3.403584
  O      -3.545497     -0.716928      2.575401
  C      -4.102560      0.346219      3.103097
  O      -4.211998      0.534257      4.349812
  C      -4.716355      1.264509      2.094785
  N      -5.892645      1.749269      2.491176
  C      -6.557935      2.516983      1.594493
  N      -6.140083      2.877262      0.391561
  C      -4.909850      2.434108     -0.000210
  C      -4.404909      2.829812     -1.267963
  C      -3.172633      2.376498     -1.695628
  C      -2.396042      1.524333     -0.873588
  C      -2.854481      1.128411      0.369775
  C      -4.124761      1.567127      0.833092
  C      -3.921824     -0.267290      7.168420
  C      -4.839530      0.218322      8.289297
  O      -5.584303      1.396489      7.902670
  C      -6.715086      1.182312      7.196510
  O      -7.085157      0.083205      6.834553
  C      -7.470529      2.467115      6.970250
  N      -7.163171      3.472028      7.777161
  C      -7.926345      4.588687      7.682408
  N      -8.986144      4.771537      6.914167
  C      -9.296417      3.761113      6.055727
  C     -10.413069      3.917456      5.193286
  C     -10.706388      2.943713      4.261974
  C      -9.893801      1.787453      4.149616
  C      -8.823380      1.587650      5.000578
  C      -8.514059      2.557718      5.994623
  H      -2.912032      3.890723      8.070405
  H      -4.210541      3.013533      7.217910
  H      -3.458045      5.969641      6.767779
  H      -4.822349      5.315880      7.750152
  H      -8.870050      4.931639      3.420704
  H      -7.399229      6.469877     -0.613388
  H      -5.169486      7.146545     -1.555368
  H      -3.132989      7.065897     -0.121010
  H      -3.288745      6.359142      2.243540
  H      -2.355332     -1.331271      5.461017
  H      -1.021321     -1.903227      4.441455
  H      -3.697296     -2.334358      3.872655
  H      -2.395619     -2.348008      2.643089
  H      -7.547091      2.865102      1.908249
  H      -5.021396      3.489849     -1.878009
  H      -2.785875      2.673141     -2.676495
  H      -1.421225      1.179251     -1.232059
  H      -2.245053      0.481353      0.996695
  H      -4.542613     -0.469478      6.288947
  H      -3.497482     -1.234939      7.505541
  H      -5.538952     -0.585617      8.558217
  H      -4.277334      0.532654      9.176358
  H      -7.640776      5.412188      8.341490
  H     -11.000244      4.832841      5.280552
  H     -11.556890      3.070518      3.587870
  H     -10.122980      1.040533      3.383214
  H      -8.215261      0.689392      4.921688
  N      -2.175688      2.672082      3.508849
  N      -2.028176      3.304419      2.483206
  H      -1.055832      3.354031      2.111485
98
Coordinates from ORCA-job orca E -6706.364040275466
  N      -2.560178      3.457172      6.021068
  Mo     -2.555538      1.684096      5.084352
  N      -2.850416      0.658337      6.818561
  C      -1.708370      0.584990      7.722059
  C      -0.735677      1.724304      7.465834
  N      -0.532919      1.923063      5.994388
  C      -0.138430      3.327540      5.690749
  C      -1.339231      4.256385      5.954299
  C       0.443937      0.933690      5.445016
  C      -0.074181      0.449472      4.088372
  N      -1.478467      0.154907      4.248972
  H      -1.403212      5.014945      5.158591
  H      -1.202861      4.803668      6.900728
  H       0.154854      3.353514      4.636791
  H       0.737952      3.610174      6.292540
  H       0.500534     -0.430690      3.756250
  H       0.066616      1.240452      3.329827
  H       0.482823      0.082303      6.138225
  H       1.445761      1.387178      5.392792
  H      -2.010506      0.619490      8.785132
  H      -1.201406     -0.395162      7.587724
  H      -1.140956      2.656878      7.870590
  H       0.237113      1.538232      7.948497
  C      -3.455632      3.801562      7.106308
  C      -4.156522      5.141182      6.884025
  O      -5.022692      5.072871      5.732035
  C      -4.583502      5.649957      4.592559
  O      -3.488853      6.175812      4.460381
  C      -5.649032      5.610145      3.520228
  N      -6.858206      5.243695      3.929325
  C      -7.862587      5.291938      3.023076
  N      -7.784743      5.684389      1.766575
  C      -6.545593      6.038430      1.317067
  C      -6.410772      6.440231     -0.034648
  C      -5.173230      6.790467     -0.531365
  C      -4.027636      6.742747      0.300633
  C      -4.123189      6.358787      1.621860
  C      -5.387561      6.004872      2.171189
  C      -1.885726     -1.216667      4.471514
  C      -2.908257     -1.740697      3.419344
  O      -3.559189     -0.719912      2.593049
  C      -4.118956      0.340719      3.124301
  O      -4.220812      0.525353      4.369485
  C      -4.755855      1.252687      2.125473
  N      -5.933768      1.711291      2.534062
  C      -6.623409      2.473845      1.651310
  N      -6.223926      2.859973      0.453549
  C      -4.992461      2.442038      0.047617
  C      -4.506964      2.867964     -1.213447
  C      -3.274740      2.439781     -1.655935
  C      -2.481148      1.579129     -0.859011
  C      -2.920680      1.153024      0.376309
  C      -4.186792      1.572700      0.859526
  C      -3.909686     -0.269473      7.185263
  C      -4.828724      0.222143      8.303422
  O      -5.575831      1.398550      7.909799
  C      -6.703059      1.178185      7.193697
  O      -7.065930      0.076418      6.828960
  C      -7.468065      2.458095      6.960436
  N      -7.192603      3.460875      7.784510
  C      -7.970945      4.567221      7.686856
  N      -9.014589      4.742457      6.896905
  C      -9.290504      3.736193      6.020219
  C     -10.387657      3.886101      5.133677
  C     -10.649991      2.915646      4.193964
  C      -9.826594      1.767854      4.099330
  C      -8.773424      1.574368      4.969919
  C      -8.493794      2.542478      5.968519
  H      -2.915923      3.886696      8.073393
  H      -4.216413      3.021648      7.214070
  H      -3.448044      5.971678      6.764667
  H      -4.815120      5.329350      7.744263
  H      -8.843115      4.971734      3.386987
  H      -7.310275      6.450575     -0.650464
  H      -5.069169      7.104142     -1.571365
  H      -3.054994      7.023626     -0.110907
  H      -3.242558      6.334548      2.257983
  H      -2.335118     -1.333391      5.468858
  H      -1.015357     -1.893558      4.425341
  H      -3.703763     -2.327073      3.900786
  H      -2.416417     -2.356335      2.658060
  H      -7.614521      2.796990      1.976471
  H      -5.137717      3.531926     -1.804478
  H      -2.901159      2.762460     -2.628748
  H      -1.507484      1.253504     -1.229562
  H      -2.296611      0.502855      0.985976
  H      -4.532622     -0.481333      6.309163
  H      -3.479558     -1.231972      7.529444
  H      -5.529298     -0.580588      8.575608
  H      -4.267279      0.541106      9.190347
  H      -7.716197      5.387327      8.366158
  H     -10.986350      4.793798      5.213021
  H     -11.486585      3.037039      3.503563
  H     -10.034398      1.022564      3.332210
  H      -8.155451      0.683226      4.901477
  N      -2.210835      2.681943      3.510582
  N      -2.081134      3.318599      2.485765
  H      -1.113917      3.379703      2.105144
98
Coordinates from ORCA-job orca E -6706.364433516585
  N      -2.561001      3.458262      6.029997
  Mo     -2.565396      1.680471      5.094028
  N      -2.837654      0.653483      6.831693
  C      -1.689601      0.585551      7.728686
  C      -0.721759      1.726361      7.463310
  N      -0.533373      1.923792      5.989890
  C      -0.142840      3.329893      5.682742
  C      -1.338141      4.254180      5.980170
  C       0.439809      0.937108      5.428272
  C      -0.089374      0.461259      4.073383
  N      -1.490995      0.158165      4.246402
  H      -1.404938      5.039190      5.210033
  H      -1.194747      4.770652      6.943568
  H       0.127856      3.360399      4.617600
  H       0.750425      3.611492      6.268652
  H       0.485606     -0.412654      3.726382
  H       0.037697      1.259625      3.320870
  H       0.482631      0.081396      6.115538
  H       1.441644      1.390922      5.372335
  H      -1.986333      0.623124      8.793071
  H      -1.182060     -0.394495      7.595246
  H      -1.127277      2.658601      7.869910
  H       0.255948      1.545036      7.936001
  C      -3.470436      3.805399      7.101396
  C      -4.177545      5.142224      6.866562
  O      -5.046245      5.078204      5.720172
  C      -4.607352      5.678299      4.588699
  O      -3.515934      6.212089      4.467039
  C      -5.662681      5.652266      3.504310
  N      -6.882040      5.300382      3.890889
  C      -7.870066      5.358327      2.963180
  N      -7.763596      5.741565      1.704359
  C      -6.515144      6.081787      1.280151
  C      -6.350029      6.474198     -0.072074
  C      -5.099641      6.805856     -0.545311
  C      -3.971541      6.749431      0.311763
  C      -4.098728      6.376818      1.636130
  C      -5.375535      6.041085      2.160239
  C      -1.883144     -1.216531      4.477678
  C      -2.932874     -1.745360      3.454662
  O      -3.584829     -0.728751      2.625536
  C      -4.144760      0.332687      3.156178
  O      -4.237352      0.514535      4.396947
  C      -4.799030      1.241268      2.165387
  N      -5.969378      1.701264      2.591965
  C      -6.670349      2.468592      1.723321
  N      -6.284857      2.861255      0.522299
  C      -5.061086      2.440569      0.096856
  C      -4.589534      2.875563     -1.166074
  C      -3.365789      2.444126     -1.627165
  C      -2.566841      1.572353     -0.846762
  C      -2.991347      1.139792      0.391193
  C      -4.247857      1.563096      0.892910
  C      -3.884728     -0.285332      7.206399
  C      -4.808716      0.211612      8.318187
  O      -5.556717      1.384301      7.916929
  C      -6.676445      1.157777      7.189871
  O      -7.041424      0.052988      6.825010
  C      -7.446202      2.435531      6.950454
  N      -7.204335      3.433144      7.791566
  C      -7.997227      4.529233      7.696461
  N      -9.024992      4.698403      6.894181
  C      -9.263237      3.699967      5.998048
  C     -10.337559      3.845622      5.089655
  C     -10.555524      2.885510      4.123053
  C      -9.714622      1.749527      4.032702
  C      -8.686908      1.557615      4.928168
  C      -8.448339      2.517941      5.944014
  H      -2.936091      3.894035      8.070091
  H      -4.232416      3.024071      7.209418
  H      -3.469191      5.966330      6.740233
  H      -4.835611      5.341204      7.716763
  H      -8.861012      5.051017      3.308998
  H      -7.236413      6.489956     -0.708895
  H      -4.970734      7.109796     -1.587534
  H      -2.986419      7.011259     -0.084141
  H      -3.232049      6.347089      2.292053
  H      -2.302034     -1.341731      5.487440
  H      -1.009541     -1.885896      4.402830
  H      -3.725905     -2.313552      3.960590
  H      -2.464289     -2.380605      2.694294
  H      -7.654559      2.797179      2.069957
  H      -5.224408      3.549328     -1.741965
  H      -3.003062      2.772828     -2.601744
  H      -1.601355      1.243336     -1.232409
  H      -2.363155      0.480746      0.988001
  H      -4.505949     -0.517389      6.333883
  H      -3.440881     -1.236435      7.564323
  H      -5.509195     -0.588678      8.594119
  H      -4.250137      0.538906      9.204813
  H      -7.764173      5.345861      8.382125
  H     -10.952642      4.743186      5.168816
  H     -11.372272      3.004765      3.411889
  H      -9.888163      1.012795      3.244883
  H      -8.052234      0.677007      4.858267
  N      -2.235582      2.682686      3.513826
  N      -2.115913      3.321347      2.488634
  H      -1.152189      3.384671      2.102571
98
Coordinates from ORCA-job orca E -6706.364830823037
  N      -2.571393      3.462858      6.046439
  Mo     -2.577098      1.685844      5.103295
  N      -2.828007      0.650309      6.838704
  C      -1.672445      0.585539      7.725946
  C      -0.712015      1.730686      7.454228
  N      -0.540728      1.933545      5.979660
  C      -0.158085      3.341997      5.675104
  C      -1.350063      4.261054      6.008955
  C       0.432688      0.954486      5.405592
  C      -0.105843      0.486628      4.052809
  N      -1.504139      0.173150      4.236687
  H      -1.423245      5.073310      5.263129
  H      -1.201219      4.747801      6.990346
  H       0.091654      3.380804      4.605497
  H       0.745855      3.619060      6.246748
  H       0.470895     -0.379738      3.692756
  H       0.007725      1.291665      3.306840
  H       0.483223      0.094726      6.086574
  H       1.432501      1.412514      5.345718
  H      -1.961172      0.620711      8.792318
  H      -1.162650     -0.391875      7.587499
  H      -1.117557      2.659659      7.868128
  H       0.272361      1.552442      7.914811
  C      -3.490959      3.806086      7.109995
  C      -4.185369      5.147850      6.878630
  O      -5.035844      5.093957      5.713898
  C      -4.582287      5.688294      4.590633
  O      -3.489053      6.216800      4.484387
  C      -5.628079      5.662581      3.497534
  N      -6.856106      5.341981      3.886802
  C      -7.839442      5.406585      2.957349
  N      -7.720284      5.768766      1.693896
  C      -6.462032      6.073122      1.265301
  C      -6.285475      6.442387     -0.091014
  C      -5.029749      6.748039     -0.565492
  C      -3.906154      6.684777      0.293009
  C      -4.042463      6.330274      1.619657
  C      -5.326335      6.024326      2.146954
  C      -1.882370     -1.204318      4.470038
  C      -2.953341     -1.733191      3.468971
  O      -3.611670     -0.718894      2.642882
  C      -4.171842      0.338599      3.179123
  O      -4.251692      0.518567      4.421022
  C      -4.840915      1.246248      2.197939
  N      -6.008945      1.697378      2.635396
  C      -6.721956      2.465137      1.776494
  N      -6.348861      2.867627      0.575092
  C      -5.127306      2.455534      0.138431
  C      -4.668997      2.899387     -1.126772
  C      -3.447768      2.475538     -1.599818
  C      -2.639469      1.600531     -0.831591
  C      -3.051566      1.157676      0.406742
  C      -4.304158      1.575394      0.922207
  C      -3.867072     -0.294329      7.221166
  C      -4.794490      0.204286      8.331102
  O      -5.548682      1.373120      7.926689
  C      -6.661672      1.143862      7.190285
  O      -7.013261      0.038843      6.815044
  C      -7.439751      2.417066      6.950361
  N      -7.227462      3.408034      7.809080
  C      -8.030260      4.496946      7.706067
  N      -9.040967      4.663752      6.877113
  C      -9.247210      3.673791      5.962507
  C     -10.303792      3.817323      5.029917
  C     -10.493335      2.864584      4.054308
  C      -9.639111      1.738869      3.974960
  C      -8.627014      1.549032      4.890329
  C      -8.419937      2.500711      5.919032
  H      -2.970087      3.884013      8.087685
  H      -4.257157      3.028327      7.198779
  H      -3.467643      5.972222      6.770788
  H      -4.857532      5.342864      7.725069
  H      -8.838076      5.126492      3.307551
  H      -7.169646      6.466224     -0.727704
  H      -4.894127      7.038352     -1.608683
  H      -2.918497      6.928793     -0.102843
  H      -3.179515      6.297738      2.277123
  H      -2.276495     -1.339598      5.488323
  H      -1.005526     -1.866811      4.370071
  H      -3.741669     -2.291891      3.991116
  H      -2.500991     -2.377030      2.706607
  H      -7.705852      2.781224      2.129936
  H      -5.311903      3.573525     -1.694338
  H      -3.094853      2.811875     -2.575606
  H      -1.677039      1.276269     -1.227885
  H      -2.416911      0.494715      0.992908
  H      -4.487075     -0.539592      6.351298
  H      -3.414679     -1.238555      7.586706
  H      -5.492138     -0.597340      8.610741
  H      -4.237591      0.537278      9.216750
  H      -7.824706      5.307413      8.412293
  H     -10.930351      4.706837      5.102166
  H     -11.297887      2.981844      3.327862
  H      -9.790491      1.008346      3.180932
  H      -7.982654      0.676525      4.828998
  N      -2.266219      2.696815      3.524679
  N      -2.157405      3.342268      2.501719
  H      -1.196002      3.413909      2.110560
98
Coordinates from ORCA-job orca E -6706.364852927964
  N      -2.568555      3.468212      6.031139
  Mo     -2.572076      1.685698      5.094305
  N      -2.831094      0.648141      6.824908
  C      -1.678511      0.580607      7.715495
  C      -0.722538      1.730128      7.455550
  N      -0.541412      1.939790      5.984531
  C      -0.153910      3.350419      5.694587
  C      -1.349146      4.265739      6.003140
  C       0.438195      0.964716      5.414070
  C      -0.090219      0.502261      4.055195
  N      -1.487816      0.180874      4.232638
  H      -1.415532      5.069421      5.252963
  H      -1.213730      4.758690      6.980931
  H       0.125344      3.395679      4.638285
  H       0.727332      3.624168      6.292121
  H       0.492923     -0.359332      3.691154
  H       0.019832      1.313969      3.314829
  H       0.484390      0.101561      6.091805
  H       1.437222      1.423760      5.364574
  H      -1.971690      0.608125      8.780766
  H      -1.165766     -0.394511      7.571993
  H      -1.136262      2.654918      7.870115
  H       0.259377      1.554936      7.921773
  C      -3.502153      3.810811      7.086704
  C      -4.194223      5.154773      6.850338
  O      -5.044715      5.102651      5.685571
  C      -4.578333      5.680294      4.565603
  O      -3.478833      6.198289      4.464801
  C      -5.620688      5.667251      3.468087
  N      -6.852460      5.352248      3.849394
  C      -7.831001      5.428667      2.915551
  N      -7.703079      5.795439      1.654182
  C      -6.438760      6.089963      1.231883
  C      -6.249042      6.456635     -0.124913
  C      -4.988200      6.758412     -0.589288
  C      -3.872074      6.694025      0.279246
  C      -4.019532      6.337619      1.603709
  C      -5.308704      6.033670      2.120348
  C      -1.857671     -1.200444      4.464543
  C      -2.938572     -1.733939      3.470261
  O      -3.585833     -0.723622      2.630011
  C      -4.156531      0.334709      3.162453
  O      -4.243423      0.518091      4.412116
  C      -4.823417      1.240062      2.177450
  N      -5.988398      1.699464      2.614569
  C      -6.696447      2.472458      1.755968
  N      -6.320134      2.874972      0.554303
  C      -5.101813      2.454220      0.117208
  C      -4.638532      2.900995     -1.146108
  C      -3.417267      2.474764     -1.617978
  C      -2.616100      1.589958     -0.853621
  C      -3.033829      1.141258      0.381366
  C      -4.285340      1.565472      0.899677
  C      -3.866579     -0.300623      7.206780
  C      -4.795067      0.190045      8.321298
  O      -5.559619      1.359439      7.934934
  C      -6.681014      1.134494      7.206357
  O      -7.020850      0.034243      6.813579
  C      -7.472534      2.402217      6.994097
  N      -7.241999      3.390287      7.847857
  C      -8.044923      4.480151      7.758573
  N      -9.070509      4.650575      6.943341
  C      -9.296802      3.663275      6.032978
  C     -10.371456      3.811116      5.116363
  C     -10.584414      2.860208      4.146125
  C      -9.735860      1.732091      4.054908
  C      -8.705195      1.538586      4.953927
  C      -8.473989      2.488276      5.979190
  H      -2.994293      3.884575      8.072573
  H      -4.269413      3.032886      7.164231
  H      -3.468944      5.973136      6.736656
  H      -4.869409      5.360187      7.695411
  H      -8.831661      5.152666      3.259158
  H      -7.128633      6.485623     -0.768527
  H      -4.843530      7.048491     -1.631733
  H      -2.882721      6.939231     -0.106496
  H      -3.160840      6.301775      2.268520
  H      -2.241282     -1.343695      5.487950
  H      -0.977080     -1.856349      4.353425
  H      -3.733331     -2.280503      4.001234
  H      -2.493377     -2.391908      2.713797
  H      -7.680908      2.786721      2.106168
  H      -5.277173      3.581185     -1.711604
  H      -3.059425      2.817062     -2.589737
  H      -1.654074      1.262496     -1.249881
  H      -2.404276      0.469282      0.962708
  H      -4.483807     -0.552805      6.337699
  H      -3.408198     -1.241430      7.573661
  H      -5.489460     -0.615932      8.600930
  H      -4.234507      0.516831      9.205780
  H      -7.828350      5.286643      8.469518
  H     -10.994192      4.701644      5.197138
  H     -11.403099      2.981023      3.432012
  H      -9.904995      1.003056      3.263321
  H      -8.065084      0.665750      4.882550
  N      -2.256755      2.690537      3.514649
  N      -2.140079      3.335118      2.492003
  H      -1.175518      3.398342      2.103309
98
Coordinates from ORCA-job orca E -6706.365283167642
  N      -2.575145      3.464621      6.040396
  Mo     -2.580925      1.684732      5.099215
  N      -2.821581      0.644669      6.831032
  C      -1.662643      0.594820      7.717437
  C      -0.713665      1.749856      7.444327
  N      -0.546232      1.951004      5.970445
  C      -0.169761      3.359515      5.659748
  C      -1.358454      4.265661      6.009836
  C       0.432444      0.977603      5.396435
  C      -0.105239      0.506854      4.041683
  N      -1.501759      0.182184      4.228598
  H      -1.436960      5.082859      5.282218
  H      -1.208509      4.735251      6.992456
  H       0.066084      3.400954      4.589820
  H       0.735822      3.641200      6.219469
  H       0.478825     -0.355056      3.677195
  H      -0.003110      1.315683      3.296083
  H       0.490168      0.117685      6.078886
  H       1.429446      1.441097      5.335934
  H      -1.951177      0.629071      8.784400
  H      -1.142963     -0.378421      7.579860
  H      -1.125661      2.675775      7.858049
  H       0.272340      1.579301      7.903838
  C      -3.511578      3.800611      7.097055
  C      -4.217491      5.139963      6.864816
  O      -5.061254      5.087142      5.696956
  C      -4.602563      5.696903      4.585561
  O      -3.511666      6.235498      4.492487
  C      -5.644613      5.688417      3.489924
  N      -6.881841      5.403281      3.875078
  C      -7.861629      5.499022      2.945213
  N      -7.729312      5.858509      1.683929
  C      -6.459378      6.118086      1.256687
  C      -6.263209      6.469907     -0.102524
  C      -4.993258      6.729654     -0.575606
  C      -3.875505      6.639650      0.288325
  C      -4.030859      6.300915      1.616521
  C      -5.328081      6.037937      2.140673
  C      -1.860765     -1.200360      4.468459
  C      -2.962240     -1.735476      3.499590
  O      -3.608391     -0.729927      2.654626
  C      -4.176987      0.330296      3.184137
  O      -4.257602      0.517252      4.431754
  C      -4.841546      1.236040      2.198809
  N      -6.001413      1.709850      2.641134
  C      -6.704936      2.487619      1.785503
  N      -6.331249      2.877882      0.579242
  C      -5.118310      2.443025      0.136039
  C      -4.655721      2.881376     -1.129679
  C      -3.435065      2.450146     -1.602462
  C      -2.633499      1.569010     -0.835946
  C      -3.050756      1.128141      0.401608
  C      -4.302994      1.555949      0.919713
  C      -3.847117     -0.312151      7.218047
  C      -4.782878      0.181409      8.323187
  O      -5.550990      1.342000      7.922741
  C      -6.670683      1.111423      7.194192
  O      -7.016211      0.008969      6.809889
  C      -7.455235      2.382407      6.973952
  N      -7.244787      3.356747      7.845674
  C      -8.046800      4.446662      7.757085
  N      -9.055087      4.628645      6.925800
  C      -9.258701      3.657247      5.996191
  C     -10.310508      3.820634      5.058257
  C     -10.496076      2.888726      4.063712
  C      -9.642856      1.764607      3.970417
  C      -8.635413      1.554974      4.890586
  C      -8.432467      2.484710      5.939504
  H      -2.999821      3.878851      8.081385
  H      -4.273901      3.015320      7.178849
  H      -3.500293      5.965793      6.761392
  H      -4.900769      5.332090      7.704875
  H      -8.869457      5.253193      3.295218
  H      -7.144129      6.517997     -0.742879
  H      -4.841767      7.004214     -1.622122
  H      -2.876798      6.848087     -0.105150
  H      -3.169656      6.243929      2.277067
  H      -2.220865     -1.345824      5.498230
  H      -0.980075     -1.852022      4.337914
  H      -3.754880     -2.263942      4.048207
  H      -2.535523     -2.410063      2.748159
  H      -7.682945      2.819406      2.144831
  H      -5.293141      3.560844     -1.695708
  H      -3.077655      2.787634     -2.575491
  H      -1.671256      1.238578     -1.232391
  H      -2.421546      0.458417      0.984255
  H      -4.456328     -0.580512      6.347829
  H      -3.382036     -1.244235      7.597403
  H      -5.471098     -0.627582      8.608853
  H      -4.227243      0.522584      9.206040
  H      -7.845824      5.242054      8.482378
  H     -10.936662      4.708193      5.140883
  H     -11.296374      3.021833      3.332219
  H      -9.788414      1.052233      3.157815
  H      -7.990933      0.685511      4.815953
  N      -2.266323      2.689541      3.517865
  N      -2.151666      3.334950      2.495321
  H      -1.188420      3.395830      2.103623
98
Coordinates from ORCA-job orca E -6706.365488568657
  N      -2.590590      3.457653      6.057958
  Mo     -2.582883      1.675755      5.113263
  N      -2.823200      0.623457      6.835307
  C      -1.662204      0.562371      7.718560
  C      -0.716779      1.722439      7.463160
  N      -0.549038      1.946834      5.990537
  C      -0.176910      3.364270      5.705480
  C      -1.377464      4.265898      6.049305
  C       0.437343      0.988137      5.402999
  C      -0.098672      0.533781      4.044608
  N      -1.491604      0.191054      4.229268
  H      -1.454122      5.098715      5.324371
  H      -1.241581      4.729987      7.045270
  H       0.079046      3.423867      4.636372
  H       0.720963      3.636558      6.291168
  H       0.491124     -0.314148      3.663897
  H      -0.007723      1.354885      3.314375
  H       0.500131      0.119778      6.071995
  H       1.431828      1.459779      5.349667
  H      -1.950427      0.579235      8.785202
  H      -1.140875     -0.406119      7.564517
  H      -1.136043      2.638692      7.890629
  H       0.271140      1.550366      7.920024
  C      -3.546781      3.795850      7.093548
  C      -4.235068      5.136904      6.851001
  O      -5.078848      5.090019      5.679390
  C      -4.617762      5.702223      4.563463
  O      -3.521043      6.222916      4.462987
  C      -5.661106      5.696379      3.470028
  N      -6.901644      5.430846      3.859411
  C      -7.880724      5.532767      2.927491
  N      -7.742979      5.876782      1.661060
  C      -6.473145      6.119767      1.232983
  C      -6.278282      6.469220     -0.123515
  C      -5.008513      6.713261     -0.597180
  C      -3.889039      6.608646      0.263570
  C      -4.045200      6.275941      1.591723
  C      -5.343011      6.032176      2.117518
  C      -1.832035     -1.195826      4.458862
  C      -2.958662     -1.722600      3.512507
  O      -3.598821     -0.716552      2.665891
  C      -4.177929      0.333023      3.199052
  O      -4.261700      0.506702      4.440578
  C      -4.850181      1.241867      2.222672
  N      -5.999310      1.727308      2.680195
  C      -6.706355      2.511843      1.834113
  N      -6.343011      2.901896      0.624315
  C      -5.140172      2.456382      0.166432
  C      -4.690434      2.890241     -1.107176
  C      -3.482005      2.446105     -1.598770
  C      -2.678536      1.560406     -0.838710
  C      -3.082858      1.125091      0.407487
  C      -4.324339      1.560632      0.939301
  C      -3.850013     -0.334142      7.217230
  C      -4.785150      0.162518      8.318132
  O      -5.532222      1.332642      7.919008
  C      -6.634136      1.108506      7.171808
  O      -6.980742      0.008081      6.773702
  C      -7.413686      2.385143      6.950747
  N      -7.210820      3.356293      7.833876
  C      -8.011745      4.448173      7.749581
  N      -9.008974      4.637984      6.911569
  C      -9.207052      3.668820      5.974447
  C     -10.250330      3.837587      5.035021
  C     -10.436273      2.901898      4.040395
  C      -9.591547      1.768707      3.950013
  C      -8.591387      1.555139      4.870165
  C      -8.386296      2.490204      5.916144
  H      -3.053868      3.872769      8.086343
  H      -4.313636      3.013274      7.161133
  H      -3.505969      5.951758      6.746455
  H      -4.914761      5.342653      7.687406
  H      -8.891248      5.304935      3.280949
  H      -7.159800      6.527777     -0.762705
  H      -4.857482      6.985167     -1.641819
  H      -2.887617      6.800083     -0.132538
  H      -3.183200      6.208545      2.249984
  H      -2.161643     -1.362521      5.497057
  H      -0.946642     -1.834524      4.293078
  H      -3.752594     -2.229029      4.078069
  H      -2.552071     -2.413943      2.764154
  H      -7.675938      2.854533      2.209456
  H      -5.330466      3.573382     -1.665524
  H      -3.136003      2.776234     -2.581927
  H      -1.726159      1.219121     -1.248749
  H      -2.453945      0.447268      0.980902
  H      -4.456687     -0.601606      6.344456
  H      -3.386416     -1.266250      7.597929
  H      -5.483441     -0.638678      8.591626
  H      -4.233192      0.492930      9.208110
  H      -7.808424      5.242201      8.470293
  H     -10.873711      4.729269      5.119248
  H     -11.231607      3.037223      3.310005
  H      -9.738910      1.052533      3.139625
  H      -7.950706      0.679363      4.796841
  N      -2.263022      2.693255      3.534423
  N      -2.147778      3.346903      2.517047
  H      -1.188627      3.397516      2.115716
98
Coordinates from ORCA-job orca E -6706.366067093560
  N      -2.593309      3.463369      6.058429
  Mo     -2.593285      1.686802      5.107779
  N      -2.822810      0.625873      6.824939
  C      -1.657686      0.570570      7.703359
  C      -0.716623      1.734205      7.446253
  N      -0.554702      1.957944      5.974754
  C      -0.187862      3.373268      5.684342
  C      -1.381259      4.271010      6.052167
  C       0.428744      1.000970      5.381588
  C      -0.113691      0.547281      4.024906
  N      -1.506283      0.204193      4.215617
  H      -1.462652      5.113922      5.343131
  H      -1.236598      4.717367      7.054315
  H       0.045884      3.432093      4.614063
  H       0.718549      3.648366      6.249466
  H       0.475095     -0.300775      3.641463
  H      -0.026023      1.368679      3.294278
  H       0.497167      0.132686      6.049836
  H       1.422197      1.472833      5.321686
  H      -1.942670      0.586018      8.771023
  H      -1.132430     -0.395677      7.547029
  H      -1.134187      2.650261      7.876485
  H       0.271893      1.561430      7.900185
  C      -3.550631      3.799539      7.093719
  C      -4.247292      5.137323      6.851626
  O      -5.082634      5.086682      5.675346
  C      -4.619874      5.706371      4.567909
  O      -3.527134      6.241275      4.478948
  C      -5.659255      5.704655      3.469466
  N      -6.905710      5.458834      3.853785
  C      -7.878576      5.567631      2.915583
  N      -7.730123      5.900951      1.646520
  C      -6.454824      6.121836      1.222849
  C      -6.247502      6.454611     -0.138176
  C      -4.971293      6.672884     -0.608889
  C      -3.857760      6.558941      0.259541
  C      -4.025598      6.242512      1.591593
  C      -5.330071      6.024779      2.114581
  C      -1.839798     -1.184671      4.452665
  C      -2.989083     -1.711843      3.531496
  O      -3.613960     -0.708953      2.671654
  C      -4.191688      0.347665      3.199656
  O      -4.279778      0.525655      4.442899
  C      -4.851829      1.257274      2.217044
  N      -6.003217      1.746844      2.660094
  C      -6.701856      2.527591      1.801777
  N      -6.331242      2.905607      0.590510
  C      -5.124567      2.458102      0.148716
  C      -4.664997      2.881926     -1.124638
  C      -3.449024      2.441301     -1.598299
  C      -2.648469      1.566928     -0.821609
  C      -3.064368      1.137694      0.422355
  C      -4.313818      1.570379      0.937215
  C      -3.838792     -0.342224      7.207735
  C      -4.774428      0.143004      8.314892
  O      -5.536094      1.308194      7.925170
  C      -6.650107      1.083240      7.193813
  O      -6.998882     -0.016500      6.797807
  C      -7.432205      2.360047      6.984026
  N      -7.229164      3.324563      7.873117
  C      -8.028114      4.418250      7.793650
  N      -9.024236      4.615598      6.954033
  C      -9.221150      3.654214      6.009114
  C     -10.261490      3.832320      5.064867
  C     -10.446676      2.904501      4.062652
  C      -9.604184      1.770265      3.969535
  C      -8.606408      1.547978      4.893497
  C      -8.402259      2.474507      5.946799
  H      -3.056061      3.878773      8.086091
  H      -4.313847      3.014908      7.163795
  H      -3.523146      5.956820      6.755003
  H      -4.935881      5.334379      7.683067
  H      -8.892611      5.355534      3.265051
  H      -7.124939      6.520935     -0.783166
  H      -4.810800      6.931772     -1.656585
  H      -2.851998      6.730385     -0.133346
  H      -3.167535      6.168574      2.255106
  H      -2.146994     -1.352973      5.497899
  H      -0.956765     -1.820543      4.267676
  H      -3.787791     -2.190102      4.116407
  H      -2.604700     -2.427758      2.793907
  H      -7.672498      2.874998      2.165475
  H      -5.302048      3.557384     -1.696459
  H      -3.094538      2.766528     -2.579438
  H      -1.688996      1.230056     -1.216616
  H      -2.437376      0.467971      1.008643
  H      -4.443004     -0.615492      6.334937
  H      -3.364924     -1.270740      7.586654
  H      -5.462993     -0.666039      8.593342
  H      -4.217940      0.475398      9.201287
  H      -7.827698      5.205412      8.525603
  H     -10.883238      4.724521      5.151448
  H     -11.239763      3.047112      3.328123
  H      -9.751024      1.060498      3.154212
  H      -7.968283      0.671223      4.819128
  N      -2.275339      2.707290      3.531475
  N      -2.159430      3.364549      2.516741
  H      -1.199111      3.420810      2.117843
98
Coordinates from ORCA-job orca E -6706.366606059592
  N      -2.598582      3.462999      6.049042
  Mo     -2.590482      1.685840      5.106690
  N      -2.817854      0.616800      6.815173
  C      -1.654234      0.565928      7.696923
  C      -0.723775      1.741616      7.450515
  N      -0.553729      1.973880      5.980611
  C      -0.192251      3.392379      5.696579
  C      -1.393527      4.278226      6.047071
  C       0.436613      1.023538      5.389357
  C      -0.098910      0.571396      4.028060
  N      -1.488946      0.216398      4.214871
  H      -1.475930      5.111222      5.334570
  H      -1.258612      4.730437      7.042317
  H       0.054662      3.456972      4.631344
  H       0.702646      3.672845      6.273044
  H       0.497385     -0.271547      3.640842
  H      -0.017658      1.398673      3.301404
  H       0.508317      0.153121      6.056603
  H       1.427141      1.500245      5.332666
  H      -1.942635      0.570807      8.764637
  H      -1.119035     -0.395036      7.534656
  H      -1.153072      2.651250      7.882787
  H       0.262245      1.575377      7.912517
  C      -3.565082      3.788397      7.082113
  C      -4.263922      5.130880      6.846302
  O      -5.099247      5.082643      5.671285
  C      -4.639039      5.704929      4.566357
  O      -3.543926      6.230590      4.475527
  C      -5.681917      5.725076      3.472328
  N      -6.933398      5.506249      3.856621
  C      -7.903609      5.631940      2.918035
  N      -7.748187      5.956362      1.648373
  C      -6.466862      6.145403      1.223735
  C      -6.247981      6.457963     -0.142583
  C      -4.967664      6.647690     -0.610144
  C      -3.861441      6.527072      0.266793
  C      -4.038343      6.227179      1.601320
  C      -5.346215      6.034536      2.118975
  C      -1.804261     -1.179337      4.448238
  C      -2.981467     -1.704911      3.560966
  O      -3.584030     -0.710129      2.675903
  C      -4.176135      0.343831      3.199557
  O      -4.273363      0.519678      4.449694
  C      -4.835741      1.246551      2.212402
  N      -5.981797      1.746180      2.658900
  C      -6.680881      2.525820      1.799364
  N      -6.318421      2.889315      0.580251
  C      -5.116373      2.432131      0.134023
  C      -4.661973      2.847402     -1.143543
  C      -3.445311      2.408772     -1.616979
  C      -2.641308      1.539947     -0.838614
  C      -3.054979      1.113524      0.406346
  C      -4.303332      1.548262      0.925272
  C      -3.828438     -0.360373      7.190142
  C      -4.772816      0.108847      8.296257
  O      -5.545628      1.271736      7.917438
  C      -6.665428      1.054896      7.190485
  O      -7.010282     -0.036240      6.778896
  C      -7.443826      2.335563      6.997878
  N      -7.225486      3.286437      7.893189
  C      -8.008889      4.391774      7.819833
  N      -8.999099      4.615909      6.974925
  C      -9.211500      3.668335      6.022714
  C     -10.245798      3.876234      5.073656
  C     -10.451439      2.960303      4.068774
  C      -9.633901      1.809482      3.973457
  C      -8.639014      1.561040      4.898807
  C      -8.415164      2.474635      5.958563
  H      -3.077426      3.858615      8.080582
  H      -4.324302      3.000521      7.143712
  H      -3.541944      5.954484      6.747619
  H      -4.950664      5.324127      7.684590
  H      -8.923241      5.447693      3.269545
  H      -7.120218      6.533692     -0.793050
  H      -4.798967      6.891537     -1.661240
  H      -2.855325      6.681680     -0.120299
  H      -3.184937      6.145931      2.270008
  H      -2.077437     -1.362782      5.499080
  H      -0.922465     -1.802953      4.229349
  H      -3.785655     -2.138779      4.172046
  H      -2.626126     -2.455835      2.847425
  H      -7.645435      2.883451      2.167774
  H      -5.301029      3.519653     -1.716478
  H      -3.092616      2.733147     -2.596893
  H      -1.679380      1.206550     -1.231487
  H      -2.423861      0.449379      0.994923
  H      -4.423316     -0.634646      6.312266
  H      -3.349578     -1.286814      7.566818
  H      -5.454055     -0.711127      8.567107
  H      -4.219440      0.436328      9.185210
  H      -7.808185      5.162586      8.573951
  H     -10.848748      4.779590      5.161967
  H     -11.241420      3.124945      3.332276
  H      -9.795964      1.108651      3.154839
  H      -8.019692      0.672791      4.823310
  N      -2.276169      2.706782      3.529250
  N      -2.155978      3.364552      2.518109
  H      -1.197258      3.403519      2.110625
98
Coordinates from ORCA-job orca E -6706.367247214951
  N      -2.605355      3.464755      6.053329
  Mo     -2.594425      1.694075      5.104849
  N      -2.819774      0.611194      6.803183
  C      -1.656034      0.557833      7.684287
  C      -0.730040      1.738815      7.448097
  N      -0.557621      1.980713      5.980555
  C      -0.200048      3.401176      5.705338
  C      -1.403320      4.282977      6.061574
  C       0.434036      1.036270      5.382756
  C      -0.100849      0.592911      4.019152
  N      -1.489757      0.231908      4.204284
  H      -1.486896      5.122355      5.355816
  H      -1.269990      4.726629      7.062248
  H       0.045284      3.471210      4.640716
  H       0.695480      3.681511      6.281273
  H       0.497472     -0.245189      3.625330
  H      -0.022227      1.425820      3.299388
  H       0.508187      0.162393      6.043926
  H       1.423263      1.515100      5.327034
  H      -1.945302      0.553117      8.751640
  H      -1.116514     -0.399509      7.514530
  H      -1.163148      2.644468      7.885887
  H       0.254487      1.572102      7.912002
  C      -3.576152      3.785660      7.082570
  C      -4.273676      5.127902      6.848280
  O      -5.106103      5.080623      5.671514
  C      -4.646174      5.709090      4.571133
  O      -3.550606      6.240769      4.483945
  C      -5.689178      5.737760      3.477015
  N      -6.942918      5.541990      3.862905
  C      -7.910360      5.675960      2.923164
  N      -7.750117      5.986037      1.650571
  C      -6.467138      6.150402      1.224366
  C      -6.242927      6.443269     -0.146110
  C      -4.958074      6.595844     -0.618558
  C      -3.854182      6.462163      0.258813
  C      -4.036988      6.185898      1.598755
  C      -5.348584      6.028051      2.120380
  C      -1.794436     -1.167348      4.433798
  C      -3.003746     -1.682842      3.583835
  O      -3.581728     -0.692531      2.679953
  C      -4.176292      0.365605      3.198969
  O      -4.284618      0.536883      4.447645
  C      -4.827235      1.270506      2.210013
  N      -5.969614      1.781792      2.654132
  C      -6.663317      2.561609      1.790848
  N      -6.302220      2.909767      0.567219
  C      -5.103261      2.441117      0.122709
  C      -4.650344      2.838340     -1.161664
  C      -3.435208      2.391788     -1.632461
  C      -2.631531      1.532094     -0.844291
  C      -3.045831      1.119781      0.405721
  C      -4.292743      1.561742      0.921149
  C      -3.826948     -0.371237      7.174335
  C      -4.766853      0.090332      8.287801
  O      -5.539209      1.255456      7.915698
  C      -6.667265      1.038692      7.198071
  O      -7.018611     -0.054163      6.790735
  C      -7.446215      2.321565      7.010478
  N      -7.227710      3.270569      7.910059
  C      -8.009727      4.378302      7.840328
  N      -8.994301      4.610352      6.991183
  C      -9.206670      3.664499      6.035022
  C     -10.234544      3.880145      5.080196
  C     -10.443808      2.963103      4.074894
  C      -9.637063      1.802967      3.986475
  C      -8.646421      1.548898      4.915340
  C      -8.417429      2.464646      5.972988
  H      -3.091377      3.852536      8.082380
  H      -4.334423      2.997171      7.140558
  H      -3.553474      5.951574      6.753771
  H      -4.959494      5.317625      7.685626
  H      -8.930439      5.508122      3.273795
  H      -7.112981      6.529203     -0.797493
  H      -4.784435      6.820320     -1.674195
  H      -2.843311      6.586598     -0.132107
  H      -3.185602      6.096146      2.267120
  H      -2.032486     -1.363005      5.491527
  H      -0.918150     -1.784718      4.178831
  H      -3.812023     -2.067785      4.220877
  H      -2.684851     -2.468988      2.890489
  H      -7.623497      2.931172      2.158024
  H      -5.289378      3.502971     -1.743374
  H      -3.083810      2.702336     -2.618096
  H      -1.670014      1.193094     -1.234483
  H      -2.416057      0.461013      1.000865
  H      -4.424107     -0.640489      6.295898
  H      -3.344075     -1.299132      7.543063
  H      -5.447559     -0.730997      8.556477
  H      -4.209023      0.411548      9.177164
  H      -7.809408      5.145879      8.596244
  H     -10.830395      4.789194      5.164840
  H     -11.229336      3.133212      3.333616
  H      -9.803586      1.099808      3.170155
  H      -8.034534      0.653900      4.845335
  N      -2.274339      2.724825      3.530193
  N      -2.148384      3.388345      2.523905
  H      -1.192254      3.415193      2.108921
98
Coordinates from ORCA-job orca E -6706.367942970926
  N      -2.618671      3.461214      6.066777
  Mo     -2.603219      1.697904      5.112553
  N      -2.819615      0.601047      6.801310
  C      -1.654530      0.545149      7.681074
  C      -0.733450      1.732113      7.452299
  N      -0.562023      1.983780      5.986263
  C      -0.211097      3.406552      5.719141
  C      -1.418878      4.285550      6.081824
  C       0.429661      1.046335      5.378912
  C      -0.109172      0.613119      4.014355
  N      -1.495356      0.244471      4.200909
  H      -1.503337      5.131642      5.378579
  H      -1.288033      4.724908      7.087689
  H       0.032462      3.481398      4.653509
  H       0.685862      3.688569      6.293196
  H       0.490225     -0.218170      3.610942
  H      -0.035982      1.452865      3.303666
  H       0.508429      0.168185      6.032523
  H       1.417888      1.528500      5.321834
  H      -1.942057      0.530548      8.748605
  H      -1.110609     -0.408286      7.504644
  H      -1.170561      2.633811      7.894940
  H       0.251441      1.567222      7.917917
  C      -3.593741      3.781100      7.087787
  C      -4.285966      5.121959      6.852160
  O      -5.117368      5.078786      5.673215
  C      -4.659374      5.716858      4.575719
  O      -3.560237      6.244203      4.489978
  C      -5.703570      5.758121      3.478690
  N      -6.960554      5.579623      3.864567
  C      -7.925778      5.719458      2.920434
  N      -7.759677      6.017910      1.643513
  C      -6.474946      6.169656      1.219805
  C      -6.249288      6.458951     -0.149262
  C      -4.962704      6.590836     -0.619083
  C      -3.859232      6.442902      0.259046
  C      -4.044199      6.176739      1.599968
  C      -5.357839      6.038935      2.119758
  C      -1.787983     -1.158404      4.423028
  C      -3.037316     -1.660283      3.623711
  O      -3.594131     -0.677975      2.696085
  C      -4.183436      0.388232      3.209057
  O      -4.299740      0.553758      4.456295
  C      -4.826633      1.293171      2.215921
  N      -5.966120      1.813305      2.655001
  C      -6.659016      2.584922      1.782870
  N      -6.302994      2.912624      0.554206
  C      -5.106515      2.435591      0.114414
  C      -4.659223      2.809302     -1.177089
  C      -3.447082      2.353672     -1.644109
  C      -2.640129      1.509157     -0.843443
  C      -3.050169      1.118631      0.414071
  C      -4.293793      1.568454      0.923874
  C      -3.823943     -0.388257      7.166230
  C      -4.762061      0.062887      8.284795
  O      -5.525148      1.232903      7.915867
  C      -6.648334      1.019880      7.196157
  O      -7.007390     -0.073401      6.793061
  C      -7.418940      2.308408      7.002621
  N      -7.200971      3.259615      7.905830
  C      -7.976803      4.372116      7.833308
  N      -8.948940      4.612021      6.975756
  C      -9.160430      3.662866      6.017685
  C     -10.177991      3.883965      5.057389
  C     -10.392580      2.958987      4.056928
  C      -9.602340      1.784449      3.980614
  C      -8.619219      1.527598      4.912429
  C      -8.383829      2.453018      5.962766
  H      -3.113233      3.845755      8.087096
  H      -4.353640      2.993512      7.140969
  H      -3.566939      5.944060      6.762536
  H      -4.967069      5.309711      7.688907
  H      -8.949093      5.563239      3.266880
  H      -7.118755      6.555629     -0.802266
  H      -4.788248      6.809409     -1.673874
  H      -2.844397      6.547299     -0.131647
  H      -3.194306      6.083836      2.270215
  H      -1.980324     -1.371472      5.489296
  H      -0.920266     -1.767303      4.121464
  H      -3.843511     -1.986357      4.295173
  H      -2.765299     -2.485546      2.956039
  H      -7.614157      2.968052      2.146856
  H      -5.300010      3.462384     -1.769765
  H      -3.100599      2.643967     -2.637250
  H      -1.680517      1.164031     -1.230241
  H      -2.418706      0.471761      1.019880
  H      -4.426283     -0.645485      6.287729
  H      -3.337835     -1.319595      7.521543
  H      -5.446126     -0.757167      8.541677
  H      -4.206228      0.373933      9.179083
  H      -7.777033      5.139807      8.586330
  H     -10.762809      4.802355      5.135134
  H     -11.171623      3.132301      3.312941
  H      -9.776757      1.072456      3.172692
  H      -8.020270      0.621216      4.853904
  N      -2.285018      2.739680      3.541039
  N      -2.158286      3.409683      2.539429
  H      -1.208341      3.426323      2.110188
98
Coordinates from ORCA-job orca E -6706.368655710046
  N      -2.621180      3.461311      6.074186
  Mo     -2.600382      1.703383      5.117018
  N      -2.816387      0.594899      6.797257
  C      -1.654375      0.531309      7.679286
  C      -0.735903      1.721487      7.462290
  N      -0.560825      1.984875      5.998534
  C      -0.210582      3.410749      5.743930
  C      -1.423083      4.287366      6.100110
  C       0.433676      1.053945      5.386337
  C      -0.101533      0.634946      4.017137
  N      -1.485737      0.257794      4.197941
  H      -1.504845      5.134604      5.396057
  H      -1.299708      4.725673      7.108105
  H       0.043081      3.491173      4.678805
  H       0.683021      3.692187      6.327862
  H       0.501560     -0.187902      3.603368
  H      -0.031901      1.484441      3.318427
  H       0.510572      0.170090      6.031650
  H       1.421406      1.537829      5.336276
  H      -1.944510      0.506850      8.745484
  H      -1.108710     -0.419512      7.497095
  H      -1.178801      2.618194      7.909565
  H       0.248025      1.558313      7.930637
  C      -3.602713      3.776070      7.090139
  C      -4.291323      5.118798      6.856400
  O      -5.123206      5.080740      5.676464
  C      -4.664905      5.722574      4.580906
  O      -3.562730      6.242648      4.490690
  C      -5.710079      5.771832      3.488093
  N      -6.965668      5.615918      3.882577
  C      -7.931831      5.763745      2.943364
  N      -7.766996      6.048916      1.665157
  C      -6.482111      6.176480      1.233177
  C      -6.255857      6.443965     -0.139506
  C      -4.968126      6.542727     -0.617241
  C      -3.865051      6.387709      0.256032
  C      -4.050404      6.146060      1.601248
  C      -5.364649      6.037226      2.127506
  C      -1.767258     -1.148819      4.400875
  C      -3.046411     -1.633078      3.645220
  O      -3.585900     -0.656876      2.701959
  C      -4.174178      0.412709      3.210871
  O      -4.300722      0.572338      4.456411
  C      -4.815504      1.319057      2.219754
  N      -5.947088      1.851224      2.668705
  C      -6.644422      2.619884      1.799233
  N      -6.301013      2.931881      0.562368
  C      -5.111762      2.443214      0.111968
  C      -4.678548      2.797883     -1.189809
  C      -3.474742      2.328444     -1.667416
  C      -2.661756      1.489898     -0.866497
  C      -3.058837      1.117106      0.401347
  C      -4.293930      1.580029      0.920300
  C      -3.823890     -0.394381      7.156537
  C      -4.760396      0.050865      8.279485
  O      -5.521691      1.223744      7.913961
  C      -6.647983      1.011608      7.194694
  O      -7.008781     -0.081741      6.793083
  C      -7.419303      2.299898      6.999756
  N      -7.200642      3.252832      7.899567
  C      -7.972028      4.368100      7.819522
  N      -8.933177      4.613322      6.952982
  C      -9.144684      3.661670      5.999119
  C     -10.149680      3.888534      5.028205
  C     -10.364299      2.960032      4.030411
  C      -9.588887      1.774543      3.969626
  C      -8.617319      1.513417      4.912389
  C      -8.379589      2.444511      5.957351
  H      -3.129363      3.831842      8.092893
  H      -4.364629      2.988967      7.132459
  H      -3.571052      5.942364      6.769813
  H      -4.971974      5.306115      7.695500
  H      -8.957116      5.628104      3.295315
  H      -7.124799      6.547911     -0.789278
  H      -4.793397      6.740501     -1.676159
  H      -2.849277      6.465948     -0.141435
  H      -3.199990      6.047871      2.268298
  H      -1.917498     -1.388851      5.468250
  H      -0.908974     -1.745838      4.050419
  H      -3.846924     -1.908063      4.341086
  H      -2.814423     -2.487583      3.001094
  H      -7.593329      3.013312      2.171821
  H      -5.323341      3.446640     -1.782875
  H      -3.139407      2.602324     -2.669809
  H      -1.708981      1.134101     -1.261781
  H      -2.424106      0.473947      1.007357
  H      -4.432326     -0.639487      6.279372
  H      -3.338586     -1.329506      7.500472
  H      -5.447518     -0.769139      8.528566
  H      -4.206181      0.354877      9.177341
  H      -7.778318      5.134732      8.573233
  H     -10.724212      4.814332      5.095252
  H     -11.133152      3.138004      3.277101
  H      -9.764329      1.057985      3.163216
  H      -8.027905      0.599781      4.863956
  N      -2.282502      2.756945      3.546791
  N      -2.153024      3.433014      2.549426
  H      -1.210144      3.430750      2.105005
98
Coordinates from ORCA-job orca E -6706.369430926506
  N      -2.623425      3.461088      6.085308
  Mo     -2.602495      1.707486      5.124241
  N      -2.807607      0.590241      6.799298
  C      -1.644551      0.523390      7.679233
  C      -0.729384      1.716262      7.465406
  N      -0.559958      1.988230      6.002962
  C      -0.214317      3.416393      5.753107
  C      -1.426058      4.287968      6.115985
  C       0.435018      1.063943      5.382475
  C      -0.104223      0.655118      4.010943
  N      -1.485837      0.269466      4.192792
  H      -1.507760      5.137713      5.417914
  H      -1.303932      4.719172      7.125009
  H       0.034666      3.501562      4.687221
  H       0.680172      3.698925      6.333529
  H       0.501389     -0.160866      3.585999
  H      -0.042096      1.512934      3.320674
  H       0.515295      0.175017      6.021584
  H       1.421704      1.550680      5.334036
  H      -1.932898      0.493813      8.745716
  H      -1.098113     -0.426049      7.493574
  H      -1.174426      2.608784      7.918182
  H       0.256835      1.555238      7.930340
  C      -3.612740      3.768852      7.099042
  C      -4.304537      5.111698      6.868237
  O      -5.133378      5.078339      5.685771
  C      -4.671792      5.726297      4.596797
  O      -3.568794      6.243127      4.509855
  C      -5.715212      5.787532      3.504114
  N      -6.972438      5.651859      3.899941
  C      -7.936573      5.809664      2.960678
  N      -7.767592      6.084108      1.681415
  C      -6.479651      6.190861      1.248497
  C      -6.247460      6.441935     -0.125983
  C      -4.957778      6.518253     -0.601667
  C      -3.858470      6.358816      0.274414
  C      -4.048692      6.133655      1.620884
  C      -5.365027      6.043978      2.144204
  C      -1.754990     -1.140868      4.377930
  C      -3.069726     -1.609578      3.678828
  O      -3.601507     -0.643780      2.718612
  C      -4.180197      0.433764      3.220553
  O      -4.308866      0.594706      4.468599
  C      -4.818664      1.341183      2.229011
  N      -5.940284      1.889897      2.688272
  C      -6.640849      2.655785      1.820768
  N      -6.310536      2.948610      0.574737
  C      -5.130616      2.444270      0.113087
  C      -4.709632      2.780244     -1.197190
  C      -3.514784      2.294205     -1.684277
  C      -2.698035      1.458551     -0.884777
  C      -3.082544      1.104920      0.392691
  C      -4.308988      1.584344      0.920817
  C      -3.815600     -0.397920      7.160361
  C      -4.750047      0.049798      8.284328
  O      -5.512400      1.220828      7.913240
  C      -6.640672      1.003384      7.195553
  O      -7.001829     -0.093655      6.804534
  C      -7.408789      2.289652      6.985723
  N      -7.197407      3.245433      7.884790
  C      -7.965583      4.361548      7.790076
  N      -8.911813      4.607448      6.904977
  C      -9.115917      3.652376      5.952998
  C     -10.107726      3.879537      4.967638
  C     -10.320476      2.945350      3.978933
  C      -9.555935      1.752971      3.939372
  C      -8.594488      1.492948      4.893032
  C      -8.358805      2.430699      5.930836
  H      -3.144936      3.816914      8.105204
  H      -4.375159      2.980018      7.130995
  H      -3.585537      5.936680      6.786422
  H      -4.989598      5.296713      7.705804
  H      -8.964615      5.690882      3.312263
  H      -7.113869      6.551651     -0.777974
  H      -4.779199      6.701613     -1.662449
  H      -2.842718      6.420018     -0.121748
  H      -3.199813      6.031928      2.290655
  H      -1.852131     -1.412054      5.444966
  H      -0.911317     -1.723450      3.971091
  H      -3.857003     -1.830686      4.407300
  H      -2.883781     -2.493006      3.060069
  H      -7.582347      3.062463      2.202024
  H      -5.354717      3.430072     -1.788031
  H      -3.188779      2.553346     -2.693220
  H      -1.752635      1.090179     -1.288214
  H      -2.445235      0.465002      0.999015
  H      -4.431146     -0.638298      6.287204
  H      -3.330290     -1.333639      7.499281
  H      -5.438824     -0.769501      8.534085
  H      -4.197301      0.356702      9.182262
  H      -7.783466      5.129429      8.547240
  H     -10.675904      4.809832      5.021146
  H     -11.080985      3.123078      3.217523
  H      -9.732791      1.030119      3.142340
  H      -8.014300      0.574018      4.860188
  N      -2.292484      2.767265      3.555171
  N      -2.164322      3.446701      2.560620
  H      -1.228931      3.427033      2.100031
98
Coordinates from ORCA-job orca E -6706.370074326924
  N      -2.622560      3.465128      6.097996
  Mo     -2.609093      1.713678      5.134069
  N      -2.800142      0.589502      6.805567
  C      -1.633585      0.517608      7.680368
  C      -0.719865      1.711799      7.468110
  N      -0.558942      1.991423      6.006832
  C      -0.215241      3.420360      5.760101
  C      -1.424147      4.289962      6.128796
  C       0.433073      1.072190      5.375670
  C      -0.113948      0.674484      4.002703
  N      -1.493032      0.282165      4.188609
  H      -1.505147      5.141283      5.433506
  H      -1.302365      4.717097      7.138199
  H       0.029549      3.509705      4.694027
  H       0.679980      3.702182      6.338051
  H       0.492155     -0.135221      3.565078
  H      -0.059478      1.540400      3.320751
  H       0.516213      0.177936      6.008270
  H       1.419675      1.559102      5.327252
  H      -1.917696      0.483169      8.747917
  H      -1.088531     -0.431319      7.489156
  H      -1.164867      2.600753      7.927487
  H       0.269565      1.551159      7.926935
  C      -3.618475      3.772153      7.107554
  C      -4.307664      5.117483      6.879867
  O      -5.131923      5.092790      5.692489
  C      -4.665333      5.744116      4.607089
  O      -3.561197      6.253806      4.524397
  C      -5.706941      5.811561      3.514860
  N      -6.965118      5.691381      3.913868
  C      -7.928205      5.851288      2.975007
  N      -7.757832      6.112981      1.693700
  C      -6.468986      6.204828      1.257525
  C      -6.235038      6.438542     -0.119625
  C      -4.945993      6.498731     -0.597423
  C      -3.847824      6.338580      0.278046
  C      -4.039162      6.130595      1.626873
  C      -5.355565      6.056630      2.152795
  C      -1.751650     -1.132437      4.353247
  C      -3.097960     -1.588110      3.712816
  O      -3.629683     -0.633053      2.740121
  C      -4.192910      0.456583      3.232275
  O      -4.324411      0.626234      4.483873
  C      -4.823304      1.363774      2.235516
  N      -5.937619      1.924988      2.694435
  C      -6.640227      2.682344      1.821684
  N      -6.318010      2.956920      0.569592
  C      -5.143840      2.442794      0.108069
  C      -4.728693      2.762773     -1.206794
  C      -3.539181      2.265103     -1.692724
  C      -2.721169      1.434438     -0.888632
  C      -3.098465      1.098219      0.394451
  C      -4.320474      1.589638      0.921986
  C      -3.806959     -0.400114      7.164062
  C      -4.744458      0.040075      8.288682
  O      -5.516195      1.206833      7.919135
  C      -6.640789      0.986293      7.199179
  O      -6.995054     -0.110608      6.810624
  C      -7.410821      2.267831      6.982706
  N      -7.197478      3.227354      7.871469
  C      -7.959951      4.344823      7.764726
  N      -8.899549      4.589490      6.874341
  C      -9.104552      3.630817      5.931291
  C     -10.085255      3.859653      4.935043
  C     -10.292172      2.924249      3.945271
  C      -9.535993      1.726913      3.918555
  C      -8.587007      1.464830      4.885268
  C      -8.354209      2.405690      5.921766
  H      -3.158229      3.812269      8.118830
  H      -4.382833      2.986240      7.128100
  H      -3.586587      5.943506      6.804316
  H      -4.999105      5.300528      7.716367
  H      -8.957827      5.748523      3.330565
  H      -7.100674      6.548450     -0.771263
  H      -4.766560      6.667507     -1.660563
  H      -2.833890      6.383872     -0.121354
  H      -3.189784      6.025715      2.295188
  H      -1.793302     -1.439945      5.415791
  H      -0.926717     -1.697743      3.887757
  H      -3.868249     -1.761758      4.472052
  H      -2.954444     -2.495038      3.117556
  H      -7.576973      3.098009      2.203909
  H      -5.371482      3.413428     -1.799435
  H      -3.217247      2.512023     -2.704556
  H      -1.780205      1.057370     -1.292162
  H      -2.459280      0.463981      1.005869
  H      -4.427243     -0.633089      6.292645
  H      -3.320587     -1.337868      7.494882
  H      -5.429194     -0.784175      8.535428
  H      -4.196733      0.349980      9.187675
  H      -7.777721      5.117000      8.514738
  H     -10.646758      4.793545      4.978766
  H     -11.041478      3.104422      3.171521
  H      -9.708636      1.002024      3.118793
  H      -8.013245      0.542142      4.859542
  N      -2.314688      2.777782      3.566314
  N      -2.190836      3.459313      2.573943
  H      -1.261743      3.430795      2.101322
98
Coordinates from ORCA-job orca E -6706.370608519047
  N      -2.621074      3.464478      6.108494
  Mo     -2.609890      1.716306      5.137632
  N      -2.796997      0.585212      6.804246
  C      -1.629537      0.509839      7.677907
  C      -0.717298      1.706296      7.469806
  N      -0.559998      1.990588      6.010099
  C      -0.216044      3.419648      5.766142
  C      -1.422817      4.288937      6.144452
  C       0.431160      1.073993      5.373472
  C      -0.116007      0.687011      3.997812
  N      -1.494535      0.290256      4.181194
  H      -1.504214      5.146892      5.454772
  H      -1.301100      4.708686      7.159024
  H       0.023121      3.512416      4.698915
  H       0.683021      3.699461      6.340676
  H       0.491905     -0.117247      3.551596
  H      -0.064110      1.559458      3.323907
  H       0.513323      0.175847      6.000357
  H       1.418292      1.559228      5.328491
  H      -1.913577      0.471889      8.745577
  H      -1.084419     -0.438947      7.483007
  H      -1.162884      2.593301      7.933296
  H       0.272755      1.545538      7.925812
  C      -3.624016      3.770297      7.110692
  C      -4.316049      5.113676      6.882163
  O      -5.138475      5.091326      5.694275
  C      -4.671066      5.749283      4.613678
  O      -3.567593      6.259760      4.536238
  C      -5.713705      5.829663      3.522268
  N      -6.974766      5.722537      3.920152
  C      -7.936963      5.893490      2.980391
  N      -7.763775      6.152401      1.698545
  C      -6.473052      6.232119      1.263462
  C      -6.236196      6.461444     -0.113874
  C      -4.946123      6.508649     -0.589873
  C      -3.849050      6.338823      0.287936
  C      -4.043225      6.135324      1.636624
  C      -5.360733      6.073548      2.160651
  C      -1.746184     -1.127413      4.321285
  C      -3.116127     -1.565019      3.733838
  O      -3.644328     -0.618038      2.752405
  C      -4.195880      0.480363      3.234671
  O      -4.334300      0.654383      4.484246
  C      -4.812407      1.389601      2.231788
  N      -5.916957      1.973693      2.686924
  C      -6.613623      2.725458      1.805103
  N      -6.295717      2.972189      0.545309
  C      -5.129443      2.437771      0.087643
  C      -4.717341      2.727852     -1.236787
  C      -3.535575      2.207710     -1.719221
  C      -2.720683      1.386594     -0.901421
  C      -3.094281      1.080681      0.391483
  C      -4.310963      1.591706      0.913785
  C      -3.806256     -0.400253      7.164070
  C      -4.736028      0.040694      8.295177
  O      -5.513200      1.204424      7.926681
  C      -6.641462      0.978000      7.214012
  O      -6.995863     -0.122336      6.834214
  C      -7.413444      2.257065      6.991068
  N      -7.204311      3.222036      7.878723
  C      -7.964530      4.340299      7.762587
  N      -8.897672      4.581566      6.862803
  C      -9.098899      3.617599      5.921195
  C     -10.074722      3.843283      4.918770
  C     -10.286075      2.899681      3.940183
  C      -9.538484      1.696518      3.929714
  C      -8.591894      1.438378      4.899336
  C      -8.353973      2.388377      5.925230
  H      -3.170006      3.809547      8.124341
  H      -4.387601      2.982743      7.124862
  H      -3.596449      5.940539      6.810139
  H      -5.012047      5.294235      7.714119
  H      -8.968392      5.803821      3.336407
  H      -7.101409      6.578578     -0.766922
  H      -4.764535      6.673656     -1.652678
  H      -2.834837      6.371281     -0.110496
  H      -3.194176      6.020703      2.305549
  H      -1.739524     -1.470660      5.372574
  H      -0.943268     -1.675952      3.800747
  H      -3.870034     -1.695951      4.513279
  H      -3.010174     -2.491113      3.164092
  H      -7.542736      3.159789      2.185305
  H      -5.355544      3.375043     -1.838781
  H      -3.216777      2.429857     -2.739423
  H      -1.785538      0.991811     -1.302818
  H      -2.458190      0.452536      1.012904
  H      -4.434505     -0.625510      6.296116
  H      -3.322759     -1.341960      7.487795
  H      -5.417924     -0.784113      8.549000
  H      -4.183382      0.355152      9.190264
  H      -7.788536      5.116099      8.516806
  H     -10.632025      4.780379      4.953788
  H     -11.033600      3.076353      3.165005
  H      -9.718116      0.963585      3.142672
  H      -8.027251      0.510079      4.887273
  N      -2.314883      2.784476      3.571231
  N      -2.188419      3.468441      2.581004
  H      -1.265007      3.425418      2.098061
98
Coordinates from ORCA-job orca E -6706.371129511051
  N      -2.621787      3.467947      6.122461
  Mo     -2.618952      1.720991      5.147109
  N      -2.793634      0.580994      6.808697
  C      -1.620787      0.499272      7.674303
  C      -0.711021      1.697910      7.470019
  N      -0.562943      1.992278      6.011977
  C      -0.220288      3.422535      5.776917
  C      -1.423741      4.290039      6.163239
  C       0.423758      1.080451      5.361892
  C      -0.129409      0.708874      3.985418
  N      -1.506089      0.305285      4.171521
  H      -1.504685      5.152062      5.480573
  H      -1.300238      4.702330      7.180512
  H       0.015875      3.523608      4.712769
  H       0.677676      3.696810      6.351284
  H       0.478024     -0.087901      3.526323
  H      -0.082784      1.588819      3.321751
  H       0.506114      0.176142      5.978670
  H       1.412029      1.563311      5.317752
  H      -1.899983      0.454269      8.742797
  H      -1.076959     -0.447865      7.469197
  H      -1.155177      2.580893      7.943049
  H       0.281936      1.534174      7.917969
  C      -3.629052      3.774270      7.117889
  C      -4.315860      5.118629      6.889081
  O      -5.134092      5.097838      5.698902
  C      -4.663392      5.759923      4.621511
  O      -3.560874      6.278296      4.551274
  C      -5.705180      5.845390      3.529630
  N      -6.967929      5.752067      3.927062
  C      -7.928469      5.930994      2.986030
  N      -7.752420      6.181123      1.702212
  C      -6.460810      6.245385      1.266939
  C      -6.220750      6.464375     -0.112265
  C      -4.929700      6.497316     -0.588004
  C      -3.834653      6.322563      0.293528
  C      -4.032444      6.127931      1.643731
  C      -5.350563      6.080616      2.166766
  C      -1.749181     -1.116687      4.290323
  C      -3.147894     -1.543335      3.764619
  O      -3.682084     -0.609991      2.773524
  C      -4.218893      0.500472      3.249129
  O      -4.357775      0.682212      4.498768
  C      -4.826825      1.410922      2.242515
  N      -5.923068      2.011300      2.695603
  C      -6.617375      2.759592      1.809412
  N      -6.304458      2.989406      0.545694
  C      -5.145052      2.441229      0.089249
  C      -4.735751      2.716146     -1.239351
  C      -3.560397      2.182995     -1.720206
  C      -2.748946      1.363753     -0.897447
  C      -3.119108      1.073430      0.398955
  C      -4.329578      1.597806      0.920466
  C      -3.803534     -0.401281      7.172519
  C      -4.725046      0.042601      8.308685
  O      -5.505191      1.202599      7.934952
  C      -6.633096      0.966056      7.222917
  O      -6.989114     -0.140739      6.855484
  C      -7.402947      2.242891      6.982368
  N      -7.203297      3.214216      7.865810
  C      -7.964536      4.330381      7.737523
  N      -8.891181      4.563821      6.829676
  C      -9.082189      3.593817      5.891826
  C     -10.049561      3.811699      4.880952
  C     -10.249168      2.861911      3.904776
  C      -9.499014      1.659255      3.906742
  C      -8.562139      1.407958      4.886238
  C      -8.334892      2.365365      5.908716
  H      -3.180416      3.809773      8.133824
  H      -4.394183      2.988448      7.126916
  H      -3.594024      5.941427      6.820071
  H      -5.013352      5.300648      7.716072
  H      -8.959362      5.853101      3.342953
  H      -7.084902      6.585209     -0.767121
  H      -4.745185      6.655076     -1.651647
  H      -2.819959      6.342966     -0.104047
  H      -3.185669      6.006859      2.314797
  H      -1.685013     -1.493216      5.331904
  H      -0.973770     -1.646569      3.711100
  H      -3.880988     -1.633661      4.572699
  H      -3.082168     -2.490954      3.219806
  H      -7.540871      3.204341      2.188281
  H      -5.370686      3.363604     -1.844605
  H      -3.243706      2.393900     -2.742820
  H      -1.818490      0.958610     -1.297801
  H      -2.484884      0.447810      1.024358
  H      -4.438858     -0.621725      6.308028
  H      -3.322624     -1.346560      7.491699
  H      -5.403952     -0.781597      8.572423
  H      -4.167058      0.364528      9.198475
  H      -7.792820      5.111794      8.486051
  H     -10.610346      4.747514      4.907941
  H     -10.989531      3.032238      3.123057
  H      -9.670046      0.920791      3.122299
  H      -7.996738      0.478906      4.884592
  N      -2.335818      2.794929      3.582220
  N      -2.212842      3.482102      2.594164
  H      -1.295172      3.433115      2.100431
98
Coordinates from ORCA-job orca E -6706.370490362219
  N      -2.614188      3.473181      6.129318
  Mo     -2.631190      1.726650      5.154543
  N      -2.783911      0.588121      6.824792
  C      -1.602581      0.506660      7.682246
  C      -0.690538      1.703650      7.466716
  N      -0.557524      1.994661      6.004557
  C      -0.208585      3.423052      5.759156
  C      -1.415699      4.291764      6.170151
  C       0.417820      1.078593      5.343653
  C      -0.150605      0.712890      3.968126
  N      -1.528169      0.311947      4.164714
  H      -1.506608      5.165851      5.494016
  H      -1.286290      4.692347      7.198810
  H       0.011524      3.522367      4.673244
  H       0.714688      3.699154      6.325286
  H       0.450880     -0.083767      3.498587
  H      -0.107722      1.595448      3.306016
  H       0.499555      0.171850      5.959297
  H       1.411014      1.554903      5.292692
  H      -1.873119      0.464975      8.754867
  H      -1.063291     -0.442663      7.475584
  H      -1.127519      2.587585      7.944506
  H       0.307932      1.538837      7.905712
  C      -3.622511      3.776912      7.125238
  C      -4.303206      5.130109      6.909275
  O      -5.118358      5.132095      5.715643
  C      -4.646714      5.818294      4.644780
  O      -3.545206      6.335476      4.580293
  C      -5.685229      5.920509      3.551659
  N      -6.951849      5.842980      3.946600
  C      -7.906620      6.028034      3.000001
  N      -7.720230      6.265378      1.712325
  C      -6.424617      6.315004      1.281011
  C      -6.173237      6.519209     -0.100936
  C      -4.875507      6.534249     -0.574840
  C      -3.785535      6.356695      0.313349
  C      -3.994750      6.175874      1.666980
  C      -5.320132      6.146115      2.187185
  C      -1.769082     -1.112189      4.262185
  C      -3.193839     -1.524730      3.795281
  O      -3.737887     -0.602131      2.798188
  C      -4.256524      0.518410      3.270232
  O      -4.387074      0.709779      4.523926
  C      -4.857049      1.430968      2.261693
  N      -5.939205      2.058249      2.721902
  C      -6.629766      2.807504      1.835731
  N      -6.325706      3.012823      0.564101
  C      -5.179048      2.439111      0.099446
  C      -4.776489      2.690976     -1.236155
  C      -3.613727      2.131647     -1.723805
  C      -2.806896      1.311085     -0.900346
  C      -3.168964      1.045730      0.404315
  C      -4.368149      1.594985      0.932064
  C      -3.790952     -0.396057      7.201853
  C      -4.708948      0.049744      8.340138
  O      -5.503165      1.200984      7.958638
  C      -6.622921      0.944847      7.245129
  O      -6.960020     -0.168827      6.890109
  C      -7.405853      2.209870      6.976344
  N      -7.219249      3.203533      7.837319
  C      -7.987931      4.314906      7.669699
  N      -8.907374      4.523934      6.738608
  C      -9.084734      3.528606      5.824428
  C     -10.042629      3.718628      4.785665
  C     -10.228261      2.740575      3.833236
  C      -9.474042      1.536733      3.886613
  C      -8.544497      1.313363      4.889582
  C      -8.330774      2.300738      5.887191
  H      -3.176600      3.799333      8.144571
  H      -4.389592      2.993762      7.125259
  H      -3.579278      5.952772      6.848594
  H      -5.000351      5.303484      7.741040
  H      -8.941663      5.967084      3.356078
  H      -7.032882      6.640515     -0.761784
  H      -4.680701      6.676238     -1.643549
  H      -2.765024      6.359993     -0.084189
  H      -3.151786      6.048813      2.343713
  H      -1.652718     -1.518176      5.292585
  H      -1.020561     -1.628154      3.628212
  H      -3.904197     -1.576294      4.632080
  H      -3.167355     -2.489507      3.274055
  H      -7.541280      3.278846      2.224118
  H      -5.405028      3.343559     -1.840485
  H      -3.302484      2.324771     -2.751259
  H      -1.885943      0.886245     -1.305818
  H      -2.537817      0.420760      1.031949
  H      -4.435360     -0.620061      6.342777
  H      -3.306334     -1.341513      7.521472
  H      -5.379542     -0.778896      8.614197
  H      -4.148526      0.384866      9.223820
  H      -7.824888      5.116231      8.390591
  H     -10.607446      4.655705      4.771590
  H     -10.960867      2.889548      3.027890
  H      -9.635864      0.775230      3.122707
  H      -7.976610      0.382880      4.927135
  N      -2.368537      2.799136      3.584245
  N      -2.240535      3.485416      2.597433
  H      -1.325619      3.421786      2.099547
98
Coordinates from ORCA-job orca E -6706.367846360075
  N      -2.606052      3.482601      6.147519
  Mo     -2.639206      1.734982      5.165752
  N      -2.791968      0.594714      6.829747
  C      -1.606378      0.505385      7.679629
  C      -0.693865      1.701900      7.461407
  N      -0.571396      1.992346      6.002472
  C      -0.215230      3.418723      5.756818
  C      -1.399679      4.288508      6.185207
  C       0.393751      1.070504      5.340730
  C      -0.175636      0.712563      3.968754
  N      -1.553073      0.319311      4.165074
  H      -1.485257      5.164471      5.528567
  H      -1.252822      4.671866      7.203673
  H      -0.010457      3.521442      4.683323
  H       0.705468      3.688855      6.307064
  H       0.417798     -0.086083      3.495926
  H      -0.125652      1.596340      3.310150
  H       0.465682      0.161798      5.953199
  H       1.389493      1.538319      5.293370
  H      -1.871616      0.462005      8.752111
  H      -1.071584     -0.444550      7.466519
  H      -1.124355      2.586603      7.940999
  H       0.305640      1.534993      7.889686
  C      -3.612617      3.792255      7.145059
  C      -4.267458      5.159093      6.944044
  O      -5.067626      5.183873      5.738750
  C      -4.591313      5.853473      4.666829
  O      -3.492827      6.357635      4.605969
  C      -5.634938      5.946163      3.580323
  N      -6.888487      5.862634      3.985139
  C      -7.848139      6.029111      3.046489
  N      -7.677894      6.248251      1.754046
  C      -6.399504      6.308919      1.313824
  C      -6.174612      6.508763     -0.064438
  C      -4.895036      6.540801     -0.550708
  C      -3.796456      6.379421      0.323137
  C      -3.980212      6.198644      1.673214
  C      -5.289043      6.159321      2.209100
  C      -1.805392     -1.104035      4.223329
  C      -3.204889     -1.495729      3.800472
  O      -3.781941     -0.581230      2.818641
  C      -4.282178      0.544749      3.283726
  O      -4.406862      0.748469      4.536805
  C      -4.871057      1.460791      2.269847
  N      -5.944098      2.104408      2.721704
  C      -6.629620      2.848807      1.826082
  N      -6.325862      3.038866      0.554123
  C      -5.186086      2.450925      0.097408
  C      -4.784669      2.682102     -1.243891
  C      -3.632745      2.098903     -1.728963
  C      -2.833611      1.278384     -0.895906
  C      -3.192535      1.036466      0.414361
  C      -4.383575      1.606293      0.937716
  C      -3.804080     -0.378866      7.209177
  C      -4.713120      0.072190      8.351720
  O      -5.505321      1.220284      7.967213
  C      -6.609945      0.955621      7.242657
  O      -6.931281     -0.162125      6.890885
  C      -7.398336      2.211155      6.950011
  N      -7.230255      3.222786      7.783235
  C      -8.006194      4.323955      7.587492
  N      -8.920516      4.503711      6.654071
  C      -9.079523      3.489487      5.769788
  C     -10.031236      3.646261      4.723260
  C     -10.201045      2.647047      3.799116
  C      -9.436442      1.456080      3.890418
  C      -8.511217      1.264104      4.896746
  C      -8.313419      2.272097      5.863161
  H      -3.172986      3.796791      8.170250
  H      -4.390589      3.021753      7.130806
  H      -3.531635      5.974120      6.900982
  H      -4.969981      5.327746      7.774565
  H      -8.866974      5.963216      3.413340
  H      -7.040093      6.614048     -0.714531
  H      -4.720240      6.679995     -1.617205
  H      -2.789720      6.393401     -0.084301
  H      -3.133164      6.081759      2.340721
  H      -1.660820     -1.540347      5.208180
  H      -1.106593     -1.608044      3.557207
  H      -3.868853     -1.544056      4.630588
  H      -3.188430     -2.437367      3.307055
  H      -7.538136      3.326849      2.204803
  H      -5.407383      3.335284     -1.856043
  H      -3.323927      2.273500     -2.761906
  H      -1.921531      0.833649     -1.299960
  H      -2.567580      0.410299      1.047928
  H      -4.457536     -0.591621      6.355769
  H      -3.328517     -1.331371      7.518863
  H      -5.383035     -0.749222      8.632867
  H      -4.151152      0.409828      9.228496
  H      -7.845982      5.142442      8.265427
  H     -10.604561      4.574575      4.676581
  H     -10.928582      2.770031      2.982493
  H      -9.588838      0.677552      3.151882
  H      -7.938824      0.340279      4.963266
  N      -2.389606      2.796008      3.591835
  N      -2.285499      3.487582      2.606747
  H      -1.383596      3.426563      2.087457
98
Coordinates from ORCA-job orca E -6706.367685505974
  N      -2.607529      3.480343      6.134745
  Mo     -2.619768      1.729697      5.157066
  N      -2.795072      0.582978      6.807421
  C      -1.620476      0.492596      7.667091
  C      -0.715132      1.693686      7.464446
  N      -0.576789      1.991804      6.010111
  C      -0.229918      3.421396      5.782453
  C      -1.401674      4.292306      6.188674
  C       0.402742      1.075504      5.358625
  C      -0.143397      0.721044      3.983117
  N      -1.518980      0.320402      4.167214
  H      -1.470257      5.170978      5.534436
  H      -1.262504      4.676119      7.206594
  H      -0.010991      3.531168      4.744935
  H       0.652581      3.680666      6.336889
  H       0.459712     -0.073746      3.516907
  H      -0.091548      1.607142      3.327681
  H       0.471522      0.165888      5.967009
  H       1.392999      1.546839      5.324686
  H      -1.897998      0.443121      8.733269
  H      -1.077268     -0.453532      7.454302
  H      -1.157583      2.574916      7.941220
  H       0.278188      1.529258      7.902866
  C      -3.625838      3.791155      7.118395
  C      -4.296499      5.145711      6.894433
  O      -5.102750      5.136517      5.697078
  C      -4.630646      5.788854      4.626155
  O      -3.530296      6.302128      4.565843
  C      -5.679486      5.885454      3.544602
  N      -6.934951      5.810291      3.956896
  C      -7.904646      5.999743      3.034402
  N      -7.746127      6.238850      1.754869
  C      -6.463008      6.284958      1.302163
  C      -6.241906      6.496512     -0.074742
  C      -4.963641      6.521175     -0.567357
  C      -3.862901      6.342921      0.297692
  C      -4.042236      6.150752      1.644404
  C      -5.344811      6.112561      2.182383
  C      -1.762286     -1.106359      4.239416
  C      -3.196866     -1.511003      3.814276
  O      -3.736385     -0.595633      2.813890
  C      -4.241609      0.539186      3.270045
  O      -4.384208      0.736813      4.507768
  C      -4.821274      1.451922      2.248553
  N      -5.897483      2.094122      2.683823
  C      -6.574549      2.837611      1.778159
  N      -6.260922      3.024825      0.508377
  C      -5.116873      2.436852      0.068447
  C      -4.705705      2.663787     -1.271547
  C      -3.547020      2.088034     -1.738878
  C      -2.752095      1.275834     -0.889019
  C      -3.123944      1.033004      0.416665
  C      -4.320698      1.596515      0.922680
  C      -3.807777     -0.390729      7.172042
  C      -4.718538      0.057047      8.313306
  O      -5.507543      1.206094      7.932722
  C      -6.628298      0.948471      7.215628
  O      -6.978901     -0.168616      6.861879
  C      -7.402513      2.216535      6.952253
  N      -7.218314      3.194963      7.828650
  C      -7.978146      4.301816      7.694765
  N      -8.897154      4.516205      6.795233
  C      -9.070549      3.540376      5.860531
  C     -10.028373      3.740658      4.858817
  C     -10.221186      2.783234      3.890805
  C      -9.473658      1.591354      3.895451
  C      -8.543790      1.356119      4.866060
  C      -8.322856      2.321317      5.880519
  H      -3.192114      3.814609      8.141534
  H      -4.399555      3.010110      7.111847
  H      -3.563457      5.966414      6.840278
  H      -5.004791      5.324422      7.716861
  H      -8.931566      5.951122      3.414990
  H      -7.112025      6.620207     -0.714766
  H      -4.794453      6.675129     -1.626936
  H      -2.859182      6.356615     -0.109886
  H      -3.195796      6.025451      2.304748
  H      -1.612014     -1.537954      5.254977
  H      -1.043174     -1.610345      3.567163
  H      -3.899454     -1.534425      4.673428
  H      -3.201353     -2.504148      3.306823
  H      -7.484542      3.314309      2.144193
  H      -5.328814      3.306900     -1.897629
  H      -3.230249      2.260208     -2.770821
  H      -1.833614      0.836341     -1.277729
  H      -2.502532      0.410781      1.060811
  H      -4.449703     -0.602236      6.313487
  H      -3.334764     -1.340813      7.482287
  H      -5.389104     -0.764650      8.594713
  H      -4.153106      0.391785      9.191211
  H      -7.819865      5.089233      8.456783
  H     -10.589559      4.667209      4.881006
  H     -10.955520      2.940254      3.117553
  H      -9.642274      0.845581      3.114989
  H      -7.984881      0.432088      4.870928
  N      -2.342456      2.794791      3.583609
  N      -2.239597      3.492717      2.599400
  H      -1.336067      3.442935      2.080898
98
Coordinates from ORCA-job orca E -6706.367473818610
  N      -2.604715      3.477649      6.125894
  Mo     -2.625106      1.724531      5.162593
  N      -2.778491      0.592919      6.838258
  C      -1.593536      0.505019      7.690553
  C      -0.679340      1.697625      7.469680
  N      -0.552779      1.990163      6.003370
  C      -0.201908      3.419772      5.756095
  C      -1.405321      4.295458      6.164012
  C       0.420909      1.068895      5.341720
  C      -0.146071      0.708992      3.966406
  N      -1.524513      0.310190      4.165645
  H      -1.492473      5.167583      5.485925
  H      -1.271896      4.700114      7.190976
  H       0.016618      3.519759      4.667238
  H       0.722368      3.687151      6.322935
  H       0.453797     -0.088903      3.496915
  H      -0.100542      1.591455      3.302654
  H       0.495623      0.160011      5.956158
  H       1.416713      1.538209      5.294162
  H      -1.860866      0.465679      8.763600
  H      -1.058927     -0.446095      7.481550
  H      -1.114581      2.580785      7.951512
  H       0.323848      1.530167      7.902455
  C      -3.614231      3.781082      7.116467
  C      -4.310940      5.123094      6.887096
  O      -5.134041      5.100183      5.705530
  C      -4.651953      5.781942      4.643675
  O      -3.543294      6.317411      4.593037
  C      -5.682369      5.889276      3.543780
  N      -6.956727      5.811098      3.937319
  C      -7.912482      6.014067      2.992263
  N      -7.720453      6.263646      1.708034
  C      -6.412475      6.313425      1.275646
  C      -6.145411      6.534331     -0.109235
  C      -4.838724      6.565770     -0.576670
  C      -3.753294      6.383394      0.319284
  C      -3.977483      6.181614      1.673754
  C      -5.310148      6.134217      2.184541
  C      -1.766058     -1.115347      4.230624
  C      -3.210144     -1.520588      3.804413
  O      -3.781710     -0.610530      2.810986
  C      -4.276809      0.524676      3.280835
  O      -4.398275      0.732679      4.533921
  C      -4.868894      1.438215      2.265747
  N      -5.939714      2.079028      2.724635
  C      -6.629659      2.833073      1.841838
  N      -6.331654      3.036914      0.577001
  C      -5.193475      2.451663      0.111931
  C      -4.792734      2.713286     -1.209018
  C      -3.639615      2.144559     -1.698646
  C      -2.840076      1.304269     -0.891708
  C      -3.198036      1.033652      0.401439
  C      -4.387245      1.593909      0.934548
  C      -3.794099     -0.375554      7.227663
  C      -4.696520      0.087393      8.369954
  O      -5.502658      1.228926      7.978292
  C      -6.621351      0.952347      7.264137
  O      -6.954065     -0.168904      6.924191
  C      -7.408717      2.209345      6.974487
  N      -7.225892      3.212222      7.839614
  C      -7.991903      4.319270      7.662122
  N      -8.909184      4.513443      6.721337
  C      -9.083307      3.509027      5.801392
  C     -10.042368      3.685930      4.770028
  C     -10.232652      2.696406      3.810392
  C      -9.478751      1.495021      3.846820
  C      -8.548503      1.284397      4.855825
  C      -8.331719      2.284083      5.867684
  H      -3.166536      3.814277      8.129164
  H      -4.377789      2.992635      7.127409
  H      -3.590657      5.947181      6.816098
  H      -5.011711      5.303467      7.711484
  H      -8.951042      5.953904      3.346280
  H      -7.003919      6.662649     -0.774576
  H      -4.634791      6.726727     -1.641919
  H      -2.728959      6.402801     -0.069936
  H      -3.141620      6.051238      2.359826
  H      -1.605503     -1.561294      5.253000
  H      -1.036860     -1.608216      3.549387
  H      -3.895595     -1.566965      4.657518
  H      -3.201700     -2.486250      3.291158
  H      -7.535001      3.308599      2.225660
  H      -5.414557      3.384363     -1.797859
  H      -3.328982      2.346580     -2.713022
  H      -1.925369      0.872866     -1.297725
  H      -2.568419      0.400668      1.020516
  H      -4.447172     -0.595480      6.376298
  H      -3.321969     -1.323899      7.547267
  H      -5.360540     -0.740658      8.671012
  H      -4.122256      0.442101      9.239924
  H      -7.838958      5.129965      8.406446
  H     -10.609485      4.620057      4.768388
  H     -10.968446      2.835084      3.022070
  H      -9.644694      0.722899      3.071997
  H      -7.985842      0.353498      4.893305
  N      -2.368586      2.797909      3.590970
  N      -2.247633      3.489256      2.604498
  H      -1.338384      3.422702      2.095082
98
Coordinates from ORCA-job orca E -6706.368128874258
  N      -2.607680      3.476221      6.151624
  Mo     -2.636315      1.731978      5.171341
  N      -2.778644      0.588211      6.836868
  C      -1.587327      0.498641      7.680065
  C      -0.673654      1.694505      7.459885
  N      -0.555676      1.993296      5.996508
  C      -0.206437      3.422645      5.756427
  C      -1.406970      4.290055      6.194428
  C       0.413156      1.078929      5.322309
  C      -0.167196      0.723710      3.950610
  N      -1.545133      0.322683      4.158964
  H      -1.501510      5.174025      5.539628
  H      -1.262054      4.669357      7.226694
  H      -0.002754      3.528307      4.665935
  H       0.728125      3.692778      6.311657
  H       0.427123     -0.071351      3.472474
  H      -0.125729      1.608152      3.292864
  H       0.494454      0.168127      5.930713
  H       1.409898      1.552827      5.267372
  H      -1.846739      0.451792      8.755216
  H      -1.052517     -0.449016      7.461181
  H      -1.103417      2.576787      7.948526
  H       0.330072      1.524374      7.885622
  C      -3.609837      3.782308      7.151386
  C      -4.265644      5.143332      6.947682
  O      -5.072640      5.168034      5.748299
  C      -4.600851      5.858341      4.676521
  O      -3.499236      6.365044      4.610992
  C      -5.646178      5.966695      3.586140
  N      -6.908612      5.900086      3.980901
  C      -7.865717      6.083052      3.029735
  N      -7.684274      6.302822      1.737245
  C      -6.394451      6.344174      1.309320
  C      -6.149956      6.534061     -0.075062
  C      -4.855965      6.541572     -0.544832
  C      -3.763237      6.369552      0.348341
  C      -3.965610      6.200273      1.703552
  C      -5.287543      6.179899      2.220652
  C      -1.788355     -1.102947      4.225886
  C      -3.238467     -1.497563      3.816513
  O      -3.794989     -0.578928      2.825144
  C      -4.293019      0.548242      3.302496
  O      -4.412898      0.738821      4.552853
  C      -4.885392      1.470990      2.301676
  N      -5.952014      2.116285      2.769355
  C      -6.641073      2.867485      1.880652
  N      -6.350469      3.051434      0.596440
  C      -5.215286      2.460604      0.126478
  C      -4.831672      2.677291     -1.233197
  C      -3.686427      2.090520     -1.734379
  C      -2.876775      1.279828     -0.898508
  C      -3.221807      1.046864      0.428495
  C      -4.406656      1.616812      0.964752
  C      -3.792502     -0.384782      7.223554
  C      -4.701419      0.075123      8.365561
  O      -5.503916      1.218567      7.966875
  C      -6.616087      0.940179      7.248816
  O      -6.943645     -0.185447      6.914922
  C      -7.402315      2.196546      6.931435
  N      -7.225878      3.218025      7.739677
  C      -7.998541      4.322247      7.511323
  N      -8.911702      4.499678      6.568383
  C      -9.078003      3.474011      5.709859
  C     -10.026019      3.626621      4.654554
  C     -10.196119      2.615206      3.757317
  C      -9.434127      1.415398      3.878820
  C      -8.514443      1.229442      4.897805
  C      -8.317494      2.250561      5.839451
  H      -3.162486      3.790369      8.170258
  H      -4.386205      3.014316      7.145513
  H      -3.533216      5.952452      6.900170
  H      -4.955435      5.313696      7.780396
  H      -8.895667      6.034199      3.383820
  H      -7.011116      6.651233     -0.740287
  H      -4.666222      6.669261     -1.616504
  H      -2.743810      6.368120     -0.045495
  H      -3.124054      6.079345      2.387075
  H      -1.622200     -1.542596      5.238039
  H      -1.071827     -1.600031      3.540246
  H      -3.927678     -1.519847      4.680245
  H      -3.248017     -2.479602      3.311427
  H      -7.542145      3.352738      2.271079
  H      -5.463311      3.320814     -1.847824
  H      -3.392284      2.251104     -2.785434
  H      -1.969021      0.833347     -1.313668
  H      -2.590301      0.424797      1.061690
  H      -4.445136     -0.603278      6.367896
  H      -3.315637     -1.335843      7.539770
  H      -5.365815     -0.752091      8.658788
  H      -4.134473      0.426915      9.240230
  H      -7.841101      5.148472      8.182475
  H     -10.597313      4.561887      4.588454
  H     -10.919824      2.734924      2.936070
  H      -9.582352      0.627619      3.159542
  H      -7.939456      0.300549      4.988272
  N      -2.391709      2.810464      3.600929
  N      -2.278643      3.506486      2.619649
  H      -1.373327      3.439944      2.103429
98
Coordinates from ORCA-job orca E -6706.368171923483
  N      -2.594127      3.485445      6.129197
  Mo     -2.620903      1.732803      5.157237
  N      -2.793574      0.589987      6.811745
  C      -1.614353      0.498743      7.666648
  C      -0.704103      1.695973      7.459692
  N      -0.567548      1.992164      6.005516
  C      -0.210524      3.417834      5.774394
  C      -1.388280      4.293095      6.183390
  C       0.403779      1.070597      5.352230
  C      -0.151041      0.713836      3.976524
  N      -1.529247      0.321454      4.167821
  H      -1.460726      5.175156      5.524460
  H      -1.249122      4.678107      7.206612
  H       0.010402      3.526283      4.722219
  H       0.685507      3.672987      6.336593
  H       0.445915     -0.087384      3.510369
  H      -0.096959      1.597031      3.315290
  H       0.469286      0.160966      5.964734
  H       1.398673      1.536417      5.314839
  H      -1.887639      0.452079      8.734922
  H      -1.074918     -0.449199      7.452967
  H      -1.139963      2.579287      7.937383
  H       0.287851      1.526122      7.896033
  C      -3.613160      3.786712      7.122418
  C      -4.291396      5.145762      6.906406
  O      -5.097965      5.142718      5.708498
  C      -4.626626      5.811150      4.637455
  O      -3.529506      6.315121      4.570208
  C      -5.674300      5.911563      3.558991
  N      -6.925318      5.843236      3.977308
  C      -7.891892      6.033532      3.054395
  N      -7.733305      6.270150      1.773133
  C      -6.456848      6.313336      1.320477
  C      -6.243747      6.528363     -0.046391
  C      -4.965010      6.549139     -0.543706
  C      -3.855292      6.357942      0.304750
  C      -4.028429      6.160882      1.644365
  C      -5.336984      6.134307      2.192524
  C      -1.782566     -1.106038      4.233865
  C      -3.188411     -1.510572      3.825720
  O      -3.747750     -0.602337      2.826023
  C      -4.255536      0.533251      3.279423
  O      -4.387798      0.741845      4.525959
  C      -4.835294      1.444328      2.257248
  N      -5.900602      2.103834      2.702379
  C      -6.572179      2.857803      1.803951
  N      -6.262714      3.037911      0.529656
  C      -5.128996      2.431916      0.079089
  C      -4.718067      2.661088     -1.258525
  C      -3.565436      2.076522     -1.730282
  C      -2.778023      1.250265     -0.889646
  C      -3.149510      1.005730      0.414247
  C      -4.339095      1.581812      0.928333
  C      -3.809243     -0.379845      7.182750
  C      -4.722707      0.074610      8.317935
  O      -5.516270      1.217252      7.933108
  C      -6.631295      0.958950      7.215155
  O      -6.976078     -0.151430      6.866667
  C      -7.407956      2.217120      6.945136
  N      -7.229376      3.206340      7.812049
  C      -7.995597      4.307453      7.668445
  N      -8.913280      4.508733      6.760103
  C      -9.079796      3.518658      5.828786
  C     -10.033028      3.699218      4.794179
  C     -10.214110      2.725045      3.833909
  C      -9.461697      1.537182      3.882521
  C      -8.536226      1.322480      4.873890
  C      -8.325690      2.303550      5.872072
  H      -3.175733      3.804668      8.146544
  H      -4.384948      3.000878      7.117304
  H      -3.557273      5.967278      6.852414
  H      -5.001883      5.322606      7.733939
  H      -8.916942      5.991292      3.436846
  H      -7.116653      6.657460     -0.677252
  H      -4.799202      6.703531     -1.600716
  H      -2.845373      6.363307     -0.113243
  H      -3.174158      6.020644      2.293839
  H      -1.633673     -1.534359      5.214811
  H      -1.090914     -1.603943      3.570504
  H      -3.863568     -1.542390      4.673005
  H      -3.181194     -2.483658      3.340882
  H      -7.473063      3.355640      2.183909
  H      -5.333871      3.317397     -1.875301
  H      -3.247374      2.254917     -2.756145
  H      -1.863349      0.805282     -1.280177
  H      -2.530962      0.376596      1.053147
  H      -4.448514     -0.596261      6.324274
  H      -3.339957     -1.330295      7.498990
  H      -5.387680     -0.746419      8.608724
  H      -4.158377      0.418981      9.188171
  H      -7.834678      5.100781      8.404177
  H     -10.600340      4.623197      4.788933
  H     -10.944559      2.865354      3.024863
  H      -9.619882      0.780289      3.114730
  H      -7.969313      0.402782      4.900718
  N      -2.357146      2.795193      3.577994
  N      -2.255297      3.486740      2.592324
  H      -1.352375      3.429295      2.073040
98
Coordinates from ORCA-job orca E -6706.368455066043
  N      -2.613772      3.478203      6.144768
  Mo     -2.634956      1.730421      5.169830
  N      -2.791081      0.580510      6.827206
  C      -1.604388      0.488474      7.674948
  C      -0.695675      1.688239      7.465492
  N      -0.569256      1.994587      6.006942
  C      -0.225490      3.425888      5.778052
  C      -1.410869      4.290688      6.190001
  C       0.406104      1.084925      5.335583
  C      -0.158422      0.741496      3.960321
  N      -1.532783      0.331689      4.157915
  H      -1.489656      5.162891      5.533282
  H      -1.269387      4.676489      7.205535
  H      -0.009967      3.536849      4.721541
  H       0.674442      3.689221      6.334297
  H       0.443720     -0.047568      3.481767
  H      -0.116559      1.631804      3.308934
  H       0.484928      0.170055      5.937454
  H       1.398033      1.559320      5.291404
  H      -1.870143      0.437653      8.746727
  H      -1.064964     -0.458010      7.455288
  H      -1.131666      2.567692      7.953018
  H       0.304044      1.518398      7.896222
  C      -3.619570      3.785876      7.136755
  C      -4.279828      5.143915      6.923707
  O      -5.088626      5.150091      5.726801
  C      -4.608460      5.824485      4.664037
  O      -3.500603      6.345897      4.611873
  C      -5.645627      5.926750      3.570147
  N      -6.910585      5.862851      3.977387
  C      -7.867376      6.047461      3.038397
  N      -7.682586      6.261058      1.741874
  C      -6.387857      6.298680      1.296055
  C      -6.136665      6.485041     -0.098917
  C      -4.852156      6.515158     -0.574852
  C      -3.771976      6.362942      0.319881
  C      -3.976644      6.187609      1.680320
  C      -5.287236      6.144302      2.201695
  C      -1.757444     -1.098423      4.202110
  C      -3.202104     -1.482193      3.806548
  O      -3.780880     -0.572486      2.823366
  C      -4.286921      0.546284      3.294160
  O      -4.407918      0.738946      4.541481
  C      -4.877099      1.460498      2.280661
  N      -5.946778      2.105199      2.728867
  C      -6.631179      2.850933      1.830685
  N      -6.333319      3.035952      0.558582
  C      -5.195932      2.445307      0.105307
  C      -4.802809      2.666575     -1.239364
  C      -3.652025      2.087227     -1.721616
  C      -2.847747      1.275224     -0.882717
  C      -3.203586      1.035730      0.427299
  C      -4.391342      1.603842      0.949226
  C      -3.806593     -0.388205      7.211954
  C      -4.705106      0.079839      8.355111
  O      -5.502538      1.222314      7.956842
  C      -6.624000      0.941650      7.246000
  O      -6.968410     -0.189218      6.924866
  C      -7.404832      2.201782      6.941502
  N      -7.227276      3.209136      7.794927
  C      -7.988816      4.315207      7.608194
  N      -8.898170      4.507399      6.673596
  C      -9.068353      3.499827      5.772126
  C     -10.022912      3.673001      4.759654
  C     -10.215548      2.678673      3.819865
  C      -9.465899      1.478633      3.857100
  C      -8.538381      1.272106      4.844272
  C      -8.321271      2.274633      5.842636
  H      -3.176288      3.800313      8.155746
  H      -4.395778      3.011724      7.133275
  H      -3.544223      5.958418      6.874906
  H      -4.976793      5.317901      7.751144
  H      -8.896962      6.000037      3.405793
  H      -6.992268      6.592804     -0.760701
  H      -4.663066      6.655527     -1.644630
  H      -2.768168      6.390042     -0.070151
  H      -3.144389      6.080661      2.362992
  H      -1.564032     -1.574948      5.215094
  H      -1.035520     -1.573159      3.478569
  H      -3.862288     -1.519265      4.653017
  H      -3.203358     -2.432118      3.308803
  H      -7.534216      3.332684      2.204649
  H      -5.433452      3.305959     -1.859289
  H      -3.349771      2.254643     -2.757980
  H      -1.935162      0.832530     -1.283777
  H      -2.575721      0.414140      1.063180
  H      -4.459799     -0.605197      6.358274
  H      -3.335901     -1.340377      7.528921
  H      -5.369798     -0.741896      8.660129
  H      -4.128759      0.435338      9.222132
  H      -7.833556      5.126470      8.332173
  H     -10.585244      4.606000      4.751456
  H     -10.950553      2.812738      3.047182
  H      -9.632603      0.702439      3.092818
  H      -7.981879      0.341478      4.884936
  N      -2.386422      2.809747      3.596211
  N      -2.293079      3.511313      2.613630
  H      -1.396173      3.459786      2.083611
98
Coordinates from ORCA-job orca E -6706.368046378771
  N      -2.599648      3.473842      6.130721
  Mo     -2.626647      1.722766      5.164856
  N      -2.777048      0.589418      6.834925
  C      -1.587701      0.498625      7.679704
  C      -0.673816      1.691338      7.458142
  N      -0.552972      1.984282      5.992967
  C      -0.199450      3.413165      5.746491
  C      -1.398793      4.289373      6.176208
  C       0.415098      1.061807      5.327496
  C      -0.158984      0.701821      3.956201
  N      -1.537617      0.308456      4.161182
  H      -1.489246      5.176047      5.513593
  H      -1.256440      4.676714      7.211948
  H       0.006217      3.513912      4.652935
  H       0.736526      3.680014      6.303364
  H       0.433937     -0.098685      3.485252
  H      -0.111841      1.582145      3.293571
  H       0.490123      0.153786      5.940473
  H       1.411601      1.529809      5.275445
  H      -1.849450      0.456659      8.753735
  H      -1.054246     -0.451330      7.464341
  H      -1.103689      2.575465      7.942580
  H       0.330035      1.520665      7.886878
  C      -3.608356      3.779059      7.120430
  C      -4.289276      5.127493      6.900419
  O      -5.105500      5.121928      5.712126
  C      -4.633340      5.802568      4.651012
  O      -3.526786      6.323809      4.593807
  C      -5.676467      5.924611      3.559782
  N      -6.944495      5.855585      3.948277
  C      -7.905947      6.069321      3.005090
  N      -7.727035      6.320828      1.727958
  C      -6.426381      6.361082      1.301133
  C      -6.168827      6.581192     -0.080236
  C      -4.858458      6.590639     -0.549830
  C      -3.764834      6.392317      0.343046
  C      -3.983019      6.194681      1.696372
  C      -5.315532      6.166848      2.206590
  C      -1.786596     -1.115989      4.224483
  C      -3.243536     -1.517255      3.834278
  O      -3.796251     -0.607146      2.830984
  C      -4.290334      0.531567      3.299464
  O      -4.409665      0.734572      4.549481
  C      -4.876352      1.450254      2.287495
  N      -5.938708      2.102451      2.748311
  C      -6.620988      2.864642      1.866781
  N      -6.325004      3.064050      0.602890
  C      -5.195213      2.465956      0.135931
  C      -4.800286      2.714086     -1.191612
  C      -3.654804      2.131857     -1.688590
  C      -2.858186      1.291135     -0.880212
  C      -3.213768      1.028761      0.417553
  C      -4.395681      1.600464      0.955603
  C      -3.794522     -0.373473      7.232603
  C      -4.692766      0.097877      8.376952
  O      -5.492202      1.238456      7.981242
  C      -6.604628      0.958091      7.266505
  O      -6.928875     -0.166233      6.931297
  C      -7.395069      2.211778      6.953113
  N      -7.223644      3.236740      7.777918
  C      -7.999563      4.339027      7.553648
  N      -8.912818      4.509583      6.600542
  C      -9.075354      3.481503      5.728987
  C     -10.027231      3.630307      4.679584
  C     -10.202868      2.614170      3.767134
  C      -9.438924      1.413830      3.866690
  C      -8.513404      1.232591      4.888947
  C      -8.312831      2.259431      5.849862
  H      -3.162548      3.802936      8.135340
  H      -4.378561      2.999430      7.122813
  H      -3.563628      5.946377      6.840734
  H      -4.987455      5.303135      7.727751
  H      -8.934946      6.016158      3.352077
  H      -7.032072      6.720894     -0.745943
  H      -4.657923      6.745087     -1.616567
  H      -2.735476      6.395276     -0.048605
  H      -3.140134      6.049716      2.378911
  H      -1.608274     -1.556267      5.232268
  H      -1.083457     -1.610534      3.529795
  H      -3.936907     -1.521864      4.715958
  H      -3.266836     -2.526298      3.338421
  H      -7.517968      3.350411      2.249454
  H      -5.422380      3.380761     -1.784996
  H      -3.349837      2.322119     -2.710964
  H      -1.949223      0.848581     -1.291923
  H      -2.588665      0.390634      1.034289
  H      -4.449520     -0.595186      6.382815
  H      -3.324104     -1.321705      7.554545
  H      -5.357335     -0.722790      8.683548
  H      -4.117312      0.453521      9.242905
  H      -7.853910      5.169747      8.253475
  H     -10.601955      4.564073      4.628385
  H     -10.932650      2.731192      2.961531
  H      -9.591341      0.621086      3.131873
  H      -7.938915      0.304003      4.969989
  N      -2.372196      2.797672      3.594510
  N      -2.257274      3.495248      2.613628
  H      -1.352797      3.424602      2.094176
98
Coordinates from ORCA-job orca E -6706.370203342303
  N      -2.602579      3.485850      6.138187
  Mo     -2.627750      1.734746      5.168227
  N      -2.779665      0.589947      6.830213
  C      -1.591241      0.499953      7.676390
  C      -0.682597      1.698756      7.462300
  N      -0.559244      2.001047      6.002119
  C      -0.207332      3.432378      5.767573
  C      -1.401770      4.298507      6.190241
  C       0.412320      1.086588      5.335306
  C      -0.156509      0.733538      3.961264
  N      -1.533607      0.330690      4.162654
  H      -1.485836      5.182802      5.536237
  H      -1.263910      4.677661      7.219308
  H       0.008073      3.545615      4.688563
  H       0.712628      3.695002      6.331495
  H       0.440946     -0.061441      3.486474
  H      -0.112407      1.619697      3.303353
  H       0.486838      0.174391      5.943924
  H       1.407803      1.558853      5.290236
  H      -1.854178      0.449809      8.748521
  H      -1.052881     -0.445805      7.457121
  H      -1.116941      2.578458      7.948152
  H       0.317987      1.530224      7.890591
  C      -3.613678      3.783979      7.136305
  C      -4.276840      5.148504      6.937769
  O      -5.084811      5.171138      5.741054
  C      -4.606805      5.865341      4.672296
  O      -3.501201      6.371911      4.608981
  C      -5.649740      5.973779      3.585473
  N      -6.912937      5.931908      4.002714
  C      -7.871493      6.119019      3.062826
  N      -7.691031      6.322897      1.763669
  C      -6.402100      6.340975      1.314549
  C      -6.170638      6.528241     -0.064401
  C      -4.886417      6.535945     -0.545931
  C      -3.788143      6.358604      0.327605
  C      -3.976405      6.183830      1.675601
  C      -5.292729      6.172225      2.210129
  C      -1.775574     -1.099278      4.216609
  C      -3.213684     -1.500924      3.838861
  O      -3.784650     -0.597413      2.839316
  C      -4.283664      0.539559      3.306127
  O      -4.405314      0.745717      4.557563
  C      -4.869726      1.457360      2.296465
  N      -5.923638      2.127321      2.768793
  C      -6.605739      2.885161      1.881953
  N      -6.319166      3.053705      0.591676
  C      -5.194860      2.439624      0.116328
  C      -4.813378      2.646912     -1.244436
  C      -3.674241      2.047247     -1.745545
  C      -2.869876      1.230484     -0.908879
  C      -3.214329      1.004133      0.417529
  C      -4.392939      1.589666      0.956098
  C      -3.793800     -0.384176      7.213534
  C      -4.711652      0.073368      8.346506
  O      -5.523653      1.207955      7.945028
  C      -6.635722      0.929882      7.224479
  O      -6.970024     -0.191223      6.894646
  C      -7.415884      2.182352      6.920427
  N      -7.238792      3.185650      7.765821
  C      -8.005294      4.286554      7.589789
  N      -8.916323      4.476607      6.665426
  C      -9.078062      3.471238      5.750011
  C     -10.015909      3.641952      4.687443
  C     -10.185315      2.653787      3.741724
  C      -9.437477      1.459471      3.831554
  C      -8.527392      1.255065      4.853268
  C      -8.326528      2.252810      5.831769
  H      -3.171772      3.787291      8.158645
  H      -4.389073      3.010433      7.125356
  H      -3.542571      5.962164      6.889600
  H      -4.973439      5.318961      7.771965
  H      -8.912201      6.108279      3.446825
  H      -7.035777      6.650433     -0.713185
  H      -4.709565      6.669939     -1.609657
  H      -2.774529      6.358497     -0.076241
  H      -3.132594      6.057666      2.346023
  H      -1.588194     -1.553309      5.205442
  H      -1.085064     -1.580649      3.515980
  H      -3.880847     -1.515490      4.711819
  H      -3.230574     -2.486681      3.354405
  H      -7.497749      3.390514      2.281350
  H      -5.442261      3.294273     -1.858938
  H      -3.380599      2.204435     -2.793925
  H      -1.965806      0.774880     -1.322335
  H      -2.586101      0.376923      1.050045
  H      -4.439069     -0.608212      6.356924
  H      -3.316950     -1.333348      7.534795
  H      -5.368112     -0.758041      8.646384
  H      -4.147955      0.435585      9.215906
  H      -7.851893      5.094747      8.311855
  H     -10.579392      4.571677      4.652564
  H     -10.900467      2.788028      2.910777
  H      -9.585450      0.691381      3.080010
  H      -7.961321      0.331335      4.913069
  N      -2.382910      2.807593      3.590965
  N      -2.276723      3.502130      2.608095
  H      -1.375587      3.435590      2.085544
98
Coordinates from ORCA-job orca E -6706.367458319517
  N      -2.590232      3.476369      6.143137
  Mo     -2.624103      1.725225      5.167924
  N      -2.789002      0.580263      6.821019
  C      -1.602145      0.481561      7.665790
  C      -0.687557      1.675971      7.456871
  N      -0.560775      1.980582      6.002006
  C      -0.207459      3.406087      5.780497
  C      -1.382335      4.282604      6.200130
  C       0.409224      1.066675      5.331647
  C      -0.156207      0.726045      3.955668
  N      -1.531993      0.324477      4.155474
  H      -1.454694      5.174150      5.547914
  H      -1.239365      4.658783      7.231858
  H       0.009692      3.518405      4.737551
  H       0.682326      3.655759      6.338278
  H       0.441132     -0.067536      3.475396
  H      -0.111361      1.616483      3.304049
  H       0.482352      0.150582      5.933265
  H       1.403662      1.535157      5.290506
  H      -1.867182      0.433308      8.737797
  H      -1.068312     -0.467728      7.443931
  H      -1.117485      2.558728      7.944943
  H       0.309112      1.500331      7.885307
  C      -3.605771      3.781486      7.135404
  C      -4.272299      5.143323      6.919469
  O      -5.079188      5.149357      5.722823
  C      -4.610625      5.821357      4.658890
  O      -3.514921      6.321884      4.595783
  C      -5.659079      5.935545      3.580613
  N      -6.902928      5.859457      3.984639
  C      -7.866646      6.053050      3.057449
  N      -7.711646      6.293438      1.783072
  C      -6.439670      6.342606      1.341781
  C      -6.215294      6.545990     -0.034690
  C      -4.929111      6.557437     -0.531226
  C      -3.826683      6.373866      0.330616
  C      -4.013316      6.191274      1.681842
  C      -5.323332      6.165078      2.221611
  C      -1.765051     -1.105560      4.191844
  C      -3.197233     -1.488485      3.823533
  O      -3.781714     -0.584517      2.837697
  C      -4.285100      0.542419      3.300270
  O      -4.402687      0.744801      4.548422
  C      -4.867941      1.453642      2.280836
  N      -5.929477      2.111010      2.719465
  C      -6.603425      2.858083      1.813771
  N      -6.300520      3.033218      0.540360
  C      -5.169371      2.429889      0.097130
  C      -4.763060      2.654548     -1.237195
  C      -3.611641      2.073536     -1.701501
  C      -2.822824      1.250730     -0.859687
  C      -3.191922      1.007403      0.439982
  C      -4.377496      1.584827      0.950425
  C      -3.813308     -0.370818      7.212461
  C      -4.709301      0.116403      8.348948
  O      -5.503337      1.252731      7.938943
  C      -6.628515      0.968092      7.234401
  O      -6.979089     -0.162123      6.925211
  C      -7.405474      2.223170      6.917035
  N      -7.231119      3.237764      7.748928
  C      -7.997064      4.338900      7.548840
  N      -8.909070      4.517991      6.618135
  C      -9.074801      3.501734      5.736197
  C     -10.031598      3.656974      4.720498
  C     -10.217044      2.653907      3.809548
  C      -9.457882      1.462556      3.872764
  C      -8.528615      1.272726      4.853738
  C      -8.320019      2.282850      5.826699
  H      -3.167712      3.795211      8.158414
  H      -4.383523      3.002351      7.128171
  H      -3.534419      5.958042      6.868289
  H      -4.977236      5.322355      7.744801
  H      -8.875995      5.993639      3.418706
  H      -7.082189      6.668650     -0.677454
  H      -4.750719      6.697736     -1.599729
  H      -2.811671      6.373526     -0.085785
  H      -3.162503      6.051936      2.338359
  H      -1.560508     -1.581983      5.177681
  H      -1.073389     -1.576375      3.461470
  H      -3.841895     -1.514186      4.672989
  H      -3.204929     -2.441698      3.345210
  H      -7.500791      3.354381      2.185614
  H      -5.380520      3.305594     -1.857024
  H      -3.295928      2.251181     -2.722521
  H      -1.908945      0.809068     -1.244339
  H      -2.571728      0.382529      1.082409
  H      -4.464036     -0.591515      6.361280
  H      -3.354929     -1.321069      7.539223
  H      -5.374724     -0.696664      8.669080
  H      -4.131506      0.482707      9.207790
  H      -7.841467      5.154375      8.253068
  H     -10.602093      4.584118      4.693673
  H     -10.954160      2.773301      3.027130
  H      -9.615607      0.681118      3.127238
  H      -7.961925      0.349202      4.905094
  N      -2.382422      2.799400      3.590792
  N      -2.300139      3.500961      2.609176
  H      -1.407450      3.449438      2.071503
98
Coordinates from ORCA-job orca E -6706.370794389887
  N      -2.594706      3.479232      6.141967
  Mo     -2.629100      1.729936      5.171091
  N      -2.788170      0.584318      6.828635
  C      -1.599910      0.486641      7.672569
  C      -0.687567      1.681637      7.462513
  N      -0.563167      1.982689      6.003933
  C      -0.208012      3.410043      5.769971
  C      -1.387563      4.282570      6.191285
  C       0.403001      1.062414      5.334408
  C      -0.164820      0.716355      3.960614
  N      -1.542605      0.322647      4.159608
  H      -1.466226      5.156884      5.540327
  H      -1.237764      4.662611      7.207758
  H      -0.000342      3.514789      4.703674
  H       0.706042      3.670416      6.321882
  H       0.428143     -0.081236      3.484568
  H      -0.114232      1.602222      3.305464
  H       0.473381      0.149817      5.939484
  H       1.398699      1.527036      5.289302
  H      -1.863878      0.437042      8.744214
  H      -1.064534     -0.461434      7.450302
  H      -1.117973      2.564221      7.949543
  H       0.311113      1.507136      7.890971
  C      -3.604531      3.789122      7.128434
  C      -4.274004      5.141909      6.907446
  O      -5.085195      5.138365      5.714523
  C      -4.609361      5.812432      4.654972
  O      -3.503707      6.336025      4.600784
  C      -5.652682      5.928084      3.567277
  N      -6.921907      5.881299      3.981705
  C      -7.888667      6.092816      3.054457
  N      -7.710719      6.316134      1.763181
  C      -6.412366      6.337374      1.310815
  C      -6.169618      6.541397     -0.075410
  C      -4.883294      6.566715     -0.553894
  C      -3.792584      6.388557      0.328963
  C      -3.989177      6.192653      1.679894
  C      -5.301282      6.156027      2.204023
  C      -1.789514     -1.103233      4.199471
  C      -3.232984     -1.488388      3.836803
  O      -3.797699     -0.582124      2.844438
  C      -4.295007      0.551652      3.307834
  O      -4.416715      0.752618      4.550620
  C      -4.876047      1.469242      2.292692
  N      -5.932779      2.134116      2.743964
  C      -6.607635      2.893761      1.853611
  N      -6.310627      3.076712      0.586449
  C      -5.186138      2.464068      0.127102
  C      -4.792232      2.687097     -1.210652
  C      -3.652229      2.089997     -1.700010
  C      -2.859554      1.259341     -0.873342
  C      -3.215351      1.020285      0.432549
  C      -4.392816      1.605164      0.961075
  C      -3.807363     -0.375839      7.220460
  C      -4.700544      0.099127      8.364393
  O      -5.493054      1.238487      7.966921
  C      -6.603754      0.959421      7.251933
  O      -6.935468     -0.164089      6.924038
  C      -7.393045      2.212076      6.939420
  N      -7.230596      3.240300      7.766409
  C      -8.004696      4.339005      7.543801
  N      -8.910951      4.504040      6.593448
  C      -9.065812      3.473535      5.724111
  C     -10.013648      3.614756      4.686205
  C     -10.185906      2.593994      3.771906
  C      -9.422237      1.398517      3.861661
  C      -8.500721      1.224032      4.872996
  C      -8.304111      2.254168      5.838996
  H      -3.162923      3.809164      8.146094
  H      -4.380722      3.012437      7.127089
  H      -3.540226      5.955701      6.854112
  H      -4.975157      5.320649      7.729499
  H      -8.919394      6.060752      3.427101
  H      -7.033677      6.670559     -0.727720
  H      -4.701061      6.724393     -1.615174
  H      -2.788731      6.414284     -0.062551
  H      -3.149398      6.064257      2.354418
  H      -1.592490     -1.562574      5.181347
  H      -1.109712     -1.585103      3.479032
  H      -3.899045     -1.487630      4.707648
  H      -3.260488     -2.480799      3.357816
  H      -7.500466      3.391932      2.231674
  H      -5.413290      3.343853     -1.818529
  H      -3.349575      2.259026     -2.731495
  H      -1.954602      0.803556     -1.278878
  H      -2.595000      0.386309      1.060196
  H      -4.462266     -0.592742      6.370922
  H      -3.341315     -1.327320      7.539047
  H      -5.365191     -0.714547      8.675676
  H      -4.122589      0.455258      9.224764
  H      -7.857806      5.168089      8.233480
  H     -10.589204      4.544296      4.639719
  H     -10.915209      2.703147      2.974916
  H      -9.571912      0.602155      3.120092
  H      -7.928674      0.297970      4.947855
  N      -2.375807      2.809718      3.595873
  N      -2.285660      3.513872      2.615693
  H      -1.393860      3.453754      2.076767
98
Coordinates from ORCA-job orca E -6706.367907436247
  N      -2.614006      3.481403      6.137560
  Mo     -2.629838      1.729248      5.169099
  N      -2.772271      0.585961      6.835798
  C      -1.579464      0.499196      7.678905
  C      -0.672822      1.700129      7.459437
  N      -0.555125      2.005802      5.996174
  C      -0.208446      3.441193      5.757802
  C      -1.418535      4.305037      6.190822
  C       0.420166      1.097839      5.325021
  C      -0.152904      0.745728      3.952392
  N      -1.527989      0.334080      4.157867
  H      -1.508477      5.201991      5.533554
  H      -1.289501      4.684107      7.232018
  H       0.003053      3.557956      4.657215
  H       0.728700      3.706700      6.323972
  H       0.447361     -0.044570      3.476069
  H      -0.115536      1.632946      3.295516
  H       0.502481      0.184243      5.931907
  H       1.414037      1.576419      5.276851
  H      -1.837170      0.448689      8.753032
  H      -1.040907     -0.445717      7.459035
  H      -1.107183      2.577162      7.947824
  H       0.332675      1.533432      7.885813
  C      -3.626045      3.775569      7.133997
  C      -4.287533      5.139648      6.942670
  O      -5.094044      5.167158      5.741902
  C      -4.611321      5.865197      4.678151
  O      -3.498126      6.366477      4.618858
  C      -5.652730      5.982828      3.587260
  N      -6.909006      5.922449      3.980466
  C      -7.860631      6.109405      3.026494
  N      -7.681104      6.327911      1.736826
  C      -6.394764      6.361857      1.310357
  C      -6.146736      6.547008     -0.073634
  C      -4.845289      6.541451     -0.547028
  C      -3.751283      6.362399      0.343733
  C      -3.961859      6.198870      1.702313
  C      -5.290325      6.191542      2.221342
  C      -1.756787     -1.098505      4.203595
  C      -3.217679     -1.501292      3.844177
  O      -3.799617     -0.602370      2.840705
  C      -4.294888      0.532038      3.312145
  O      -4.407173      0.737782      4.570180
  C      -4.882704      1.449984      2.302644
  N      -5.936810      2.114124      2.775996
  C      -6.622928      2.870558      1.889083
  N      -6.341547      3.043921      0.601511
  C      -5.217303      2.435452      0.125334
  C      -4.842242      2.645139     -1.234397
  C      -3.703640      2.048840     -1.740184
  C      -2.893904      1.232925     -0.908807
  C      -3.232985      1.003255      0.417624
  C      -4.410651      1.585074      0.961050
  C      -3.788628     -0.384752      7.232447
  C      -4.706130      0.082158      8.364524
  O      -5.528266      1.211357      7.953768
  C      -6.642195      0.920184      7.237659
  O      -6.971996     -0.210017      6.919425
  C      -7.418758      2.171492      6.920000
  N      -7.232319      3.173776      7.771316
  C      -7.988968      4.276408      7.595379
  N      -8.897704      4.470528      6.666327
  C      -9.068666      3.467155      5.741061
  C     -10.004540      3.646514      4.675701
  C     -10.188427      2.661179      3.723909
  C      -9.455932      1.461360      3.809693
  C      -8.546149      1.249411      4.835529
  C      -8.330942      2.244972      5.821389
  H      -3.186399      3.776436      8.155982
  H      -4.399894      3.003102      7.117724
  H      -3.551001      5.958277      6.902357
  H      -4.987227      5.302920      7.782886
  H      -8.891797      6.076988      3.383135
  H      -7.006412      6.667600     -0.740550
  H      -4.649820      6.662394     -1.621471
  H      -2.721329      6.348526     -0.056468
  H      -3.119438      6.065997      2.384385
  H      -1.540242     -1.574347      5.202665
  H      -1.061410     -1.563531      3.477187
  H      -3.878434     -1.510683      4.734027
  H      -3.246201     -2.490622      3.359708
  H      -7.514455      3.368213      2.283679
  H      -5.475234      3.290835     -1.846116
  H      -3.415041      2.207104     -2.789538
  H      -1.990155      0.779688     -1.326865
  H      -2.601069      0.376960      1.046398
  H      -4.438368     -0.616759      6.378046
  H      -3.310463     -1.332943      7.561484
  H      -5.358102     -0.753005      8.675239
  H      -4.140037      0.456609      9.231192
  H      -7.837561      5.084759      8.340308
  H     -10.555623      4.579870      4.643416
  H     -10.902943      2.803174      2.898960
  H      -9.615254      0.695072      3.056292
  H      -7.993748      0.322061      4.897068
  N      -2.396498      2.806237      3.597657
  N      -2.285197      3.501394      2.616154
  H      -1.381642      3.433432      2.095924
98
Coordinates from ORCA-job orca E -6706.371206505227
  N      -2.585448      3.478508      6.141490
  Mo     -2.621271      1.726283      5.173655
  N      -2.774658      0.584975      6.833941
  C      -1.584114      0.488362      7.675194
  C      -0.670926      1.682283      7.460653
  N      -0.549581      1.984711      6.001206
  C      -0.195965      3.412639      5.771926
  C      -1.380237      4.287479      6.198045
  C       0.417167      1.067616      5.329053
  C      -0.155742      0.720853      3.954936
  N      -1.532754      0.322457      4.159703
  H      -1.458665      5.181262      5.545472
  H      -1.237603      4.663561      7.236592
  H       0.017514      3.523066      4.705987
  H       0.713220      3.668991      6.331463
  H       0.438079     -0.075945      3.476243
  H      -0.110696      1.607843      3.299330
  H       0.490913      0.153435      5.933743
  H       1.413402      1.535365      5.282916
  H      -1.844646      0.440171      8.748376
  H      -1.050529     -0.460037      7.452482
  H      -1.099963      2.564224      7.950142
  H       0.330289      1.507699      7.886511
  C      -3.598900      3.779961      7.134758
  C      -4.267654      5.140599      6.926442
  O      -5.081328      5.156802      5.736805
  C      -4.612942      5.853785      4.674012
  O      -3.511334      6.362817      4.612679
  C      -5.659792      5.976763      3.592450
  N      -6.924541      5.936057      4.010992
  C      -7.886819      6.138186      3.077698
  N      -7.710363      6.354613      1.784167
  C      -6.418053      6.371734      1.331497
  C      -6.182881      6.571258     -0.048567
  C      -4.890178      6.575892     -0.539366
  C      -3.787449      6.381239      0.326455
  C      -3.981778      6.196882      1.677921
  C      -5.304616      6.187906      2.219881
  C      -1.772882     -1.106763      4.196261
  C      -3.221644     -1.498756      3.847693
  O      -3.806076     -0.599597      2.851571
  C      -4.298559      0.539978      3.318230
  O      -4.408830      0.750448      4.570881
  C      -4.881923      1.457695      2.305435
  N      -5.928179      2.139648      2.774307
  C      -6.603418      2.904844      1.888914
  N      -6.316303      3.072939      0.606228
  C      -5.200079      2.446144      0.132397
  C      -4.810366      2.666201     -1.210140
  C      -3.673270      2.064946     -1.704513
  C      -2.881506      1.229116     -0.882177
  C      -3.233923      0.990264      0.426973
  C      -4.406541      1.584670      0.965359
  C      -3.797385     -0.369799      7.231695
  C      -4.702699      0.115825      8.361584
  O      -5.510131      1.243467      7.939015
  C      -6.625974      0.946973      7.226914
  O      -6.963071     -0.186215      6.923818
  C      -7.407798      2.195859      6.889827
  N      -7.233597      3.223911      7.702363
  C      -8.004448      4.323916      7.488235
  N      -8.917429      4.490738      6.557383
  C      -9.078631      3.459416      5.684037
  C     -10.025428      3.602818      4.637351
  C     -10.200921      2.584868      3.735641
  C      -9.444550      1.388739      3.848087
  C      -8.524166      1.211718      4.857689
  C      -8.321656      2.238881      5.802621
  H      -3.156797      3.790032      8.155727
  H      -4.374314      3.003943      7.128245
  H      -3.536858      5.951721      6.870154
  H      -4.959996      5.316044      7.755978
  H      -8.925523      6.126758      3.461199
  H      -7.050478      6.704331     -0.693555
  H      -4.708039      6.719626     -1.605192
  H      -2.765214      6.373729     -0.088214
  H      -3.133308      6.054657      2.340375
  H      -1.555144     -1.579418      5.180306
  H      -1.094243     -1.577094      3.462270
  H      -3.871531     -1.505146      4.725179
  H      -3.247264     -2.481229      3.373601
  H      -7.486425      3.424785      2.287078
  H      -5.428051      3.330914     -1.812589
  H      -3.370572      2.238113     -2.733716
  H      -1.978173      0.773248     -1.289704
  H      -2.611554      0.355031      1.053670
  H      -4.446182     -0.598073      6.380515
  H      -3.333804     -1.316777      7.564301
  H      -5.360712     -0.705443      8.685133
  H      -4.130649      0.495036      9.219819
  H      -7.855148      5.153521      8.185796
  H     -10.595145      4.534114      4.580033
  H     -10.926799      2.696520      2.924315
  H      -9.595575      0.596363      3.123378
  H      -7.954230      0.285853      4.939830
  N      -2.381962      2.801044      3.597325
  N      -2.290419      3.501341      2.616852
  H      -1.397634      3.436421      2.078366
98
Coordinates from ORCA-job orca E -6706.366567216339
  N      -2.597582      3.477371      6.140354
  Mo     -2.634130      1.729470      5.166787
  N      -2.796567      0.578576      6.822432
  C      -1.606730      0.476873      7.664680
  C      -0.692048      1.672344      7.457939
  N      -0.568584      1.979641      6.001606
  C      -0.211584      3.406945      5.770285
  C      -1.389298      4.275396      6.192038
  C       0.398103      1.064068      5.328431
  C      -0.169450      0.725089      3.953597
  N      -1.547369      0.328435      4.152646
  H      -1.464337      5.146808      5.547474
  H      -1.241896      4.648299      7.201304
  H      -0.004703      3.516524      4.707647
  H       0.702366      3.663933      6.320666
  H       0.424223     -0.069153      3.474349
  H      -0.119849      1.614255      3.301253
  H       0.469020      0.149010      5.930371
  H       1.393919      1.529854      5.284775
  H      -1.869250      0.424375      8.736917
  H      -1.073302     -0.471361      7.439487
  H      -1.120517      2.554139      7.947526
  H       0.304855      1.495377      7.885212
  C      -3.607998      3.788146      7.129071
  C      -4.268922      5.148129      6.913879
  O      -5.073145      5.147587      5.714945
  C      -4.591102      5.814919      4.655607
  O      -3.485356      6.332335      4.599729
  C      -5.634798      5.926276      3.569131
  N      -6.886055      5.863032      3.974014
  C      -7.852937      6.064620      3.048653
  N      -7.694227      6.294870      1.769686
  C      -6.414787      6.331068      1.326410
  C      -6.191102      6.533316     -0.051429
  C      -4.923169      6.565616     -0.524729
  C      -3.833030      6.400158      0.356506
  C      -4.008990      6.202899      1.697082
  C      -5.301224      6.157111      2.214645
  C      -1.791651     -1.099647      4.184641
  C      -3.230716     -1.478898      3.838530
  O      -3.796251     -0.574141      2.850148
  C      -4.296494      0.557066      3.309355
  O      -4.424866      0.753189      4.545331
  C      -4.872340      1.473295      2.292655
  N      -5.930432      2.132197      2.729920
  C      -6.602585      2.881432      1.826715
  N      -6.302480      3.058666      0.558220
  C      -5.174511      2.453084      0.114799
  C      -4.779722      2.662176     -1.230122
  C      -3.637840      2.066412     -1.706688
  C      -2.844083      1.251514     -0.859100
  C      -3.202919      1.024139      0.452129
  C      -4.383020      1.605538      0.965115
  C      -3.819332     -0.376455      7.219571
  C      -4.703736      0.107791      8.368441
  O      -5.493451      1.248822      7.977549
  C      -6.610778      0.975094      7.272140
  O      -6.947213     -0.142655      6.945267
  C      -7.398031      2.226949      6.962378
  N      -7.236139      3.254764      7.793282
  C      -8.006488      4.349936      7.563140
  N      -8.906650      4.511903      6.599236
  C      -9.060281      3.482763      5.727504
  C      -9.999053      3.622085      4.683505
  C     -10.164727      2.603353      3.759130
  C      -9.404308      1.411594      3.843136
  C      -8.494031      1.238002      4.864981
  C      -8.303444      2.266896      5.847273
  H      -3.170667      3.799066      8.149994
  H      -4.389889      3.014282      7.120318
  H      -3.527567      5.961335      6.868139
  H      -4.978616      5.327768      7.735476
  H      -8.860178      6.010564      3.407558
  H      -7.054935      6.653015     -0.702082
  H      -4.754384      6.718325     -1.582365
  H      -2.846217      6.435726     -0.028771
  H      -3.168258      6.079248      2.368757
  H      -1.582220     -1.570615      5.153009
  H      -1.123153     -1.570327      3.450418
  H      -3.883085     -1.472360      4.705643
  H      -3.265363     -2.466451      3.366596
  H      -7.499945      3.368317      2.190948
  H      -5.403235      3.304913     -1.854791
  H      -3.335152      2.222498     -2.745633
  H      -1.937595      0.796277     -1.254066
  H      -2.583633      0.398616      1.093250
  H      -4.480319     -0.592971      6.372145
  H      -3.356089     -1.331352      7.539068
  H      -5.368973     -0.699695      8.687388
  H      -4.118300      0.463164      9.223484
  H      -7.854956      5.176234      8.245728
  H     -10.571581      4.548988      4.637721
  H     -10.885043      2.711928      2.953581
  H      -9.544974      0.616324      3.083583
  H      -7.923524      0.315282      4.938470
  N      -2.385643      2.817492      3.588711
  N      -2.304711      3.523933      2.608584
  H      -1.416643      3.470418      2.067023
98
Coordinates from ORCA-job orca E -6706.372173413738
  N      -2.598729      3.481432      6.143598
  Mo     -2.628895      1.730195      5.173398
  N      -2.782331      0.583270      6.830671
  C      -1.591515      0.487194      7.672167
  C      -0.681305      1.684672      7.460758
  N      -0.560507      1.990739      6.002314
  C      -0.207842      3.420887      5.770620
  C      -1.394161      4.289979      6.197622
  C       0.407882      1.076403      5.329457
  C      -0.162089      0.732499      3.955953
  N      -1.538301      0.331628      4.157631
  H      -1.473636      5.175346      5.548631
  H      -1.251127      4.665047      7.223794
  H       0.001128      3.531937      4.698020
  H       0.709897      3.680376      6.326838
  H       0.432762     -0.061654      3.477336
  H      -0.116358      1.620627      3.302640
  H       0.482359      0.161455      5.932118
  H       1.402714      1.545943      5.284569
  H      -1.851901      0.434796      8.744488
  H      -1.055340     -0.459247      7.447648
  H      -1.111982      2.564474      7.950586
  H       0.319302      1.511248      7.886757
  C      -3.610802      3.785942      7.132590
  C      -4.269707      5.146886      6.925826
  O      -5.077137      5.161775      5.727443
  C      -4.600393      5.840476      4.668252
  O      -3.492635      6.344143      4.609151
  C      -5.646520      5.964426      3.584812
  N      -6.908565      5.918510      3.995517
  C      -7.871897      6.123126      3.062513
  N      -7.697804      6.341025      1.772477
  C      -6.406462      6.362354      1.325919
  C      -6.164210      6.553614     -0.061511
  C      -4.869137      6.557866     -0.547938
  C      -3.775375      6.379619      0.333938
  C      -3.976636      6.202486      1.691921
  C      -5.295207      6.182824      2.220477
  C      -1.777363     -1.097614      4.188416
  C      -3.224256     -1.485577      3.848234
  O      -3.805794     -0.585833      2.854270
  C      -4.301139      0.548099      3.318973
  O      -4.414970      0.752136      4.567360
  C      -4.883321      1.465275      2.304992
  N      -5.933998      2.136118      2.762250
  C      -6.610370      2.895105      1.870411
  N      -6.321743      3.067514      0.593727
  C      -5.201875      2.449690      0.130120
  C      -4.818322      2.657954     -1.219973
  C      -3.682007      2.056249     -1.713352
  C      -2.883403      1.234493     -0.879230
  C      -3.231461      1.005433      0.436444
  C      -4.405758      1.594680      0.968837
  C      -3.802153     -0.377571      7.226126
  C      -4.705588      0.099524      8.362081
  O      -5.508888      1.231692      7.953336
  C      -6.620689      0.943082      7.239889
  O      -6.955853     -0.186081      6.927485
  C      -7.402156      2.193054      6.914920
  N      -7.230855      3.217194      7.742641
  C      -7.996195      4.316038      7.529466
  N      -8.901149      4.485646      6.586809
  C      -9.061545      3.459382      5.705706
  C     -10.003408      3.607793      4.661306
  C     -10.182673      2.594112      3.746260
  C      -9.432940      1.398229      3.840425
  C      -8.516121      1.216352      4.850005
  C      -8.311441      2.239496      5.815650
  H      -3.173079      3.793728      8.154004
  H      -4.389651      3.013784      7.120229
  H      -3.529749      5.961085      6.882127
  H      -4.971752      5.319415      7.755845
  H      -8.899011      6.094527      3.431147
  H      -7.028433      6.680863     -0.715515
  H      -4.682666      6.697462     -1.616811
  H      -2.760551      6.386255     -0.067042
  H      -3.134986      6.072361      2.367112
  H      -1.557235     -1.572839      5.162578
  H      -1.107002     -1.564475      3.450841
  H      -3.872867     -1.483032      4.728416
  H      -3.257147     -2.473218      3.377624
  H      -7.497767      3.401670      2.255081
  H      -5.444080      3.306808     -1.834392
  H      -3.386970      2.214349     -2.754250
  H      -1.980965      0.776250     -1.287254
  H      -2.607362      0.375639      1.067971
  H      -4.454146     -0.601752      6.375669
  H      -3.333754     -1.327487      7.551397
  H      -5.364387     -0.719740      8.677904
  H      -4.133136      0.467549      9.221516
  H      -7.846025      5.141431      8.229153
  H     -10.567946      4.538057      4.613814
  H     -10.906800      2.709744      2.942593
  H      -9.587693      0.608570      3.102623
  H      -7.954046      0.290510      4.924939
  N      -2.389972      2.810327      3.598754
  N      -2.302950      3.514102      2.619517
  H      -1.411944      3.455225      2.078862
98
Coordinates from ORCA-job orca E -6706.369703274151
  N      -2.575762      3.475709      6.145041
  Mo     -2.621739      1.724734      5.178205
  N      -2.770189      0.584643      6.841379
  C      -1.575147      0.484173      7.677475
  C      -0.658151      1.674718      7.456196
  N      -0.543585      1.975664      5.994816
  C      -0.188308      3.402043      5.761294
  C      -1.368679      4.280261      6.199387
  C       0.417999      1.057435      5.316507
  C      -0.162690      0.717832      3.943366
  N      -1.539120      0.319878      4.155912
  H      -1.447895      5.180209      5.550579
  H      -1.220751      4.649698      7.241050
  H       0.014526      3.512253      4.692775
  H       0.728012      3.655826      6.311126
  H       0.428675     -0.077678      3.458731
  H      -0.120865      1.607344      3.289368
  H       0.491764      0.141563      5.919327
  H       1.415454      1.521827      5.267060
  H      -1.830481      0.439138      8.752788
  H      -1.046511     -0.466747      7.454205
  H      -1.082777      2.558499      7.946252
  H       0.345342      1.498973      7.877895
  C      -3.586351      3.776215      7.142624
  C      -4.261976      5.135700      6.934955
  O      -5.077647      5.148881      5.749270
  C      -4.606412      5.862037      4.689033
  O      -3.504635      6.388392      4.634292
  C      -5.648891      5.981032      3.601668
  N      -6.903899      5.925099      4.009988
  C      -7.862791      6.122228      3.071422
  N      -7.690518      6.346774      1.782034
  C      -6.408068      6.378785      1.339394
  C      -6.181537      6.590270     -0.031656
  C      -4.903745      6.619216     -0.504525
  C      -3.800233      6.424496      0.361227
  C      -3.982775      6.221552      1.699316
  C      -5.297690      6.199778      2.232316
  C      -1.776949     -1.110063      4.178230
  C      -3.246560     -1.493691      3.863154
  O      -3.836518     -0.599558      2.868658
  C      -4.317406      0.546829      3.333556
  O      -4.424267      0.763976      4.585408
  C      -4.897454      1.465443      2.320499
  N      -5.935248      2.161140      2.795301
  C      -6.608672      2.927695      1.911749
  N      -6.326016      3.088553      0.627603
  C      -5.217724      2.448224      0.146906
  C      -4.829131      2.665842     -1.191942
  C      -3.700850      2.048954     -1.692500
  C      -2.916308      1.201239     -0.879453
  C      -3.265256      0.969670      0.429958
  C      -4.428582      1.580564      0.975080
  C      -3.800955     -0.354734      7.253520
  C      -4.692667      0.150346      8.386019
  O      -5.503918      1.270810      7.950332
  C      -6.620239      0.962674      7.240700
  O      -6.945393     -0.172143      6.943242
  C      -7.411048      2.203787      6.886976
  N      -7.247667      3.247721      7.686166
  C      -8.023488      4.341894      7.448039
  N      -8.929357      4.490321      6.503236
  C      -9.077335      3.443204      5.639704
  C     -10.008160      3.568470      4.562640
  C     -10.162931      2.535870      3.658695
  C      -9.404863      1.342023      3.808414
  C      -8.502987      1.182258      4.855602
  C      -8.316746      2.225617      5.790084
  H      -3.139479      3.784842      8.160544
  H      -4.361661      2.999610      7.140808
  H      -3.535541      5.946023      6.875227
  H      -4.953488      5.312751      7.760651
  H      -8.899449      6.105192      3.449731
  H      -7.046665      6.717974     -0.680232
  H      -4.729651      6.774731     -1.562398
  H      -2.783600      6.428100     -0.046209
  H      -3.133413      6.076715      2.360410
  H      -1.522007     -1.609063      5.161332
  H      -1.108764     -1.564340      3.402495
  H      -3.882789     -1.482029      4.753578
  H      -3.293030     -2.482469      3.396023
  H      -7.488240      3.451594      2.309963
  H      -5.439572      3.342790     -1.785443
  H      -3.398762      2.220601     -2.717665
  H      -2.020353      0.732287     -1.292794
  H      -2.647432      0.328513      1.052241
  H      -4.460778     -0.583011      6.409155
  H      -3.344862     -1.302587      7.590655
  H      -5.349976     -0.665416      8.729581
  H      -4.111244      0.543391      9.234627
  H      -7.889338      5.185071      8.148662
  H     -10.580131      4.498840      4.479698
  H     -10.872621      2.634225      2.817706
  H      -9.538569      0.538286      3.082668
  H      -7.929348      0.258288      4.963269
  N      -2.387753      2.802190      3.599836
  N      -2.304058      3.500756      2.617773
  H      -1.418654      3.427914      2.067483
98
Coordinates from ORCA-job orca E -6706.372436408731
  N      -2.583145      3.481402      6.148051
  Mo     -2.625862      1.730467      5.178201
  N      -2.774786      0.585473      6.837938
  C      -1.580580      0.484163      7.674612
  C      -0.665685      1.677184      7.459570
  N      -0.550204      1.983031      6.000444
  C      -0.193916      3.411164      5.769160
  C      -1.376066      4.285222      6.203544
  C       0.412303      1.066568      5.321683
  C      -0.165312      0.727688      3.948245
  N      -1.542373      0.330173      4.155606
  H      -1.454627      5.177319      5.556851
  H      -1.229720      4.655680      7.237266
  H       0.011227      3.522504      4.696727
  H       0.725580      3.666831      6.322627
  H       0.425654     -0.067030      3.464568
  H      -0.120200      1.617127      3.296161
  H       0.485158      0.149950      5.922558
  H       1.409844      1.531772      5.274561
  H      -1.836984      0.433543      8.748635
  H      -1.049905     -0.464557      7.447848
  H      -1.091167      2.558430      7.952352
  H       0.336714      1.500050      7.881055
  C      -3.594484      3.785261      7.140365
  C      -4.256590      5.148173      6.936482
  O      -5.066958      5.167041      5.742812
  C      -4.593693      5.861500      4.683126
  O      -3.488971      6.371798      4.624459
  C      -5.640317      5.984301      3.601270
  N      -6.899219      5.937739      4.015703
  C      -7.862515      6.137131      3.083361
  N      -7.692624      6.353646      1.792740
  C      -6.405409      6.376873      1.342943
  C      -6.172853      6.572855     -0.039177
  C      -4.885652      6.586590     -0.525082
  C      -3.786776      6.405385      0.347902
  C      -3.977411      6.220606      1.699162
  C      -5.292029      6.199193      2.232861
  C      -1.785693     -1.098689      4.175033
  C      -3.241554     -1.482366      3.863292
  O      -3.830244     -0.587846      2.868138
  C      -4.313301      0.555717      3.330597
  O      -4.423206      0.767834      4.579998
  C      -4.891138      1.473930      2.315840
  N      -5.931427      2.162075      2.779633
  C      -6.605428      2.922712      1.888603
  N      -6.323269      3.080518      0.605150
  C      -5.212113      2.447486      0.135789
  C      -4.830618      2.649025     -1.214356
  C      -3.700484      2.036792     -1.708264
  C      -2.906740      1.209476     -0.876750
  C      -3.252154      0.987757      0.439303
  C      -4.419213      1.590680      0.974997
  C      -3.801224     -0.363691      7.243790
  C      -4.698788      0.128205      8.378610
  O      -5.512127      1.250906      7.953286
  C      -6.626585      0.945631      7.243766
  O      -6.958289     -0.190638      6.948779
  C      -7.409775      2.189374      6.893260
  N      -7.242441      3.225570      7.703832
  C      -8.008620      4.321607      7.468603
  N      -8.909645      4.477780      6.517486
  C      -9.064579      3.438675      5.650169
  C     -10.000325      3.572820      4.595223
  C     -10.172197      2.546443      3.695816
  C      -9.421267      1.351119      3.815749
  C      -8.511168      1.182981      4.836852
  C      -8.313776      2.219672      5.786706
  H      -3.154324      3.789821      8.161455
  H      -4.373641      3.013234      7.129229
  H      -3.520455      5.960138      6.887898
  H      -4.954283      5.321653      7.766288
  H      -8.889714      6.113770      3.458467
  H      -7.038933      6.698215     -0.688252
  H      -4.706007      6.729825     -1.591372
  H      -2.774594      6.412680     -0.057624
  H      -3.131994      6.087060      2.367264
  H      -1.541566     -1.588749      5.139154
  H      -1.133474     -1.555404      3.414106
  H      -3.876810     -1.465226      4.754659
  H      -3.289560     -2.476076      3.403287
  H      -7.484680      3.445287      2.280744
  H      -5.450574      3.305826     -1.824972
  H      -3.405417      2.192785     -2.746206
  H      -2.009014      0.743987     -1.284703
  H      -2.630069      0.356576      1.071141
  H      -4.459112     -0.589764      6.396999
  H      -3.339166     -1.314089      7.574964
  H      -5.353143     -0.691616      8.713313
  H      -4.120714      0.514921      9.230222
  H      -7.863833      5.157600      8.157957
  H     -10.565677      4.503296      4.528669
  H     -10.890724      2.651251      2.882745
  H      -9.568916      0.551328      3.088212
  H      -7.947212      0.257497      4.929247
  N      -2.395486      2.811237      3.601867
  N      -2.312102      3.513992      2.622056
  H      -1.425839      3.448295      2.074104
98
Coordinates from ORCA-job orca E -6706.370491474800
  N      -2.603719      3.482074      6.156152
  Mo     -2.630652      1.730961      5.183569
  N      -2.783081      0.570996      6.828708
  C      -1.590499      0.471084      7.667446
  C      -0.687121      1.676312      7.464018
  N      -0.568769      1.994353      6.008081
  C      -0.218016      3.428540      5.785761
  C      -1.399206      4.289270      6.220610
  C       0.401843      1.087205      5.328651
  C      -0.163145      0.761102      3.952962
  N      -1.536144      0.347969      4.152250
  H      -1.474739      5.178369      5.588531
  H      -1.254950      4.647995      7.241519
  H      -0.012170      3.549447      4.716762
  H       0.698538      3.684473      6.340574
  H       0.436097     -0.023263      3.462171
  H      -0.123868      1.660466      3.312564
  H       0.474686      0.165367      5.920582
  H       1.395029      1.557995      5.291352
  H      -1.850096      0.408990      8.738927
  H      -1.050315     -0.471611      7.434088
  H      -1.123674      2.550744      7.958850
  H       0.313791      1.505943      7.887136
  C      -3.626612      3.784726      7.134543
  C      -4.278010      5.145248      6.920553
  O      -5.077367      5.152766      5.715622
  C      -4.590063      5.816441      4.663227
  O      -3.478770      6.315204      4.613679
  C      -5.632717      5.950998      3.574987
  N      -6.899043      5.926395      3.982428
  C      -7.861838      6.151128      3.049124
  N      -7.683573      6.367561      1.761814
  C      -6.388900      6.368414      1.319547
  C      -6.143094      6.563452     -0.062758
  C      -4.842993      6.548525     -0.545642
  C      -3.748341      6.346640      0.335942
  C      -3.955037      6.166688      1.690840
  C      -5.277379      6.166676      2.214267
  C      -1.759098     -1.085206      4.157097
  C      -3.220217     -1.457595      3.870500
  O      -3.814715     -0.568719      2.875622
  C      -4.313099      0.561380      3.339284
  O      -4.423267      0.762323      4.584082
  C      -4.900941      1.478243      2.328696
  N      -5.940295      2.159011      2.791365
  C      -6.620140      2.921163      1.904123
  N      -6.344022      3.089801      0.627076
  C      -5.235159      2.460630      0.155439
  C      -4.866150      2.661048     -1.199625
  C      -3.742187      2.045840     -1.705255
  C      -2.941231      1.219417     -0.876881
  C      -3.275776      0.997980      0.443413
  C      -4.437975      1.599125      0.986864
  C      -3.804955     -0.385922      7.223234
  C      -4.708676      0.096128      8.356083
  O      -5.501419      1.230765      7.953426
  C      -6.601315      0.951735      7.230876
  O      -6.925326     -0.167064      6.899706
  C      -7.389966      2.197840      6.914278
  N      -7.235777      3.227592      7.738795
  C      -8.008270      4.320216      7.522765
  N      -8.899937      4.481031      6.572161
  C      -9.040368      3.449649      5.691222
  C      -9.960181      3.588247      4.614602
  C     -10.122925      2.565028      3.696731
  C      -9.381426      1.369767      3.835116
  C      -8.483761      1.198832      4.874460
  C      -8.289763      2.232377      5.821341
  H      -3.199621      3.788967      8.160426
  H      -4.409129      3.013240      7.112971
  H      -3.531286      5.954438      6.881083
  H      -4.986695      5.325602      7.742258
  H      -8.889499      6.138294      3.414443
  H      -7.008240      6.709685     -0.716965
  H      -4.652817      6.692414     -1.610404
  H      -2.728744      6.337700     -0.062414
  H      -3.113741      6.018543      2.366078
  H      -1.485781     -1.599675      5.115844
  H      -1.109900     -1.524865      3.362088
  H      -3.838218     -1.431351      4.761028
  H      -3.275405     -2.446021      3.425141
  H      -7.500371      3.430456      2.291110
  H      -5.495443      3.311984     -1.809610
  H      -3.459176      2.196167     -2.751385
  H      -2.048421      0.749510     -1.294326
  H      -2.650718      0.362788      1.068750
  H      -4.455002     -0.609087      6.373707
  H      -3.339757     -1.336280      7.547742
  H      -5.371012     -0.713336      8.666734
  H      -4.140310      0.456709      9.214892
  H      -7.874021      5.147643      8.222339
  H     -10.522591      4.517255      4.539575
  H     -10.828976      2.671853      2.858402
  H      -9.527379      0.572380      3.106324
  H      -7.924596      0.273587      4.976473
  N      -2.397921      2.820867      3.607927
  N      -2.331415      3.534719      2.633435
  H      -1.455534      3.472663      2.067338
98
Coordinates from ORCA-job orca E -6706.372520652454
  N      -2.589260      3.481482      6.151544
  Mo     -2.627519      1.731569      5.180271
  N      -2.776714      0.579747      6.834609
  C      -1.582134      0.478947      7.671196
  C      -0.671606      1.676712      7.461187
  N      -0.554630      1.987882      6.003606
  C      -0.200485      3.417865      5.777209
  C      -1.383946      4.287306      6.213795
  C       0.410059      1.074993      5.323608
  C      -0.163669      0.741403      3.948756
  N      -1.539852      0.339121      4.152749
  H      -1.461463      5.183145      5.573330
  H      -1.239959      4.651130      7.248202
  H       0.005327      3.533967      4.706566
  H       0.717340      3.672696      6.331700
  H       0.429719     -0.049933      3.462275
  H      -0.119664      1.634455      3.301009
  H       0.482643      0.156141      5.921001
  H       1.406506      1.541687      5.279702
  H      -1.839001      0.423060      8.744782
  H      -1.047806     -0.467237      7.440836
  H      -1.100896      2.555162      7.955543
  H       0.330069      1.501452      7.883814
  C      -3.605384      3.782913      7.139006
  C      -4.262511      5.146484      6.934832
  O      -5.068414      5.164926      5.736906
  C      -4.589246      5.856264      4.680910
  O      -3.482164      6.365870      4.626679
  C      -5.633207      5.982152      3.596049
  N      -6.892384      5.945069      4.008095
  C      -7.854118      6.151845      3.074344
  N      -7.680555      6.363293      1.782863
  C      -6.392581      6.376295      1.335771
  C      -6.154074      6.565249     -0.049022
  C      -4.865301      6.568890     -0.531707
  C      -3.769359      6.382566      0.345600
  C      -3.965299      6.202742      1.698630
  C      -5.282324      6.193333      2.229595
  C      -1.777102     -1.091452      4.163052
  C      -3.235418     -1.470409      3.869402
  O      -3.826049     -0.579974      2.871774
  C      -4.315774      0.558692      3.335737
  O      -4.424527      0.767214      4.586179
  C      -4.897800      1.476193      2.323052
  N      -5.937020      2.161671      2.787693
  C      -6.613969      2.922954      1.898842
  N      -6.335975      3.085135      0.618031
  C      -5.226378      2.453489      0.146317
  C      -4.851498      2.654633     -1.205400
  C      -3.724782      2.040252     -1.706483
  C      -2.927509      1.212516     -0.878711
  C      -3.266867      0.991436      0.439735
  C      -4.430984      1.594463      0.980960
  C      -3.801096     -0.372204      7.240164
  C      -4.700244      0.120729      8.372992
  O      -5.506688      1.246367      7.950965
  C      -6.617702      0.945670      7.238800
  O      -6.948548     -0.188580      6.940311
  C      -7.402197      2.188849      6.893036
  N      -7.237296      3.225039      7.704323
  C      -8.004825      4.319963      7.470051
  N      -8.903217      4.476082      6.519008
  C      -9.055562      3.437149      5.652144
  C      -9.987022      3.571133      4.592954
  C     -10.158318      2.542561      3.691994
  C      -9.411509      1.345751      3.818663
  C      -8.504543      1.178842      4.844061
  C      -8.306157      2.217816      5.790134
  H      -3.170761      3.784101      8.162411
  H      -4.386062      3.011831      7.121770
  H      -3.523114      5.956801      6.890500
  H      -4.963195      5.320680      7.762829
  H      -8.882690      6.137430      3.447799
  H      -7.017722      6.694992     -0.701874
  H      -4.681949      6.708646     -1.598507
  H      -2.754940      6.382006     -0.057711
  H      -3.120752      6.061586      2.368528
  H      -1.517719     -1.590856      5.119437
  H      -1.133250     -1.539945      3.386439
  H      -3.861390     -1.441984      4.764307
  H      -3.291172     -2.466986      3.421050
  H      -7.493641      3.438179      2.287913
  H      -5.475653      3.309252     -1.814313
  H      -3.435915      2.194106     -2.747463
  H      -2.032475      0.744259     -1.292757
  H      -2.643227      0.358303      1.067312
  H      -4.456814     -0.601656      6.392910
  H      -3.336994     -1.321522      7.573085
  H      -5.357335     -0.694869      8.702935
  H      -4.124632      0.501525      9.225740
  H      -7.864846      5.155002      8.164361
  H     -10.550810      4.502331      4.523019
  H     -10.873849      2.646685      2.874434
  H      -9.559903      0.543936      3.093589
  H      -7.943088      0.252645      4.941541
  N      -2.400502      2.818370      3.604806
  N      -2.324885      3.526370      2.627804
  H      -1.444251      3.459312      2.069523
98
Coordinates from ORCA-job orca E -6706.372349698305
  N      -2.585034      3.475218      6.134065
  Mo     -2.622090      1.720520      5.172227
  N      -2.777188      0.582702      6.836653
  C      -1.584940      0.486130      7.676103
  C      -0.669059      1.677846      7.459494
  N      -0.547956      1.979251      5.999392
  C      -0.192132      3.406848      5.764221
  C      -1.378342      4.280429      6.187665
  C       0.418394      1.062680      5.326947
  C      -0.154813      0.717230      3.953764
  N      -1.532288      0.320253      4.159613
  H      -1.454726      5.165829      5.534973
  H      -1.236468      4.658218      7.216865
  H       0.018612      3.513611      4.690743
  H       0.725416      3.665328      6.321329
  H       0.437575     -0.079947      3.477996
  H      -0.107706      1.602141      3.296952
  H       0.492724      0.148754      5.931062
  H       1.414796      1.530818      5.279999
  H      -1.843082      0.438941      8.749463
  H      -1.053386     -0.462695      7.453689
  H      -1.094944      2.560789      7.947757
  H       0.331861      1.501066      7.886144
  C      -3.594564      3.783575      7.125792
  C      -4.257358      5.144837      6.916112
  O      -5.070349      5.159859      5.723732
  C      -4.596746      5.846329      4.662708
  O      -3.489292      6.348085      4.600855
  C      -5.645024      5.976895      3.580413
  N      -6.908336      5.930355      3.993658
  C      -7.875131      6.140220      3.064980
  N      -7.705164      6.369614      1.779405
  C      -6.413385      6.393733      1.331332
  C      -6.180405      6.603942     -0.046441
  C      -4.888929      6.619718     -0.531246
  C      -3.789795      6.433273      0.342130
  C      -3.981717      6.235772      1.690531
  C      -5.296370      6.205348      2.218146
  C      -1.771904     -1.109288      4.190684
  C      -3.222126     -1.504972      3.847230
  O      -3.815303     -0.603610      2.860963
  C      -4.308417      0.532201      3.330823
  O      -4.415203      0.737026      4.577810
  C      -4.890493      1.451499      2.319695
  N      -5.933913      2.134335      2.785538
  C      -6.603636      2.903814      1.898870
  N      -6.315137      3.072948      0.617261
  C      -5.201861      2.442865      0.146287
  C      -4.814907      2.655051     -1.201291
  C      -3.679681      2.052234     -1.693828
  C      -2.888001      1.221126     -0.863642
  C      -3.241353      0.984915      0.447920
  C      -4.412027      1.580034      0.982761
  C      -3.801924     -0.367851      7.245744
  C      -4.705445      0.129829      8.373269
  O      -5.515427      1.252942      7.945497
  C      -6.630554      0.950641      7.237924
  O      -6.963425     -0.182821      6.941489
  C      -7.415742      2.194882      6.895137
  N      -7.236522      3.231583      7.701312
  C      -8.003691      4.327208      7.475477
  N      -8.916229      4.483165      6.538333
  C      -9.082417      3.443721      5.673435
  C     -10.025919      3.578538      4.625890
  C     -10.203057      2.554152      3.724600
  C      -9.450839      1.360120      3.836745
  C      -8.534805      1.190939      4.851550
  C      -8.330838      2.225695      5.800740
  H      -3.151576      3.795503      8.144312
  H      -4.373827      3.012169      7.121293
  H      -3.519624      5.956041      6.863810
  H      -4.954221      5.322218      7.746685
  H      -8.904761      6.112259      3.435923
  H      -7.048711      6.737703     -0.693121
  H      -4.709178      6.775933     -1.593498
  H      -2.777814      6.451474     -0.057478
  H      -3.136716      6.100578      2.359093
  H      -1.545908     -1.584519      5.172945
  H      -1.095309     -1.571459      3.451043
  H      -3.867803     -1.516533      4.728503
  H      -3.247830     -2.486077      3.364151
  H      -7.483560      3.426679      2.295110
  H      -5.435195      3.311595     -1.811795
  H      -3.379602      2.218274     -2.729004
  H      -1.985893      0.763615     -1.269320
  H      -2.621192      0.349366      1.077592
  H      -4.452380     -0.606495      6.396972
  H      -3.337154     -1.312412      7.588739
  H      -5.361064     -0.688029      8.708017
  H      -4.129355      0.517252      9.225606
  H      -7.846253      5.163977      8.158347
  H     -10.590806      4.508605      4.564373
  H     -10.925252      2.660682      2.914838
  H      -9.599028      0.562796      3.104670
  H      -7.966337      0.268050      4.936254
  N      -2.386637      2.800349      3.594429
  N      -2.306023      3.501386      2.613231
  H      -1.416825      3.445738      2.071874
98
Coordinates from ORCA-job orca E -6706.372591502458
  N      -2.584723      3.478157      6.143808
  Mo     -2.623367      1.724652      5.178685
  N      -2.775312      0.580814      6.837576
  C      -1.581514      0.480783      7.674626
  C      -0.668136      1.675063      7.460149
  N      -0.550972      1.981175      6.001087
  C      -0.195209      3.409921      5.769484
  C      -1.377516      4.282209      6.200239
  C       0.413423      1.065425      5.324892
  C      -0.160316      0.726662      3.951427
  N      -1.536654      0.328161      4.157148
  H      -1.453798      5.171635      5.554178
  H      -1.232846      4.652754      7.229302
  H       0.011384      3.520535      4.697783
  H       0.723052      3.666103      6.323657
  H       0.431657     -0.068199      3.470063
  H      -0.114588      1.615825      3.299133
  H       0.486003      0.148713      5.925384
  H       1.409719      1.531793      5.279797
  H      -1.838078      0.429685      8.748157
  H      -1.049511     -0.467344      7.447919
  H      -1.094963      2.555938      7.951771
  H       0.333852      1.498892      7.883425
  C      -3.597819      3.783625      7.133163
  C      -4.253954      5.148872      6.929447
  O      -5.064995      5.173015      5.735783
  C      -4.590308      5.865424      4.678561
  O      -3.483082      6.369376      4.620143
  C      -5.636978      5.997314      3.595934
  N      -6.896696      5.952324      4.008345
  C      -7.858298      6.153713      3.074339
  N      -7.685307      6.369736      1.783172
  C      -6.397725      6.393813      1.336484
  C      -6.162760      6.592801     -0.045107
  C      -4.873512      6.607143     -0.530280
  C      -3.776479      6.425925      0.344689
  C      -3.971232      6.239909      1.697972
  C      -5.286233      6.215691      2.228949
  C      -1.776455     -1.101551      4.173028
  C      -3.232785     -1.487752      3.864993
  O      -3.828327     -0.593417      2.873911
  C      -4.315705      0.546027      3.339697
  O      -4.420127      0.754758      4.588423
  C      -4.898266      1.463746      2.327100
  N      -5.936602      2.151629      2.794471
  C      -6.610560      2.917455      1.907187
  N      -6.329845      3.081562      0.625518
  C      -5.221101      2.447408      0.152089
  C      -4.842391      2.653587     -1.197405
  C      -3.714450      2.040761     -1.697363
  C      -2.920509      1.208268     -0.871194
  C      -3.264221      0.981052      0.444525
  C      -4.428824      1.584009      0.985579
  C      -3.801450     -0.366561      7.246685
  C      -4.701044      0.132561      8.375852
  O      -5.510337      1.253859      7.946308
  C      -6.623127      0.948026      7.237526
  O      -6.954030     -0.186976      6.944714
  C      -7.407749      2.189491      6.886201
  N      -7.237887      3.231514      7.690843
  C      -8.005769      4.325561      7.454125
  N      -8.909596      4.475558      6.505915
  C      -9.066653      3.430495      5.644548
  C     -10.003093      3.557977      4.588561
  C     -10.176927      2.524950      3.694590
  C      -9.427114      1.329824      3.822594
  C      -8.516185      1.168595      4.844639
  C      -8.315907      2.212153      5.785962
  H      -3.160478      3.786616      8.155202
  H      -4.379745      3.013648      7.119064
  H      -3.513782      5.958375      6.881584
  H      -4.950151      5.324110      7.760179
  H      -8.884735      6.127952      3.445072
  H      -7.027856      6.719571     -0.695314
  H      -4.691675      6.754338     -1.595997
  H      -2.762557      6.436243     -0.059829
  H      -3.128164      6.108199      2.368310
  H      -1.526067     -1.592802      5.137289
  H      -1.123250     -1.554302      3.406616
  H      -3.864463     -1.474010      4.758327
  H      -3.278784     -2.480181      3.402152
  H      -7.488098      3.439584      2.301653
  H      -5.463504      3.312931     -1.803958
  H      -3.421815      2.199951     -2.735655
  H      -2.024063      0.742488     -1.283286
  H      -2.642139      0.345260      1.071730
  H      -4.455136     -0.599628      6.400362
  H      -3.339887     -1.313211      7.585075
  H      -5.356564     -0.683134      8.713054
  H      -4.124269      0.521182      9.225513
  H      -7.857970      5.165928      8.137654
  H     -10.568067      4.488390      4.516671
  H     -10.895395      2.624786      2.878916
  H      -9.575568      0.525120      3.100730
  H      -7.951609      0.244162      4.943066
  N      -2.394797      2.806633      3.601641
  N      -2.322140      3.511907      2.622804
  H      -1.440411      3.450438      2.067507
98
Coordinates from ORCA-job orca E -6706.372372067171
  N      -2.589513      3.479715      6.146937
  Mo     -2.629779      1.727578      5.179634
  N      -2.774778      0.580948      6.839320
  C      -1.577818      0.483099      7.673097
  C      -0.666042      1.678759      7.456711
  N      -0.552341      1.986749      5.997632
  C      -0.201732      3.416050      5.766655
  C      -1.384071      4.286604      6.206080
  C       0.412217      1.073955      5.316229
  C      -0.166994      0.733805      3.943725
  N      -1.543485      0.333571      4.154712
  H      -1.462209      5.185328      5.564890
  H      -1.238575      4.650302      7.243800
  H      -0.000991      3.529723      4.696654
  H       0.716410      3.672007      6.315629
  H       0.424711     -0.061125      3.460559
  H      -0.124131      1.622736      3.289636
  H       0.490333      0.156909      5.916761
  H       1.408216      1.543124      5.266081
  H      -1.831535      0.431097      8.747847
  H      -1.044414     -0.463961      7.444702
  H      -1.092259      2.559039      7.950828
  H       0.336583      1.502014      7.877824
  C      -3.601629      3.782385      7.138473
  C      -4.256069      5.147748      6.936772
  O      -5.061203      5.168001      5.737897
  C      -4.580689      5.861645      4.683786
  O      -3.473065      6.374309      4.631275
  C      -5.623427      5.988457      3.598387
  N      -6.881714      5.945442      4.008085
  C      -7.845765      6.156216      3.076530
  N      -7.674420      6.376876      1.789181
  C      -6.384198      6.393174      1.341868
  C      -6.142128      6.586986     -0.045390
  C      -4.853308      6.603365     -0.523500
  C      -3.758507      6.420337      0.357317
  C      -3.954394      6.228552      1.707532
  C      -5.273169      6.209736      2.236087
  C      -1.782246     -1.097418      4.172779
  C      -3.235756     -1.486216      3.867311
  O      -3.834758     -0.593009      2.877304
  C      -4.324903      0.544408      3.345363
  O      -4.425771      0.753028      4.596227
  C      -4.911113      1.461220      2.334660
  N      -5.953749      2.137782      2.797807
  C      -6.630961      2.901399      1.910786
  N      -6.351034      3.072465      0.633134
  C      -5.239358      2.446955      0.161857
  C      -4.865858      2.650843     -1.191369
  C      -3.737485      2.041650     -1.693937
  C      -2.937784      1.215659     -0.865977
  C      -3.277288      0.989703      0.452893
  C      -4.442896      1.586932      0.994679
  C      -3.798239     -0.369960      7.251240
  C      -4.700450      0.132420      8.377197
  O      -5.505067      1.254391      7.944516
  C      -6.616474      0.948796      7.235485
  O      -6.950899     -0.188352      6.950243
  C      -7.398514      2.190457      6.877870
  N      -7.231136      3.233653      7.678266
  C      -7.998993      4.326859      7.434267
  N      -8.900403      4.474836      6.485315
  C      -9.054906      3.428958      5.630001
  C      -9.988228      3.554315      4.571009
  C     -10.158627      2.518926      3.675217
  C      -9.409476      1.324437      3.810260
  C      -8.501674      1.165967      4.839181
  C      -8.304150      2.211350      5.777202
  H      -3.163385      3.783238      8.160669
  H      -4.383914      3.012783      7.123658
  H      -3.515525      5.956881      6.893921
  H      -4.955899      5.321232      7.765629
  H      -8.880203      6.145354      3.453486
  H      -7.005141      6.715073     -0.700926
  H      -4.667603      6.750747     -1.591142
  H      -2.743440      6.431190     -0.042794
  H      -3.110015      6.091009      2.380014
  H      -1.531924     -1.586236      5.134237
  H      -1.131018     -1.549020      3.408062
  H      -3.863416     -1.476277      4.759605
  H      -3.278714     -2.475273      3.406150
  H      -7.513306      3.407404      2.296055
  H      -5.493269      3.301230     -1.801996
  H      -3.450302      2.196657     -2.737494
  H      -2.041464      0.751049     -1.281380
  H      -2.652768      0.356329      1.079332
  H      -4.450912     -0.609227      6.404122
  H      -3.332899     -1.315376      7.594416
  H      -5.357453     -0.679845      8.712271
  H      -4.126714      0.520271      9.227172
  H      -7.858422      5.168472      8.123370
  H     -10.553773      4.484334      4.495309
  H     -10.875341      2.616383      2.857411
  H      -9.556429      0.518158      3.090601
  H      -7.937809      0.241887      4.943516
  N      -2.410756      2.813083      3.601991
  N      -2.344491      3.520599      2.624080
  H      -1.463593      3.467341      2.066671
98
Coordinates from ORCA-job orca E -6706.372538184353
  N      -2.586373      3.480713      6.152156
  Mo     -2.630700      1.730117      5.181298
  N      -2.778061      0.577751      6.835136
  C      -1.580674      0.475903      7.668515
  C      -0.669048      1.672553      7.458438
  N      -0.554202      1.983979      6.001257
  C      -0.198291      3.412773      5.773201
  C      -1.380145      4.284099      6.214358
  C       0.408121      1.071283      5.317441
  C      -0.169639      0.740133      3.942844
  N      -1.546479      0.339800      4.150299
  H      -1.457500      5.180688      5.575682
  H      -1.234653      4.645801      7.250306
  H       0.002657      3.527442      4.698868
  H       0.724861      3.666941      6.324344
  H       0.421309     -0.052145      3.454942
  H      -0.125392      1.633040      3.294874
  H       0.482113      0.151576      5.913513
  H       1.405444      1.537039      5.271403
  H      -1.834888      0.418740      8.742758
  H      -1.047453     -0.470138      7.435448
  H      -1.095313      2.551448      7.954754
  H       0.332485      1.494081      7.879730
  C      -3.604067      3.786719      7.136077
  C      -4.257969      5.151899      6.933159
  O      -5.061281      5.174916      5.733009
  C      -4.580840      5.867596      4.679604
  O      -3.472724      6.374674      4.626098
  C      -5.627887      5.998121      3.598779
  N      -6.885860      5.968059      4.018427
  C      -7.851652      6.178550      3.090622
  N      -7.683666      6.388075      1.797956
  C      -6.397388      6.396719      1.343650
  C      -6.167152      6.590543     -0.039026
  C      -4.880543      6.595324     -0.527405
  C      -3.778767      6.403852      0.341607
  C      -3.965582      6.215885      1.690277
  C      -5.281442      6.208189      2.229298
  C      -1.784241     -1.091478      4.151631
  C      -3.247224     -1.468654      3.882516
  O      -3.843517     -0.581893      2.883684
  C      -4.327931      0.562602      3.344578
  O      -4.435051      0.774927      4.594790
  C      -4.899733      1.482671      2.328510
  N      -5.931242      2.183761      2.789277
  C      -6.596665      2.950229      1.896775
  N      -6.316052      3.100219      0.613949
  C      -5.213141      2.453056      0.146381
  C      -4.833870      2.642737     -1.205603
  C      -3.709242      2.020001     -1.698464
  C      -2.919842      1.192716     -0.863496
  C      -3.265770      0.979075      0.453324
  C      -4.427521      1.591814      0.987580
  C      -3.802059     -0.372724      7.247342
  C      -4.700031      0.125140      8.380066
  O      -5.510414      1.245414      7.952132
  C      -6.623938      0.937798      7.247889
  O      -6.958366     -0.200473      6.965467
  C      -7.404103      2.178949      6.887880
  N      -7.231921      3.223972      7.685579
  C      -7.993003      4.318894      7.436667
  N      -8.892063      4.467666      6.483945
  C      -9.051754      3.419565      5.630137
  C      -9.984361      3.545268      4.570468
  C     -10.164876      2.507078      3.685729
  C      -9.425238      1.308777      3.826391
  C      -8.516450      1.149975      4.850236
  C      -8.309916      2.198735      5.783787
  H      -3.171064      3.787094      8.159915
  H      -4.387104      3.018770      7.117324
  H      -3.516042      5.960258      6.892792
  H      -4.962162      5.325336      7.759766
  H      -8.878278      6.169577      3.469831
  H      -7.035488      6.725603     -0.684942
  H      -4.703559      6.742100     -1.591777
  H      -2.766901      6.406749     -0.065497
  H      -3.117883      6.074825      2.355958
  H      -1.503607     -1.602014      5.098743
  H      -1.154392     -1.529565      3.356141
  H      -3.860829     -1.431415      4.784541
  H      -3.310462     -2.467803      3.444308
  H      -7.469545      3.480873      2.284041
  H      -5.451653      3.297859     -1.820192
  H      -3.415946      2.167565     -2.737869
  H      -2.025675      0.719088     -1.270144
  H      -2.648132      0.345692      1.086263
  H      -4.459118     -0.607979      6.402060
  H      -3.335772     -1.320432      7.585061
  H      -5.353422     -0.689638      8.719824
  H      -4.121455      0.513902      9.227333
  H      -7.842857      5.161077      8.111396
  H     -10.542940      4.477570      4.489434
  H     -10.881791      2.605005      2.869570
  H      -9.579445      0.499501      3.111827
  H      -7.960308      0.222822      4.958874
  N      -2.404940      2.818356      3.607085
  N      -2.331940      3.528811      2.632064
  H      -1.453089      3.465005      2.070466
98
Coordinates from ORCA-job orca E -6706.372119911962
  N      -2.575568      3.477702      6.142435
  Mo     -2.619860      1.722432      5.183467
  N      -2.767708      0.583430      6.845466
  C      -1.572755      0.482917      7.680009
  C      -0.657049      1.674629      7.459113
  N      -0.543873      1.977967      5.998709
  C      -0.187791      3.406678      5.763614
  C      -1.365939      4.278377      6.195296
  C       0.415932      1.059674      5.321979
  C      -0.161462      0.721332      3.950820
  N      -1.536764      0.325121      4.159801
  H      -1.441034      5.166934      5.550708
  H      -1.217684      4.646536      7.221287
  H       0.015651      3.515372      4.693158
  H       0.730505      3.665040      6.313399
  H       0.427351     -0.074766      3.469125
  H      -0.115120      1.609619      3.298423
  H       0.486262      0.143394      5.922099
  H       1.412560      1.523766      5.275562
  H      -1.826229      0.436016      8.754217
  H      -1.044444     -0.467161      7.455433
  H      -1.081068      2.556781      7.949651
  H       0.346578      1.499324      7.879981
  C      -3.584290      3.783758      7.136882
  C      -4.233822      5.152477      6.937981
  O      -5.046018      5.183776      5.746138
  C      -4.572178      5.878576      4.688656
  O      -3.463092      6.370655      4.627038
  C      -5.619726      6.019030      3.607111
  N      -6.882367      5.978822      4.020746
  C      -7.844579      6.179175      3.086621
  N      -7.670366      6.390410      1.794585
  C      -6.382256      6.415833      1.349855
  C      -6.149291      6.616447     -0.028916
  C      -4.856397      6.627297     -0.517941
  C      -3.759778      6.450580      0.358138
  C      -3.958448      6.271465      1.717202
  C      -5.269773      6.239266      2.242391
  C      -1.778092     -1.103857      4.168354
  C      -3.236647     -1.489389      3.875026
  O      -3.843453     -0.596923      2.890584
  C      -4.325351      0.542460      3.358917
  O      -4.421051      0.753141      4.607458
  C      -4.914885      1.459970      2.351073
  N      -5.945863      2.155205      2.833519
  C      -6.625687      2.923417      1.952136
  N      -6.355449      3.085046      0.663600
  C      -5.253093      2.444974      0.176815
  C      -4.883505      2.652627     -1.175173
  C      -3.761403      2.035512     -1.685893
  C      -2.964642      1.196513     -0.868712
  C      -3.299391      0.967968      0.449979
  C      -4.456863      1.577241      1.003038
  C      -3.798033     -0.355317      7.261198
  C      -4.697580      0.156693      8.384009
  O      -5.513792      1.269270      7.935752
  C      -6.624487      0.951150      7.225158
  O      -6.946074     -0.185803      6.940285
  C      -7.415073      2.185489      6.856267
  N      -7.248832      3.241300      7.644180
  C      -8.021391      4.330738      7.392919
  N      -8.924236      4.464414      6.442597
  C      -9.074483      3.404906      5.592973
  C     -10.003793      3.515993      4.528522
  C     -10.164582      2.470610      3.646487
  C      -9.409067      1.278333      3.793534
  C      -8.506284      1.132501      4.822522
  C      -8.318753      2.189698      5.753024
  H      -3.144469      3.779913      8.158178
  H      -4.369779      3.019454      7.122160
  H      -3.491681      5.959659      6.890685
  H      -4.926231      5.328712      7.770395
  H      -8.864833      6.144750      3.449839
  H      -7.015077      6.742145     -0.678184
  H      -4.674139      6.773556     -1.584205
  H      -2.747040      6.465232     -0.045450
  H      -3.116565      6.144855      2.389523
  H      -1.515276     -1.599202      5.126761
  H      -1.134277     -1.553047      3.391806
  H      -3.859799     -1.470792      4.776782
  H      -3.289005     -2.484793      3.412090
  H      -7.496236      3.457118      2.363440
  H      -5.505607      3.318432     -1.773321
  H      -3.474604      2.197418     -2.724420
  H      -2.072575      0.728594     -1.288655
  H      -2.674040      0.329055      1.072081
  H      -4.453137     -0.591542      6.416888
  H      -3.341207     -1.299788      7.606606
  H      -5.350414     -0.659758      8.734553
  H      -4.120045      0.561723      9.228826
  H      -7.880087      5.184044      8.072337
  H     -10.570533      4.445188      4.438927
  H     -10.874434      2.558978      2.819653
  H      -9.543035      0.463372      3.073603
  H      -7.935147      0.210778      4.932520
  N      -2.405984      2.804549      3.602651
  N      -2.349395      3.510471      2.623855
  H      -1.475599      3.451520      2.056734
98
Coordinates from ORCA-job orca E -6706.372682226697
  N      -2.581564      3.476706      6.143182
  Mo     -2.623656      1.721625      5.180148
  N      -2.774517      0.579188      6.839806
  C      -1.579256      0.478929      7.674621
  C      -0.664726      1.671853      7.458119
  N      -0.548697      1.977412      5.999105
  C      -0.192030      3.405844      5.767154
  C      -1.373573      4.279593      6.199382
  C       0.413961      1.061526      5.320631
  C      -0.161967      0.724319      3.947976
  N      -1.538285      0.327008      4.156560
  H      -1.449211      5.169645      5.554088
  H      -1.227893      4.648971      7.229506
  H       0.013428      3.515181      4.694232
  H       0.727563      3.661727      6.320663
  H       0.428272     -0.071365      3.465963
  H      -0.116154      1.613193      3.295635
  H       0.487032      0.144365      5.919813
  H       1.410398      1.527413      5.274262
  H      -1.833748      0.428769      8.748670
  H      -1.048702     -0.469805      7.447377
  H      -1.089461      2.553603      7.950038
  H       0.337239      1.494195      7.880622
  C      -3.594810      3.785033      7.131435
  C      -4.247475      5.151580      6.926514
  O      -5.057552      5.176967      5.732317
  C      -4.580192      5.870093      4.677117
  O      -3.471094      6.372726      4.620518
  C      -5.626382      6.004792      3.593728
  N      -6.885192      5.958930      4.005903
  C      -7.847674      6.160857      3.072718
  N      -7.676466      6.377718      1.782510
  C      -6.389127      6.403590      1.335491
  C      -6.154300      6.604572     -0.047288
  C      -4.866271      6.626727     -0.531293
  C      -3.768946      6.448303      0.344019
  C      -3.962948      6.257731      1.697351
  C      -5.277226      6.227307      2.228044
  C      -1.778265     -1.102854      4.168211
  C      -3.235995     -1.490422      3.867782
  O      -3.839250     -0.596078      2.881515
  C      -4.325096      0.543029      3.350123
  O      -4.423568      0.751117      4.598871
  C      -4.907749      1.463347      2.340257
  N      -5.943267      2.153022      2.808369
  C      -6.613445      2.925381      1.923794
  N      -6.331609      3.094241      0.644656
  C      -5.226203      2.456441      0.169759
  C      -4.847454      2.664283     -1.179020
  C      -3.722685      2.047420     -1.682094
  C      -2.932134      1.209380     -0.858940
  C      -3.276582      0.980012      0.456518
  C      -4.438165      1.586170      0.999809
  C      -3.801140     -0.365301      7.255005
  C      -4.702050      0.142912      8.379352
  O      -5.511552      1.260201      7.941316
  C      -6.625038      0.948216      7.237385
  O      -6.958017     -0.189654      6.957983
  C      -7.408297      2.186439      6.873837
  N      -7.232639      3.237945      7.663328
  C      -7.998498      4.329920      7.415114
  N      -8.905090      4.469694      6.468836
  C      -9.067464      3.414722      5.622251
  C     -10.005697      3.531348      4.567616
  C     -10.184104      2.488102      3.686365
  C      -9.437481      1.293590      3.827689
  C      -8.525241      1.143029      4.850460
  C      -8.319948      2.197172      5.777369
  H      -3.158127      3.787528      8.153220
  H      -4.379364      3.017188      7.117129
  H      -3.504469      5.958446      6.879417
  H      -4.944715      5.329521      7.755994
  H      -8.877155      6.139822      3.446967
  H      -7.019230      6.729537     -0.697994
  H      -4.684913      6.778551     -1.596862
  H      -2.754615      6.464916     -0.060945
  H      -3.119131      6.128768      2.367333
  H      -1.519760     -1.595848      5.130216
  H      -1.129414     -1.551743      3.395983
  H      -3.862056     -1.480021      4.764407
  H      -3.281309     -2.481411      3.402707
  H      -7.488823      3.448564      2.317849
  H      -5.466577      3.327033     -1.783661
  H      -3.430525      2.206975     -2.721097
  H      -2.038024      0.740196     -1.273457
  H      -2.657438      0.339169      1.080851
  H      -4.453567     -0.605906      6.409726
  H      -3.339243     -1.309181      7.601200
  H      -5.356709     -0.669590      8.723235
  H      -4.125447      0.538431      9.225285
  H      -7.845718      5.178628      8.087249
  H     -10.568275      4.461517      4.485517
  H     -10.904079      2.579797      2.873277
  H      -9.589347      0.481399      3.118148
  H      -7.962312      0.219656      4.959452
  N      -2.401309      2.806226      3.603379
  N      -2.338073      3.514866      2.626269
  H      -1.459324      3.460476      2.066096
98
Coordinates from ORCA-job orca E -6706.372471543523
  N      -2.580600      3.482087      6.153665
  Mo     -2.631697      1.729719      5.188724
  N      -2.769692      0.579699      6.846123
  C      -1.568177      0.478083      7.674242
  C      -0.656075      1.673926      7.456594
  N      -0.549035      1.985320      5.997409
  C      -0.196417      3.414762      5.767266
  C      -1.373318      4.283729      6.216734
  C       0.409946      1.072958      5.308791
  C      -0.176001      0.741935      3.936726
  N      -1.551855      0.340745      4.152959
  H      -1.450342      5.189129      5.585098
  H      -1.223990      4.635718      7.257316
  H      -0.002709      3.531951      4.696205
  H       0.726083      3.669157      6.310630
  H       0.412566     -0.050466      3.445226
  H      -0.135868      1.635469      3.287316
  H       0.486500      0.152566      5.905043
  H       1.407451      1.539093      5.257454
  H      -1.817132      0.423554      8.750310
  H      -1.037220     -0.469079      7.440942
  H      -1.080045      2.553035      7.954701
  H       0.348332      1.496182      7.872816
  C      -3.594172      3.787633      7.142395
  C      -4.236170      5.159329      6.947260
  O      -5.037633      5.191874      5.746363
  C      -4.556043      5.886405      4.693850
  O      -3.446752      6.388322      4.638945
  C      -5.603052      6.024178      3.615323
  N      -6.861188      6.000187      4.034875
  C      -7.828693      6.215604      3.108129
  N      -7.661161      6.423780      1.816459
  C      -6.372601      6.425571      1.361432
  C      -6.139484      6.616779     -0.023066
  C      -4.850403      6.618950     -0.509830
  C      -3.748434      6.425335      0.361188
  C      -3.934912      6.233085      1.707353
  C      -5.255020      6.231781      2.246477
  C      -1.790195     -1.091653      4.152089
  C      -3.253251     -1.471283      3.900930
  O      -3.860357     -0.588140      2.906264
  C      -4.342214      0.556329      3.369876
  O      -4.439019      0.770480      4.621540
  C      -4.926553      1.472954      2.358832
  N      -5.954250      2.170579      2.831957
  C      -6.631127      2.936251      1.946601
  N      -6.364560      3.089258      0.659447
  C      -5.265450      2.445247      0.179016
  C      -4.903485      2.634728     -1.180073
  C      -3.784058      2.014193     -1.686317
  C      -2.983681      1.187650     -0.859156
  C      -3.314428      0.971247      0.462384
  C      -4.469526      1.583378      1.011228
  C      -3.795946     -0.365608      7.266177
  C      -4.695722      0.145510      8.391505
  O      -5.507625      1.258781      7.945085
  C      -6.618980      0.938199      7.238184
  O      -6.948615     -0.205705      6.969953
  C      -7.402799      2.173060      6.854547
  N      -7.242965      3.231370      7.640319
  C      -8.008469      4.320568      7.368298
  N      -8.898503      4.452698      6.402744
  C      -9.044613      3.391513      5.562355
  C      -9.963948      3.500275      4.486696
  C     -10.127580      2.449128      3.610752
  C      -9.383848      1.254394      3.776802
  C      -8.487888      1.112153      4.816906
  C      -8.298380      2.174529      5.741056
  H      -3.159619      3.776644      8.167435
  H      -4.382717      3.026113      7.119669
  H      -3.490719      5.963778      6.909993
  H      -4.935768      5.333168      7.775696
  H      -8.854850      6.209550      3.485977
  H      -7.008223      6.755113     -0.670474
  H      -4.671549      6.766699     -1.575209
  H      -2.737337      6.431570     -0.042394
  H      -3.086440      6.090327      2.374938
  H      -1.497989     -1.605051      5.090123
  H      -1.171935     -1.524282      3.347838
  H      -3.855212     -1.430843      4.809955
  H      -3.321245     -2.471798      3.467279
  H      -7.501933      3.461183      2.342956
  H      -5.530329      3.287570     -1.789171
  H      -3.503745      2.161891     -2.730834
  H      -2.093800      0.715851     -1.276397
  H      -2.689037      0.337733      1.088618
  H      -4.453772     -0.607279      6.422682
  H      -3.331335     -1.310766      7.612563
  H      -5.348757     -0.666191      8.739726
  H      -4.119703      0.546804      9.235224
  H      -7.871180      5.173908      8.034617
  H     -10.525355      4.430722      4.385277
  H     -10.832723      2.534120      2.777956
  H      -9.522652      0.434558      3.065136
  H      -7.927026      0.187955      4.942168
  N      -2.426885      2.818790      3.608369
  N      -2.374351      3.531513      2.634110
  H      -1.504737      3.473636      2.057773
98
Coordinates from ORCA-job orca E -6706.372762404148
  N      -2.579694      3.478398      6.150352
  Mo     -2.628669      1.725166      5.185202
  N      -2.772751      0.578305      6.842755
  C      -1.573662      0.476817      7.673234
  C      -0.659629      1.670423      7.456214
  N      -0.548494      1.978879      5.997671
  C      -0.192789      3.407069      5.766324
  C      -1.371674      4.280130      6.209579
  C       0.410725      1.064365      5.312627
  C      -0.171584      0.731825      3.940451
  N      -1.547789      0.334021      4.153371
  H      -1.448165      5.177776      5.571182
  H      -1.223090      4.640846      7.245229
  H       0.004868      3.519207      4.692733
  H       0.730445      3.661633      6.313579
  H       0.416454     -0.062614      3.453022
  H      -0.127811      1.622945      3.290280
  H       0.485424      0.145226      5.909447
  H       1.408101      1.529400      5.263213
  H      -1.824600      0.424299      8.748386
  H      -1.043569     -0.471309      7.442265
  H      -1.082475      2.551234      7.951777
  H       0.343298      1.491221      7.875256
  C      -3.594220      3.786708      7.136808
  C      -4.240284      5.155729      6.936396
  O      -5.044246      5.185173      5.736871
  C      -4.563369      5.880269      4.684452
  O      -3.453424      6.383799      4.630009
  C      -5.610503      6.016005      3.603816
  N      -6.868836      5.983265      4.023122
  C      -7.836028      6.191944      3.096539
  N      -7.668571      6.401055      1.804162
  C      -6.381758      6.415253      1.350635
  C      -6.151135      6.611143     -0.033103
  C      -4.863772      6.624744     -0.521913
  C      -3.763981      6.443682      0.350696
  C      -3.953054      6.255450      1.703245
  C      -5.266068      6.233243      2.237784
  C      -1.787665     -1.096741      4.154093
  C      -3.249954     -1.478025      3.887623
  O      -3.857612     -0.590349      2.897006
  C      -4.338688      0.552981      3.362817
  O      -4.434919      0.765106      4.613729
  C      -4.917829      1.473704      2.351925
  N      -5.946169      2.174100      2.821706
  C      -6.614478      2.946282      1.935789
  N      -6.338592      3.103643      0.652506
  C      -5.239309      2.456129      0.175977
  C      -4.866014      2.652172     -1.176842
  C      -3.745532      2.028556     -1.679475
  C      -2.954636      1.193858     -0.853253
  C      -3.295179      0.973697      0.464728
  C      -4.452152      1.587641      1.008702
  C      -3.799549     -0.365201      7.262424
  C      -4.699852      0.148143      8.385388
  O      -5.510212      1.261502      7.939159
  C      -6.621645      0.943416      7.235803
  O      -6.953090     -0.197899      6.967062
  C      -7.403784      2.178482      6.857532
  N      -7.231339      3.237773      7.636010
  C      -7.995511      4.328172      7.371736
  N      -8.896791      4.459987      6.420989
  C      -9.055006      3.397016      5.584395
  C      -9.985904      3.505104      4.521263
  C     -10.161742      2.452499      3.651145
  C      -9.419232      1.257080      3.811640
  C      -8.512705      1.115403      4.840053
  C      -8.310345      2.179194      5.756697
  H      -3.160159      3.782776      8.160258
  H      -4.381558      3.022975      7.117103
  H      -3.494732      5.960877      6.896899
  H      -4.941383      5.331118      7.764534
  H      -8.861347      6.177480      3.473681
  H      -7.018565      6.740373     -0.680641
  H      -4.685270      6.773438     -1.588564
  H      -2.752256      6.457142     -0.055871
  H      -3.106571      6.123747      2.371512
  H      -1.504637     -1.603672      5.100205
  H      -1.160016     -1.534629      3.358746
  H      -3.859289     -1.448573      4.793569
  H      -3.309974     -2.474908      3.441948
  H      -7.484534      3.477303      2.330560
  H      -5.485047      3.312519     -1.784414
  H      -3.456773      2.180806     -2.719865
  H      -2.063549      0.719847     -1.267322
  H      -2.676149      0.335059      1.091284
  H      -4.454414     -0.608571      6.418266
  H      -3.336826     -1.309146      7.611431
  H      -5.353185     -0.662901      8.734871
  H      -4.123317      0.549964      9.228417
  H      -7.849076      5.183452      8.040823
  H     -10.545689      4.436177      4.423958
  H     -10.875984      2.537288      2.829418
  H      -9.567761      0.436495      3.106386
  H      -7.952761      0.191077      4.961925
  N      -2.415756      2.813471      3.608441
  N      -2.359331      3.525801      2.633970
  H      -1.486250      3.470215      2.063517
98
Coordinates from ORCA-job orca E -6706.372615152876
  N      -2.574624      3.477995      6.141828
  Mo     -2.622839      1.720861      5.184372
  N      -2.769940      0.580115      6.845602
  C      -1.572667      0.478923      7.677058
  C      -0.657285      1.670452      7.457267
  N      -0.544186      1.975679      5.997446
  C      -0.186419      3.404091      5.764616
  C      -1.364959      4.277263      6.195857
  C       0.415186      1.058577      5.316705
  C      -0.163944      0.724045      3.945183
  N      -1.539736      0.327698      4.157390
  H      -1.439655      5.164931      5.552107
  H      -1.216478      4.644807      7.222875
  H       0.018646      3.512629      4.692635
  H       0.732651      3.660610      6.317184
  H       0.424069     -0.071780      3.460865
  H      -0.118945      1.613539      3.293846
  H       0.486954      0.140792      5.914397
  H       1.412081      1.522562      5.269173
  H      -1.824278      0.430037      8.751764
  H      -1.044161     -0.470490      7.449113
  H      -1.080509      2.552543      7.949669
  H       0.345697      1.492477      7.877817
  C      -3.585270      3.788147      7.133366
  C      -4.233747      5.158302      6.929453
  O      -5.045204      5.186584      5.738183
  C      -4.566144      5.879426      4.683697
  O      -3.454763      6.372927      4.626820
  C      -5.611053      6.021067      3.599521
  N      -6.870161      5.976935      4.009330
  C      -7.829581      6.176691      3.071136
  N      -7.656099      6.392300      1.780763
  C      -6.369160      6.419529      1.337754
  C      -6.134105      6.625438     -0.041930
  C      -4.844392      6.648965     -0.523724
  C      -3.744085      6.463551      0.348679
  C      -3.939875      6.269013      1.701291
  C      -5.257748      6.241281      2.231983
  C      -1.779699     -1.102473      4.166030
  C      -3.238912     -1.490922      3.875860
  O      -3.849895     -0.597028      2.895581
  C      -4.334773      0.540817      3.367954
  O      -4.426181      0.747911      4.616018
  C      -4.924513      1.461391      2.363515
  N      -5.956155      2.150450      2.839947
  C      -6.630998      2.925808      1.960637
  N      -6.355840      3.099920      0.679792
  C      -5.254165      2.462319      0.196737
  C      -4.883708      2.673569     -1.154902
  C      -3.763901      2.055090     -1.668036
  C      -2.970118      1.212414     -0.851448
  C      -3.306965      0.979368      0.466949
  C      -4.463330      1.586831      1.019733
  C      -3.797861     -0.359894      7.267953
  C      -4.699478      0.157991      8.387452
  O      -5.513910      1.268512      7.936796
  C      -6.628567      0.946354      7.235830
  O      -6.958475     -0.193991      6.967771
  C      -7.414335      2.178973      6.856424
  N      -7.238640      3.241618      7.631595
  C      -8.004308      4.330062      7.366315
  N      -8.908477      4.457011      6.412011
  C      -9.069934      3.390248      5.579134
  C     -10.003870      3.493468      4.519392
  C     -10.177754      2.438758      3.649635
  C      -9.431182      1.245660      3.807869
  C      -8.524257      1.108104      4.838068
  C      -8.323538      2.174546      5.754617
  H      -3.146411      3.786415      8.154484
  H      -4.373132      3.024040      7.120607
  H      -3.488811      5.962045      6.879532
  H      -4.928135      5.340622      7.759105
  H      -8.861493      6.159000      3.444631
  H      -6.999834      6.754239     -0.692065
  H      -4.663440      6.807276     -1.585821
  H      -2.726445      6.480308     -0.056701
  H      -3.094385      6.136057      2.370016
  H      -1.512041     -1.596845      5.125028
  H      -1.136473     -1.548424      3.386530
  H      -3.858877     -1.480171      4.777576
  H      -3.286424     -2.483203      3.409448
  H      -7.503590      3.448440      2.362221
  H      -5.505757      3.339030     -1.754304
  H      -3.478410      2.216410     -2.710088
  H      -2.079886      0.742011     -1.273664
  H      -2.685521      0.334415      1.085815
  H      -4.450087     -0.607506      6.424679
  H      -3.336474     -1.300314      7.622017
  H      -5.351920     -0.653974      8.741783
  H      -4.121828      0.564957      9.228751
  H      -7.849222      5.188221      8.020864
  H     -10.566013      4.423035      4.424341
  H     -10.894053      2.520698      2.835415
  H      -9.578640      0.424954      3.108749
  H      -7.959971      0.186573      4.960998
  N      -2.414027      2.808740      3.604070
  N      -2.367090      3.521056      2.628594
  H      -1.495116      3.473653      2.058098
98
Coordinates from ORCA-job orca E -6706.372841580895
  N      -2.575931      3.476465      6.146572
  Mo     -2.625992      1.720464      5.186381
  N      -2.770591      0.577407      6.845987
  C      -1.571462      0.476315      7.675851
  C      -0.656508      1.668556      7.455514
  N      -0.546000      1.974863      5.996161
  C      -0.189234      3.403092      5.763346
  C      -1.366708      4.276933      6.203839
  C       0.412331      1.058974      5.312359
  C      -0.170047      0.725875      3.941280
  N      -1.545771      0.328968      4.155800
  H      -1.441737      5.173279      5.564257
  H      -1.217705      4.638770      7.237420
  H       0.009819      3.513731      4.690384
  H       0.732885      3.657816      6.311214
  H       0.417080     -0.069443      3.454859
  H      -0.126363      1.616282      3.290283
  H       0.486145      0.140304      5.909498
  H       1.409402      1.523488      5.262776
  H      -1.821498      0.426519      8.751125
  H      -1.042804     -0.472981      7.446602
  H      -1.078441      2.550484      7.949367
  H       0.346785      1.489745      7.874359
  C      -3.589267      3.787843      7.133449
  C      -4.231398      5.159084      6.931770
  O      -5.038021      5.192464      5.735143
  C      -4.557987      5.888103      4.681803
  O      -3.446884      6.384578      4.625044
  C      -5.605460      6.029408      3.601033
  N      -6.863464      5.991297      4.016956
  C      -7.828873      6.195602      3.087204
  N      -7.660876      6.406843      1.796073
  C      -6.373674      6.426648      1.345109
  C      -6.141077      6.624064     -0.039528
  C      -4.853259      6.644974     -0.526334
  C      -3.753887      6.467480      0.347376
  C      -3.943631      6.274995      1.699437
  C      -5.258446      6.247989      2.233954
  C      -1.785885     -1.101716      4.159484
  C      -3.247926     -1.486817      3.887372
  O      -3.860216     -0.596642      2.902584
  C      -4.341294      0.544738      3.372088
  O      -4.432059      0.754388      4.622094
  C      -4.925901      1.466447      2.365272
  N      -5.953195      2.164370      2.841084
  C      -6.623048      2.942209      1.960937
  N      -6.348201      3.109107      0.679067
  C      -5.250505      2.462976      0.196351
  C      -4.878795      2.668757     -1.154674
  C      -3.760481      2.045900     -1.664434
  C      -2.970184      1.202700     -0.846473
  C      -3.309075      0.973492      0.470341
  C      -4.463464      1.586680      1.021263
  C      -3.798229     -0.362926      7.269841
  C      -4.699861      0.157346      8.388472
  O      -5.511100      1.267471      7.935055
  C      -6.624377      0.943452      7.235159
  O      -6.956679     -0.199859      6.975106
  C      -7.407279      2.175620      6.848272
  N      -7.232495      3.241924      7.619535
  C      -7.996479      4.330147      7.348780
  N      -8.898945      4.453982      6.395618
  C      -9.059680      3.383736      5.567487
  C      -9.990923      3.483680      4.503726
  C     -10.167588      2.424656      3.641062
  C      -9.425738      1.230598      3.810182
  C      -8.519692      1.096529      4.840723
  C      -8.316010      2.167256      5.749029
  H      -3.154539      3.783445      8.156506
  H      -4.379210      3.026120      7.114844
  H      -3.483489      5.961454      6.889188
  H      -4.928965      5.338557      7.760531
  H      -8.855656      6.178301      3.463192
  H      -7.007794      6.750451     -0.688432
  H      -4.674001      6.797521     -1.592498
  H      -2.742347      6.488740     -0.057498
  H      -3.097817      6.147615      2.368383
  H      -1.505536     -1.603924      5.110044
  H      -1.153987     -1.541588      3.368368
  H      -3.858867     -1.466288      4.793712
  H      -3.303279     -2.481691      3.432320
  H      -7.492013      3.472162      2.361477
  H      -5.497610      3.335421     -1.755336
  H      -3.473219      2.204874     -2.704312
  H      -2.080864      0.729238     -1.265957
  H      -2.690223      0.328550      1.090670
  H      -4.451339     -0.611845      6.426750
  H      -3.336096     -1.303818      7.625019
  H      -5.353103     -0.651821      8.742639
  H      -4.123725      0.564573      9.229310
  H      -7.843748      5.190995      8.002878
  H     -10.549641      4.414088      4.399429
  H     -10.881448      2.503621      2.818373
  H      -9.574646      0.405529      3.112653
  H      -7.959398      0.173826      4.969505
  N      -2.417315      2.808087      3.607729
  N      -2.370230      3.521776      2.633838
  H      -1.500017      3.471704      2.059583
98
Coordinates from ORCA-job orca E -6706.372806419397
  N      -2.573759      3.478665      6.151902
  Mo     -2.630540      1.724002      5.190829
  N      -2.770350      0.577619      6.849172
  C      -1.568183      0.474735      7.675608
  C      -0.652501      1.666551      7.455998
  N      -0.544229      1.975588      5.996853
  C      -0.186756      3.403226      5.765483
  C      -1.364593      4.277600      6.207990
  C       0.411228      1.060568      5.306992
  C      -0.177045      0.731225      3.935874
  N      -1.553104      0.334846      4.154262
  H      -1.440989      5.172303      5.568771
  H      -1.213687      4.639176      7.241819
  H       0.011354      3.514417      4.691221
  H       0.736998      3.657352      6.313366
  H       0.407859     -0.063557      3.444888
  H      -0.134754      1.623163      3.286449
  H       0.486696      0.140271      5.902211
  H       1.409530      1.524251      5.254348
  H      -1.815498      0.422390      8.751895
  H      -1.040293     -0.473995      7.442607
  H      -1.072735      2.547897      7.953294
  H       0.351312      1.485206      7.873118
  C      -3.587041      3.791465      7.138409
  C      -4.225335      5.164298      6.937636
  O      -5.027776      5.196459      5.737053
  C      -4.542796      5.886813      4.685595
  O      -3.429620      6.385549      4.631059
  C      -5.589980      6.025707      3.605903
  N      -6.848095      5.996716      4.028939
  C      -7.816975      6.204911      3.103846
  N      -7.650662      6.410171      1.809106
  C      -6.365194      6.425693      1.354140
  C      -6.139654      6.628444     -0.026513
  C      -4.853022      6.647006     -0.516969
  C      -3.749200      6.463662      0.351180
  C      -3.934875      6.269555      1.702513
  C      -5.247508      6.243903      2.239229
  C      -1.794134     -1.096243      4.152419
  C      -3.257507     -1.477991      3.897674
  O      -3.872211     -0.590603      2.911209
  C      -4.351635      0.552578      3.380950
  O      -4.440760      0.763536      4.632984
  C      -4.934041      1.475610      2.374774
  N      -5.957748      2.177611      2.850384
  C      -6.626048      2.955803      1.969235
  N      -6.354167      3.117594      0.685243
  C      -5.259300      2.468015      0.203013
  C      -4.891390      2.666262     -1.152099
  C      -3.775474      2.040567     -1.661387
  C      -2.984394      1.200972     -0.839692
  C      -3.321067      0.976761      0.479478
  C      -4.473078      1.592744      1.030082
  C      -3.797811     -0.362882      7.275876
  C      -4.700554      0.161213      8.391878
  O      -5.510824      1.268986      7.931672
  C      -6.621845      0.941298      7.232045
  O      -6.953485     -0.204120      6.980299
  C      -7.402534      2.171551      6.833133
  N      -7.223593      3.244936      7.588560
  C      -7.984349      4.332914      7.301988
  N      -8.887103      4.450405      6.351141
  C      -9.051263      3.372499      5.537096
  C      -9.981468      3.465182      4.471839
  C     -10.162173      2.396825      3.622474
  C      -9.424635      1.200680      3.804856
  C      -8.518727      1.074305      4.835989
  C      -8.311737      2.154702      5.733457
  H      -3.153077      3.784084      8.162205
  H      -4.378806      3.032512      7.118422
  H      -3.475408      5.965055      6.898307
  H      -4.925940      5.344254      7.765308
  H      -8.841569      6.191788      3.483084
  H      -7.009339      6.759616     -0.671210
  H      -4.677244      6.801334     -1.582624
  H      -2.735091      6.479653     -0.059419
  H      -3.085259      6.137970      2.367962
  H      -1.501961     -1.604177      5.094181
  H      -1.173634     -1.530941      3.350395
  H      -3.859387     -1.448882      4.808038
  H      -3.318380     -2.474524      3.452769
  H      -7.492861      3.486895      2.367540
  H      -5.510792      3.330025     -1.756096
  H      -3.490876      2.194303     -2.703890
  H      -2.096640      0.725729     -1.258467
  H      -2.702185      0.333485      1.101740
  H      -4.451081     -0.615249      6.432699
  H      -3.334623     -1.303273      7.634573
  H      -5.353564     -0.646661      8.748678
  H      -4.125464      0.572416      9.231395
  H      -7.835035      5.200955      7.958759
  H     -10.537004      4.397350      4.356434
  H     -10.876016      2.469912      2.800696
  H      -9.575336      0.367278      3.113362
  H      -7.961614      0.149955      4.974615
  N      -2.429854      2.816534      3.612837
  N      -2.388096      3.533939      2.641368
  H      -1.521006      3.486258      2.060731
98
Coordinates from ORCA-job orca E -6706.372934558071
  N      -2.569399      3.477283      6.152866
  Mo     -2.629529      1.721910      5.192731
  N      -2.767337      0.576807      6.851288
  C      -1.564470      0.473524      7.675975
  C      -0.648542      1.664509      7.453252
  N      -0.543649      1.972277      5.994062
  C      -0.185637      3.399508      5.761007
  C      -1.358886      4.274705      6.210680
  C       0.409556      1.056214      5.303626
  C      -0.179858      0.729075      3.933494
  N      -1.555336      0.333319      4.153304
  H      -1.434083      5.175094      5.576297
  H      -1.205301      4.630182      7.247224
  H       0.006486      3.510684      4.686941
  H       0.740324      3.652632      6.303407
  H       0.403819     -0.065492      3.441063
  H      -0.137986      1.621767      3.285254
  H       0.483617      0.135480      5.897823
  H       1.407917      1.518243      5.251107
  H      -1.810360      0.423150      8.752315
  H      -1.038051     -0.476146      7.443655
  H      -1.067108      2.546473      7.950271
  H       0.355937      1.483280      7.867993
  C      -3.583993      3.791358      7.137592
  C      -4.219101      5.166167      6.938535
  O      -5.020929      5.203536      5.738462
  C      -4.537372      5.898862      4.687926
  O      -3.424726      6.395278      4.632985
  C      -5.585863      6.042612      3.609554
  N      -6.842687      6.013121      4.031519
  C      -7.812118      6.219921      3.106859
  N      -7.648286      6.424730      1.814066
  C      -6.362778      6.438997      1.358181
  C      -6.136300      6.635314     -0.025648
  C      -4.849606      6.653561     -0.517729
  C      -3.746905      6.476505      0.352249
  C      -3.932948      6.286910      1.706054
  C      -5.244615      6.259881      2.243095
  C      -1.796289     -1.097672      4.146741
  C      -3.262206     -1.477905      3.905979
  O      -3.882201     -0.592719      2.921133
  C      -4.356885      0.552773      3.390105
  O      -4.442509      0.765418      4.641801
  C      -4.939297      1.476358      2.384525
  N      -5.959002      2.183437      2.863189
  C      -6.626402      2.964262      1.983943
  N      -6.356320      3.125347      0.699732
  C      -5.265436      2.470286      0.214012
  C      -4.898719      2.668507     -1.140532
  C      -3.786478      2.037407     -1.652907
  C      -2.997701      1.192707     -0.834795
  C      -3.332778      0.969350      0.484505
  C      -4.481168      1.590962      1.038358
  C      -3.796260     -0.359478      7.281887
  C      -4.698291      0.170189      8.396043
  O      -5.512015      1.273471      7.929564
  C      -6.623820      0.940666      7.232304
  O      -6.953586     -0.205489      6.986024
  C      -7.405867      2.167291      6.826508
  N      -7.229825      3.246164      7.577378
  C      -7.990787      4.331774      7.284986
  N      -8.889929      4.442161      6.327923
  C      -9.050373      3.358684      5.517588
  C      -9.975467      3.444623      4.446711
  C     -10.151647      2.371492      3.600938
  C      -9.415415      1.177035      3.794401
  C      -8.514768      1.056906      4.831522
  C      -8.311524      2.142508      5.723669
  H      -3.151966      3.781288      8.162169
  H      -4.377941      3.034178      7.114654
  H      -3.467760      5.965997      6.901124
  H      -4.919901      5.345912      7.765846
  H      -8.838683      6.211689      3.489247
  H      -7.005773      6.763191     -0.670763
  H      -4.674313      6.805453     -1.584025
  H      -2.735346      6.496270     -0.057261
  H      -3.084518      6.160695      2.373005
  H      -1.492707     -1.611722      5.082884
  H      -1.184390     -1.527678      3.334661
  H      -3.856674     -1.443510      4.821552
  H      -3.329434     -2.476861      3.464825
  H      -7.489697      3.501132      2.386370
  H      -5.515906      3.336760     -1.741474
  H      -3.502802      2.191107     -2.694877
  H      -2.112828      0.713145     -1.256158
  H      -2.715359      0.322731      1.104633
  H      -4.450323     -0.613833      6.440609
  H      -3.334881     -1.298518      7.643593
  H      -5.349769     -0.636887      8.759619
  H      -4.122315      0.588093      9.232066
  H      -7.839679      5.203844      7.927245
  H     -10.530196      4.375897      4.324133
  H     -10.861395      2.439754      2.775741
  H      -9.563852      0.340591      3.110485
  H      -7.958737      0.133971      4.979241
  N      -2.433596      2.813840      3.613904
  N      -2.398540      3.532975      2.643767
  H      -1.535624      3.485898      2.057658
98
Coordinates from ORCA-job orca E -6706.372853354590
  N      -2.568292      3.471920      6.143905
  Mo     -2.626243      1.712120      5.191392
  N      -2.766394      0.572552      6.853213
  C      -1.563961      0.472871      7.678615
  C      -0.647414      1.662541      7.451399
  N      -0.541189      1.966543      5.991302
  C      -0.182897      3.394034      5.754939
  C      -1.357443      4.269878      6.197525
  C       0.412781      1.049086      5.304088
  C      -0.174961      0.719209      3.935251
  N      -1.550087      0.323996      4.156050
  H      -1.431362      5.165713      5.558394
  H      -1.205141      4.630793      7.229750
  H       0.012851      3.502629      4.680108
  H       0.741733      3.648114      6.299818
  H       0.408660     -0.076919      3.446434
  H      -0.132942      1.609799      3.284673
  H       0.486937      0.129682      5.899677
  H       1.410182      1.511919      5.251076
  H      -1.809759      0.427470      8.754947
  H      -1.038093     -0.478286      7.450612
  H      -1.065512      2.546376      7.944847
  H       0.356805      1.482027      7.867743
  C      -3.580840      3.789972      7.129484
  C      -4.211919      5.167047      6.926066
  O      -5.018460      5.208563      5.731192
  C      -4.534687      5.910228      4.680292
  O      -3.419659      6.397309      4.625021
  C      -5.580761      6.061920      3.598036
  N      -6.838437      6.022311      4.011736
  C      -7.802455      6.221610      3.079595
  N      -7.633832      6.430024      1.787570
  C      -6.345696      6.454836      1.338212
  C      -6.110247      6.653280     -0.049376
  C      -4.823082      6.688300     -0.532558
  C      -3.722394      6.515357      0.340927
  C      -3.910826      6.312666      1.690546
  C      -5.229904      6.280067      2.227856
  C      -1.789708     -1.107116      4.158698
  C      -3.253805     -1.495410      3.897775
  O      -3.878722     -0.603891      2.922749
  C      -4.357605      0.534830      3.400055
  O      -4.435679      0.739208      4.650341
  C      -4.949308      1.460939      2.402296
  N      -5.969994      2.159888      2.889434
  C      -6.638453      2.951950      2.020223
  N      -6.366925      3.133733      0.740452
  C      -5.276220      2.485022      0.246317
  C      -4.908016      2.705971     -1.101930
  C      -3.796571      2.080851     -1.624593
  C      -3.010037      1.220312     -0.821518
  C      -3.345990      0.976538      0.493646
  C      -4.492949      1.591920      1.057272
  C      -3.794903     -0.360347      7.291580
  C      -4.699875      0.183546      8.395787
  O      -5.510929      1.282476      7.916310
  C      -6.627003      0.941476      7.228664
  O      -6.962375     -0.207714      7.001509
  C      -7.408723      2.163496      6.811292
  N      -7.221489      3.252824      7.548270
  C      -7.981644      4.335642      7.251557
  N      -8.889710      4.434367      6.300379
  C      -9.062504      3.339775      5.507324
  C      -9.996283      3.413864      4.446257
  C     -10.184269      2.330470      3.618236
  C      -9.451346      1.137329      3.822248
  C      -8.543486      1.028962      4.853040
  C      -8.326969      2.125231      5.723383
  H      -3.146876      3.782433      8.152342
  H      -4.377608      3.034289      7.111021
  H      -3.457888      5.962509      6.882415
  H      -4.907077      5.353551      7.754028
  H      -8.825023      6.195681      3.450601
  H      -6.976986      6.777260     -0.699083
  H      -4.645031      6.850673     -1.595956
  H      -2.712800      6.553473     -0.060345
  H      -3.063939      6.191622      2.359653
  H      -1.498885     -1.607630      5.107427
  H      -1.163136     -1.544115      3.361648
  H      -3.856457     -1.482106      4.810528
  H      -3.307890     -2.488907      3.436039
  H      -7.502039      3.482506      2.429265
  H      -5.524283      3.385274     -1.690879
  H      -3.512279      2.250927     -2.663229
  H      -2.125805      0.744926     -1.250842
  H      -2.729740      0.318557      1.102762
  H      -4.443903     -0.628741      6.451438
  H      -3.333026     -1.292568      7.667532
  H      -5.352714     -0.618193      8.766586
  H      -4.124932      0.609786      9.228197
  H      -7.817831      5.216162      7.877877
  H     -10.546414      4.344701      4.312945
  H     -10.898241      2.389665      2.791748
  H      -9.606238      0.292359      3.148024
  H      -7.987754      0.107921      5.006007
  N      -2.434874      2.803753      3.610078
  N      -2.413855      3.524908      2.640956
  H      -1.554017      3.488777      2.050840
98
Coordinates from ORCA-job orca E -6706.373075876827
  N      -2.563044      3.473326      6.149793
  Mo     -2.629233      1.713905      5.197273
  N      -2.764474      0.572902      6.858314
  C      -1.558846      0.470524      7.679320
  C      -0.641319      1.659017      7.450125
  N      -0.540335      1.964294      5.989753
  C      -0.180611      3.391020      5.753614
  C      -1.350826      4.268040      6.204232
  C       0.409543      1.046540      5.297379
  C      -0.184004      0.721420      3.929460
  N      -1.558886      0.327064      4.154713
  H      -1.424670      5.167817      5.569969
  H      -1.194630      4.623151      7.238464
  H       0.009181      3.500566      4.678776
  H       0.746843      3.642902      6.293612
  H       0.396780     -0.073833      3.435528
  H      -0.143808      1.614128      3.281095
  H       0.483587      0.125533      5.890910
  H       1.408020      1.507233      5.242156
  H      -1.801129      0.424165      8.756581
  H      -1.035054     -0.480890      7.448297
  H      -1.056615      2.542785      7.946326
  H       0.364388      1.476643      7.862424
  C      -3.576839      3.795503      7.131499
  C      -4.199441      5.174902      6.929334
  O      -5.001237      5.220367      5.729913
  C      -4.515335      5.916672      4.680223
  O      -3.399392      6.402167      4.624109
  C      -5.564430      6.070131      3.602362
  N      -6.821294      6.038990      4.023731
  C      -7.790559      6.241496      3.097857
  N      -7.626799      6.444902      1.804242
  C      -6.341399      6.465269      1.349734
  C      -6.114958      6.664439     -0.035145
  C      -4.829015      6.694762     -0.525411
  C      -3.725620      6.523764      0.345066
  C      -3.909349      6.325345      1.696702
  C      -5.222153      6.289872      2.234718
  C      -1.800092     -1.104145      4.150210
  C      -3.267190     -1.488573      3.913199
  O      -3.897120     -0.600907      2.937598
  C      -4.370069      0.542227      3.413616
  O      -4.444949      0.750476      4.665542
  C      -4.959153      1.469447      2.415719
  N      -5.973642      2.177183      2.904715
  C      -6.639572      2.970732      2.035381
  N      -6.371210      3.145971      0.753133
  C      -5.285944      2.488967      0.257096
  C      -4.920637      2.702720     -1.093979
  C      -3.813643      2.070655     -1.617149
  C      -3.029226      1.209320     -0.812816
  C      -3.363327      0.970923      0.503679
  C      -4.505617      1.594008      1.068570
  C      -3.794065     -0.357477      7.300845
  C      -4.698883      0.189835      8.404207
  O      -5.511355      1.284817      7.918453
  C      -6.626386      0.937561      7.231316
  O      -6.960342     -0.214780      7.013519
  C      -7.407643      2.156075      6.799780
  N      -7.222839      3.253474      7.524484
  C      -7.980803      4.333964      7.209822
  N      -8.884146      4.423565      6.253509
  C      -9.053666      3.320851      5.471485
  C      -9.979846      3.385461      4.400096
  C     -10.163966      2.293545      3.581432
  C      -9.434158      1.100828      3.802639
  C      -8.532697      1.001387      4.840714
  C      -8.320553      2.107030      5.704617
  H      -3.146211      3.783662      8.156219
  H      -4.377551      3.044988      7.108275
  H      -3.440825      5.967632      6.891571
  H      -4.897831      5.361855      7.755756
  H      -8.815996      6.228023      3.478883
  H      -6.983927      6.787769     -0.681543
  H      -4.652789      6.850739     -1.593600
  H      -2.714222      6.556012     -0.063714
  H      -3.059901      6.205369      2.363105
  H      -1.492080     -1.613999      5.087626
  H      -1.189329     -1.533950      3.337365
  H      -3.857369     -1.463975      4.832790
  H      -3.331330     -2.485330      3.462700
  H      -7.498719      3.508066      2.446009
  H      -5.534890      3.383191     -1.683831
  H      -3.531185      2.235962     -2.657128
  H      -2.148389      0.728849     -1.242304
  H      -2.748921      0.311820      1.113352
  H      -4.445010     -0.627414      6.462430
  H      -3.332106     -1.289289      7.678624
  H      -5.350962     -0.610280      8.779064
  H      -4.124546      0.620510      9.234095
  H      -7.819153      5.221208      7.825139
  H     -10.528008      4.316429      4.253887
  H     -10.872969      2.345651      2.751426
  H      -9.586879      0.249400      3.138104
  H      -7.979458      0.080557      5.007213
  N      -2.445114      2.807396      3.615889
  N      -2.431487      3.532897      2.650079
  H      -1.577119      3.497438      2.051080
98
Coordinates from ORCA-job orca E -6706.373081533354
  N      -2.557158      3.473160      6.152013
  Mo     -2.633030      1.714790      5.199184
  N      -2.761617      0.572819      6.859442
  C      -1.553018      0.470394      7.676387
  C      -0.634756      1.657794      7.444169
  N      -0.538518      1.962886      5.984423
  C      -0.178269      3.388018      5.746167
  C      -1.344336      4.266421      6.207388
  C       0.406713      1.044817      5.286704
  C      -0.193334      0.724233      3.919552
  N      -1.567910      0.330882      4.149615
  H      -1.418884      5.171477      5.578123
  H      -1.183415      4.615248      7.246765
  H       0.002500      3.496932      4.669540
  H       0.754158      3.639449      6.278693
  H       0.384489     -0.070582      3.420354
  H      -0.155197      1.618702      3.273383
  H       0.481438      0.122281      5.878183
  H       1.406390      1.503407      5.228257
  H      -1.792137      0.425285      8.754561
  H      -1.030887     -0.481731      7.444294
  H      -1.046666      2.542168      7.942486
  H       0.371316      1.473309      7.853297
  C      -3.572526      3.794938      7.134664
  C      -4.190858      5.179344      6.938749
  O      -4.987807      5.229304      5.737115
  C      -4.498714      5.928697      4.691715
  O      -3.381615      6.418313      4.638994
  C      -5.547623      6.082942      3.615817
  N      -6.801639      6.058861      4.041344
  C      -7.774256      6.263401      3.120480
  N      -7.615135      6.461423      1.826355
  C      -6.330760      6.474195      1.366249
  C      -6.108788      6.670724     -0.018491
  C      -4.822191      6.695216     -0.514940
  C      -3.715592      6.524331      0.351475
  C      -3.898177      6.331825      1.706824
  C      -5.209553      6.298824      2.247921
  C      -1.808234     -1.100981      4.137278
  C      -3.277253     -1.481959      3.928988
  O      -3.913223     -0.599093      2.952104
  C      -4.381594      0.547719      3.427336
  O      -4.453338      0.757947      4.681357
  C      -4.967001      1.476534      2.429915
  N      -5.975504      2.192201      2.919066
  C      -6.636831      2.988756      2.049153
  N      -6.370221      3.158864      0.765419
  C      -5.290492      2.493719      0.268899
  C      -4.927654      2.699226     -1.086229
  C      -3.824749      2.060528     -1.609208
  C      -3.042656      1.199404     -0.801724
  C      -3.376034      0.966421      0.516857
  C      -4.514479      1.596491      1.082027
  C      -3.792522     -0.352269      7.309249
  C      -4.698207      0.206625      8.406166
  O      -5.514312      1.293181      7.906344
  C      -6.629022      0.939369      7.224550
  O      -6.958540     -0.212933      7.017557
  C      -7.411007      2.151682      6.780419
  N      -7.221133      3.260491      7.481826
  C      -7.977060      4.338467      7.150054
  N      -8.880765      4.415490      6.194788
  C      -9.053311      3.300198      5.431185
  C      -9.976921      3.351654      4.357140
  C     -10.162646      2.246204      3.554430
  C      -9.437957      1.053146      3.796618
  C      -8.539023      0.967229      4.839063
  C      -8.324519      2.086907      5.685986
  H      -3.143933      3.775675      8.161247
  H      -4.376110      3.047099      7.107074
  H      -3.431324      5.970636      6.905602
  H      -4.891418      5.364282      7.764964
  H      -8.798559      6.258032      3.506662
  H      -6.981952      6.799383     -0.659092
  H      -4.653532      6.856148     -1.576679
  H      -2.707113      6.559085     -0.058081
  H      -3.047639      6.215005      2.373590
  H      -1.479065     -1.620847      5.061448
  H      -1.215182     -1.521801      3.306374
  H      -3.852282     -1.444945      4.856341
  H      -3.350423     -2.482196      3.492940
  H      -7.490786      3.533487      2.460218
  H      -5.539871      3.379276     -1.679264
  H      -3.543786      2.220463     -2.651420
  H      -2.164545      0.714255     -1.230689
  H      -2.763976      0.306280      1.128033
  H      -4.442672     -0.629751      6.472292
  H      -3.332288     -1.280949      7.696311
  H      -5.347780     -0.591645      8.792981
  H      -4.123368      0.650332      9.229801
  H      -7.815677      5.236740      7.754311
  H     -10.521436      4.283864      4.196782
  H     -10.870979      2.288680      2.729872
  H      -9.592896      0.191198      3.148227
  H      -7.990031      0.046501      5.023551
  N      -2.461806      2.811883      3.617507
  N      -2.458835      3.541957      2.655661
  H      -1.611137      3.509310      2.046612
98
Coordinates from ORCA-job orca E -6706.373208671877
  N      -2.553054      3.471713      6.152887
  Mo     -2.634068      1.711607      5.203207
  N      -2.759690      0.570807      6.864350
  C      -1.548620      0.467363      7.677831
  C      -0.629222      1.652947      7.442150
  N      -0.537322      1.957915      5.981676
  C      -0.175826      3.382842      5.742431
  C      -1.338867      4.262290      6.206382
  C       0.405168      1.039096      5.281119
  C      -0.198286      0.721833      3.915277
  N      -1.572502      0.329120      4.148707
  H      -1.412859      5.167077      5.578640
  H      -1.175261      4.609500      7.243978
  H       0.001833      3.491750      4.665399
  H       0.758284      3.632424      6.272384
  H       0.377390     -0.072469      3.413308
  H      -0.161506      1.617317      3.270540
  H       0.479304      0.115719      5.871070
  H       1.405269      1.496128      5.221392
  H      -1.784871      0.423616      8.756587
  H      -1.028666     -0.485545      7.445043
  H      -1.038567      2.537844      7.941646
  H       0.378435      1.467043      7.847866
  C      -3.568439      3.798759      7.132336
  C      -4.179802      5.184791      6.933786
  O      -4.975496      5.238050      5.731515
  C      -4.484615      5.937430      4.686958
  O      -3.365973      6.420612      4.634130
  C      -5.534050      6.097131      3.611483
  N      -6.789016      6.074392      4.037724
  C      -7.762137      6.277317      3.116507
  N      -7.603225      6.473822      1.821814
  C      -6.318837      6.488896      1.362358
  C      -6.097212      6.685219     -0.023212
  C      -4.812561      6.716987     -0.517689
  C      -3.705515      6.549750      0.349304
  C      -3.885754      6.352605      1.702535
  C      -5.196634      6.314981      2.243729
  C      -1.813581     -1.102605      4.134845
  C      -3.283971     -1.484425      3.934465
  O      -3.926551     -0.601070      2.963333
  C      -4.391352      0.546243      3.441739
  O      -4.458101      0.755312      4.695687
  C      -4.978732      1.477491      2.448030
  N      -5.983629      2.195142      2.941599
  C      -6.643416      2.997627      2.075872
  N      -6.377456      3.173385      0.792892
  C      -5.301197      2.506074      0.292141
  C      -4.938243      2.718390     -1.061136
  C      -3.839001      2.076953     -1.589030
  C      -3.060569      1.206816     -0.787757
  C      -3.393694      0.968224      0.529842
  C      -4.528477      1.600836      1.099626
  C      -3.791431     -0.349886      7.321745
  C      -4.697369      0.218423      8.413792
  O      -5.514710      1.299024      7.903162
  C      -6.630651      0.935897      7.226777
  O      -6.961499     -0.220024      7.036508
  C      -7.411932      2.142693      6.766015
  N      -7.218450      3.261430      7.453293
  C      -7.971992      4.335948      7.107509
  N      -8.876199      4.400866      6.150119
  C      -9.052707      3.275401      5.402376
  C      -9.975389      3.315048      4.327947
  C     -10.164565      2.200172      3.541624
  C      -9.444251      1.008859      3.801309
  C      -8.546601      0.934307      4.844569
  C      -8.327861      2.064209      5.674324
  H      -3.141477      3.778864      8.159021
  H      -4.375898      3.055331      7.104014
  H      -3.415708      5.972418      6.901913
  H      -4.881246      5.373863      7.758262
  H      -8.786597      6.271246      3.503237
  H      -6.969110      6.808702     -0.665906
  H      -4.641286      6.874827     -1.584346
  H      -2.694399      6.586173     -0.062973
  H      -3.033580      6.236935      2.367352
  H      -1.477834     -1.623409      5.056169
  H      -1.225940     -1.521418      3.299304
  H      -3.853846     -1.449420      4.865572
  H      -3.359027     -2.484509      3.495674
  H      -7.494859      3.543454      2.490430
  H      -5.547634      3.405487     -1.648868
  H      -3.558180      2.241596     -2.630346
  H      -2.185366      0.719261     -1.220517
  H      -2.784214      0.301343      1.136370
  H      -4.441550     -0.634860      6.487399
  H      -3.331110     -1.274932      7.716715
  H      -5.346354     -0.576352      8.808624
  H      -4.122438      0.670569      9.232793
  H      -7.805316      5.242265      7.695998
  H     -10.514856      4.246472      4.151756
  H     -10.869973      2.233195      2.709376
  H      -9.599922      0.138441      3.161330
  H      -7.999748      0.015006      5.039980
  N      -2.470788      2.810942      3.620715
  N      -2.480440      3.546154      2.662648
  H      -1.638933      3.520073      2.044976
98
Coordinates from ORCA-job orca E -6706.373234596914
  N      -2.550122      3.468194      6.149515
  Mo     -2.635978      1.704717      5.205904
  N      -2.759032      0.567330      6.869337
  C      -1.545148      0.464091      7.679437
  C      -0.624391      1.647584      7.438639
  N      -0.536662      1.951121      5.977077
  C      -0.174016      3.375924      5.735611
  C      -1.334666      4.256425      6.199956
  C       0.403359      1.031248      5.274325
  C      -0.203698      0.716628      3.910136
  N      -1.577444      0.324062      4.147772
  H      -1.407857      5.159822      5.571612
  H      -1.169075      4.604491      7.234617
  H       0.001224      3.484450      4.658221
  H       0.761373      3.623723      6.263157
  H       0.369845     -0.077224      3.405706
  H      -0.169080      1.612971      3.266237
  H       0.477247      0.107290      5.863402
  H       1.403747      1.487103      5.212735
  H      -1.778367      0.423317      8.758991
  H      -1.027521     -0.490173      7.447336
  H      -1.030958      2.533654      7.938040
  H       0.384620      1.460611      7.841401
  C      -3.564919      3.802632      7.125160
  C      -4.164118      5.192030      6.923562
  O      -4.958819      5.252743      5.720804
  C      -4.465371      5.952283      4.677468
  O      -3.344100      6.426086      4.624307
  C      -5.514902      6.119958      3.602388
  N      -6.770517      6.096489      4.028143
  C      -7.742757      6.296129      3.104973
  N      -7.582455      6.491772      1.808769
  C      -6.298872      6.513310      1.352082
  C      -6.077976      6.714811     -0.032235
  C      -4.792435      6.753678     -0.525750
  C      -3.684971      6.590001      0.341904
  C      -3.864333      6.385667      1.693376
  C      -5.176162      6.340844      2.233901
  C      -1.818454     -1.107725      4.135967
  C      -3.289943     -1.492448      3.938642
  O      -3.939589     -0.607053      2.974948
  C      -4.402239      0.538638      3.458600
  O      -4.462909      0.743479      4.712783
  C      -4.993265      1.473117      2.470215
  N      -5.994191      2.192263      2.970548
  C      -6.650417      3.005477      2.112200
  N      -6.383476      3.192288      0.831147
  C      -5.311485      2.522782      0.323651
  C      -4.945767      2.749291     -1.024915
  C      -3.850097      2.107089     -1.559180
  C      -3.078529      1.221594     -0.768939
  C      -3.414194      0.969869      0.544617
  C      -4.544520      1.604188      1.121493
  C      -3.791429     -0.347684      7.337850
  C      -4.697330      0.234878      8.422459
  O      -5.512097      1.309020      7.898134
  C      -6.632482      0.933151      7.233375
  O      -6.969031     -0.228667      7.071689
  C      -7.413816      2.131929      6.750299
  N      -7.211057      3.265310      7.410012
  C      -7.962445      4.334178      7.043945
  N      -8.873291      4.381260      6.093940
  C      -9.059421      3.240447      5.374309
  C      -9.984365      3.260482      4.298238
  C     -10.180753      2.129668      3.534669
  C      -9.465503      0.940978      3.817764
  C      -8.565247      0.884983      4.860859
  C      -8.338150      2.032375      5.667601
  H      -3.140061      3.781134      8.152294
  H      -4.378224      3.065795      7.095735
  H      -3.393065      5.973058      6.892707
  H      -4.863863      5.387155      7.746802
  H      -8.766115      6.284230      3.489584
  H      -6.949712      6.836189     -0.675792
  H      -4.620046      6.915343     -1.593361
  H      -2.675568      6.637701     -0.067548
  H      -3.012266      6.274519      2.359002
  H      -1.479607     -1.625521      5.057655
  H      -1.232434     -1.526620      3.299826
  H      -3.856581     -1.464876      4.872570
  H      -3.363750     -2.490665      3.492598
  H      -7.499151      3.551180      2.531204
  H      -5.550273      3.447759     -1.603721
  H      -3.567037      2.282803     -2.596916
  H      -2.206304      0.732854     -1.206653
  H      -2.809524      0.291721      1.142894
  H      -4.441058     -0.644532      6.507256
  H      -3.330254     -1.267069      7.745020
  H      -5.347649     -0.552112      8.825531
  H      -4.123039      0.695262      9.235689
  H      -7.786863      5.252772      7.609760
  H     -10.519254      4.190851      4.103653
  H     -10.888031      2.148166      2.704454
  H      -9.628796      0.059121      3.201885
  H      -8.021098     -0.031835      5.073885
  N      -2.481109      2.804751      3.620739
  N      -2.507703      3.545705      2.667567
  H      -1.674735      3.527364      2.037784
98
Coordinates from ORCA-job orca E -6706.373319259773
  N      -2.545397      3.467438      6.147913
  Mo     -2.639627      1.702900      5.207075
  N      -2.757153      0.567380      6.871615
  C      -1.540683      0.464811      7.678074
  C      -0.619012      1.646531      7.432036
  N      -0.536289      1.947935      5.970275
  C      -0.172388      3.371616      5.725592
  C      -1.328645      4.253396      6.197334
  C       0.399466      1.026582      5.264280
  C      -0.212569      0.715410      3.901539
  N      -1.585797      0.323913      4.143720
  H      -1.401919      5.159531      5.572219
  H      -1.158659      4.597598      7.233671
  H      -0.004768      3.478840      4.646578
  H       0.767414      3.618757      6.246457
  H       0.358002     -0.078233      3.393187
  H      -0.179888      1.612966      3.259310
  H       0.472647      0.101753      5.852003
  H       1.400755      1.480094      5.200437
  H      -1.770838      0.427188      8.758349
  H      -1.025193     -0.490777      7.446799
  H      -1.022163      2.533935      7.931618
  H       0.390751      1.458489      7.831384
  C      -3.560541      3.804803      7.123160
  C      -4.152988      5.198550      6.924116
  O      -4.944782      5.265047      5.720470
  C      -4.448432      5.966530      4.680460
  O      -3.325635      6.439348      4.629828
  C      -5.496965      6.137075      3.605205
  N      -6.751707      6.115990      4.031128
  C      -7.724667      6.314464      3.108562
  N      -7.565171      6.507119      1.812038
  C      -6.281375      6.526946      1.354563
  C      -6.060926      6.726378     -0.030158
  C      -4.775780      6.767013     -0.523589
  C      -3.667683      6.606776      0.344057
  C      -3.847154      6.403519      1.696317
  C      -5.158781      6.356925      2.236777
  C      -1.826262     -1.108107      4.130569
  C      -3.298695     -1.493306      3.946807
  O      -3.954574     -0.608575      2.986844
  C      -4.413208      0.538413      3.472706
  O      -4.469775      0.742119      4.728093
  C      -5.004155      1.475134      2.487034
  N      -6.001577      2.197182      2.989727
  C      -6.653884      3.016361      2.134012
  N      -6.385647      3.207420      0.853703
  C      -5.317179      2.534456      0.343822
  C      -4.950095      2.764394     -1.004748
  C      -3.857362      2.119340     -1.541314
  C      -3.090611      1.226803     -0.753829
  C      -3.428296      0.970764      0.558823
  C      -4.555482      1.608471      1.138393
  C      -3.789828     -0.343004      7.348538
  C      -4.697524      0.250222      8.425983
  O      -5.515129      1.316228      7.889470
  C      -6.636027      0.931861      7.231832
  O      -6.970828     -0.231147      7.085508
  C      -7.418354      2.123253      6.734243
  N      -7.210157      3.268326      7.374643
  C      -7.960065      4.332734      6.992714
  N      -8.873015      4.364798      6.041500
  C      -9.064781      3.211587      5.342859
  C      -9.990458      3.216795      4.268964
  C     -10.190854      2.074657      3.527205
  C      -9.479281      0.888427      3.830207
  C      -8.579063      0.847045      4.872916
  C      -8.347098      2.006829      5.657507
  H      -3.137325      3.778280      8.151338
  H      -4.377865      3.072088      7.091207
  H      -3.378736      5.976096      6.895797
  H      -4.853074      5.395300      7.746871
  H      -8.748724      6.305217      3.494863
  H      -6.933056      6.846298     -0.673477
  H      -4.604504      6.928612     -1.590521
  H      -2.656939      6.656180     -0.066538
  H      -2.994630      6.295360      2.362185
  H      -1.476854     -1.628103      5.047241
  H      -1.248453     -1.523942      3.286879
  H      -3.857257     -1.464787      4.885535
  H      -3.375586     -2.491960      3.502994
  H      -7.499548      3.565267      2.555459
  H      -5.551146      3.467606     -1.581738
  H      -3.573143      2.297907     -2.578946
  H      -2.220689      0.735709     -1.193151
  H      -2.827483      0.286513      1.154279
  H      -4.438040     -0.649605      6.520477
  H      -3.328383     -1.257477      7.766076
  H      -5.346065     -0.533501      8.838613
  H      -4.123781      0.721489      9.233201
  H      -7.779360      5.261213      7.540258
  H     -10.520347      4.146097      4.056689
  H     -10.896598      2.081601      2.694179
  H      -9.642797     -0.004891      3.223396
  H      -8.036747     -0.067762      5.099522
  N      -2.496175      2.804995      3.620616
  N      -2.536106      3.551025      2.672209
  H      -1.710758      3.538310      2.032394
98
Coordinates from ORCA-job orca E -6706.373348131013
  N      -2.536782      3.467687      6.152005
  Mo     -2.647023      1.702226      5.214439
  N      -2.752070      0.567461      6.879842
  C      -1.529705      0.461813      7.677584
  C      -0.605880      1.639850      7.424017
  N      -0.534951      1.941532      5.961744
  C      -0.168445      3.363875      5.715363
  C      -1.317310      4.248468      6.199772
  C       0.392220      1.018492      5.246519
  C      -0.230495      0.716751      3.886085
  N      -1.602809      0.326958      4.136781
  H      -1.391033      5.157803      5.580128
  H      -1.139456      4.586376      7.238019
  H      -0.012104      3.471204      4.634602
  H       0.777601      3.607452      6.227262
  H       0.333919     -0.075165      3.367600
  H      -0.201438      1.618022      3.249125
  H       0.463502      0.090699      5.829911
  H       1.395872      1.466825      5.179125
  H      -1.752906      0.426781      8.759550
  H      -1.019458     -0.495694      7.443991
  H      -1.002334      2.528201      7.928045
  H       0.407104      1.448400      7.814241
  C      -3.554304      3.809535      7.123736
  C      -4.136417      5.208983      6.926599
  O      -4.922126      5.282780      5.720087
  C      -4.419368      5.987614      4.685773
  O      -3.294478      6.457674      4.641000
  C      -5.464875      6.164444      3.609117
  N      -6.719883      6.148684      4.034938
  C      -7.694059      6.348285      3.114146
  N      -7.535482      6.537478      1.818703
  C      -6.249474      6.552769      1.359904
  C      -6.026852      6.746438     -0.026877
  C      -4.743469      6.791770     -0.518006
  C      -3.635284      6.636512      0.350206
  C      -3.814430      6.432225      1.700971
  C      -5.126507      6.383629      2.241345
  C      -1.844806     -1.104636      4.115121
  C      -3.319613     -1.486774      3.965118
  O      -3.987769     -0.605464      3.011172
  C      -4.435295      0.546473      3.499264
  O      -4.485616      0.750445      4.756548
  C      -5.025705      1.486914      2.517857
  N      -6.015646      2.215718      3.024711
  C      -6.663587      3.042065      2.172679
  N      -6.395734      3.237169      0.893110
  C      -5.334505      2.557053      0.378867
  C      -4.967434      2.789551     -0.970693
  C      -3.883058      2.134842     -1.513561
  C      -3.124362      1.230557     -0.731176
  C      -3.461439      0.972991      0.582582
  C      -4.580778      1.620029      1.167987
  C      -3.786695     -0.332200      7.371741
  C      -4.692342      0.281518      8.438773
  O      -5.518302      1.330298      7.877073
  C      -6.638028      0.927162      7.229912
  O      -6.967376     -0.238462      7.111208
  C      -7.420084      2.103953      6.700175
  N      -7.202083      3.267448      7.300126
  C      -7.948069      4.324021      6.889128
  N      -8.864813      4.331441      5.942257
  C      -9.064997      3.157021      5.279196
  C      -9.991651      3.136121      4.209850
  C     -10.196301      1.972184      3.499619
  C      -9.492945      0.790823      3.841384
  C      -8.593848      0.775727      4.885555
  C      -8.353694      1.957752      5.630169
  H      -3.136662      3.775085      8.154133
  H      -4.377738      3.083349      7.085242
  H      -3.356601      5.981071      6.903168
  H      -4.839826      5.409559      7.746918
  H      -8.716054      6.338692      3.499478
  H      -6.898425      6.862855     -0.670951
  H      -4.572050      6.951495     -1.584985
  H      -2.622224      6.687168     -0.062269
  H      -2.960761      6.325554      2.365901
  H      -1.470723     -1.634603      5.015756
  H      -1.290754     -1.511601      3.251052
  H      -3.859448     -1.448572      4.914165
  H      -3.407986     -2.488573      3.531663
  H      -7.503684      3.596433      2.597897
  H      -5.561982      3.501846     -1.543569
  H      -3.599222      2.314675     -2.552393
  H      -2.261196      0.731372     -1.175409
  H      -2.866856      0.279052      1.173367
  H      -4.436530     -0.651455      6.549373
  H      -3.327538     -1.240090      7.804649
  H      -5.335950     -0.497623      8.874912
  H      -4.115275      0.777412      9.232067
  H      -7.759662      5.269036      7.405286
  H     -10.514630      4.063550      3.970142
  H     -10.900277      1.958160      2.665056
  H      -9.662801     -0.119321      3.266018
  H      -8.058172     -0.134970      5.143801
  N      -2.526275      2.810726      3.627320
  N      -2.588389      3.566584      2.688054
  H      -1.778721      3.559709      2.028050
98
Coordinates from ORCA-job orca E -6706.373422112311
  N      -2.536415      3.467252      6.151053
  Mo     -2.652733      1.700539      5.215713
  N      -2.752167      0.566812      6.882092
  C      -1.527039      0.460370      7.675722
  C      -0.603077      1.637287      7.418098
  N      -0.537734      1.938595      5.955568
  C      -0.170625      3.360850      5.708037
  C      -1.315666      4.246004      6.198768
  C       0.386203      1.014892      5.237020
  C      -0.240748      0.716236      3.878244
  N      -1.612537      0.326665      4.132999
  H      -1.388865      5.158234      5.582479
  H      -1.134770      4.580296      7.237830
  H      -0.020138      3.468969      4.626814
  H       0.778113      3.602634      6.214821
  H       0.321037     -0.075009      3.356084
  H      -0.213483      1.618839      3.242995
  H       0.456905      0.086071      5.818981
  H       1.390590      1.461573      5.167957
  H      -1.746998      0.426606      8.758259
  H      -1.018642     -0.497884      7.441478
  H      -0.996895      2.526158      7.923142
  H       0.411224      1.445095      7.804069
  C      -3.555122      3.812805      7.119673
  C      -4.129753      5.214905      6.923094
  O      -4.912925      5.294107      5.715253
  C      -4.407229      6.001550      4.683240
  O      -3.281559      6.469984      4.641228
  C      -5.450634      6.180774      3.604678
  N      -6.706253      6.165138      4.027515
  C      -7.677658      6.361562      3.102383
  N      -7.515707      6.548531      1.805978
  C      -6.230231      6.566446      1.351748
  C      -6.005866      6.760283     -0.033921
  C      -4.719610      6.804098     -0.523953
  C      -3.612806      6.651511      0.347163
  C      -3.795811      6.449325      1.699495
  C      -5.109279      6.399223      2.236712
  C      -1.854646     -1.105057      4.112100
  C      -3.330084     -1.487383      3.970062
  O      -4.002303     -0.605736      3.019710
  C      -4.445663      0.547250      3.509323
  O      -4.493885      0.749448      4.766556
  C      -5.036588      1.489671      2.530190
  N      -6.024209      2.220195      3.039459
  C      -6.669051      3.051968      2.190592
  N      -6.399200      3.252000      0.911921
  C      -5.340322      2.569855      0.395435
  C      -4.969828      2.809066     -0.951679
  C      -3.887471      2.153253     -1.495998
  C      -3.134726      1.240355     -0.717987
  C      -3.474936      0.976492      0.593142
  C      -4.591507      1.625714      1.180678
  C      -3.786293     -0.330097      7.380716
  C      -4.690196      0.289699      8.446037
  O      -5.516790      1.334411      7.879466
  C      -6.637039      0.924443      7.238376
  O      -6.966316     -0.242779      7.133123
  C      -7.420334      2.094747      6.696117
  N      -7.199276      3.266358      7.278849
  C      -7.944408      4.317488      6.853055
  N      -8.863098      4.311890      5.907017
  C      -9.066831      3.128769      5.262777
  C      -9.993829      3.093816      4.192682
  C     -10.200575      1.921777      3.500783
  C      -9.498841      0.744465      3.857983
  C      -8.599579      0.742472      4.902541
  C      -8.357245      1.934488      5.631573
  H      -3.140430      3.775126      8.151049
  H      -4.382198      3.090793      7.078078
  H      -3.345781      5.983111      6.902428
  H      -4.833305      5.417981      7.742400
  H      -8.702336      6.353287      3.487037
  H      -6.876948      6.876113     -0.679669
  H      -4.546814      6.964105     -1.589837
  H      -2.601334      6.706998     -0.060767
  H      -2.944702      6.346722      2.368582
  H      -1.474815     -1.635908      5.009896
  H      -1.306072     -1.510925      3.244370
  H      -3.864986     -1.449833      4.921696
  H      -3.421152     -2.489002      3.536786
  H      -7.508021      3.606595      2.617142
  H      -5.560355      3.527150     -1.521432
  H      -3.600609      2.338877     -2.532263
  H      -2.273550      0.739623     -1.163464
  H      -2.884701      0.275970      1.180418
  H      -4.437575     -0.654153      6.561405
  H      -3.325940     -1.235357      7.818167
  H      -5.333256     -0.485431      8.887528
  H      -4.112121      0.789930      9.234708
  H      -7.753395      5.270173      7.356082
  H     -10.514565      4.018441      3.939364
  H     -10.904088      1.897379      2.666346
  H      -9.669665     -0.174102      3.292202
  H      -8.064997     -0.165185      5.172496
  N      -2.539413      2.810510      3.627259
  N      -2.611502      3.570850      2.692411
  H      -1.809376      3.566949      2.023517
98
Coordinates from ORCA-job orca E -6706.373466055699
  N      -2.535727      3.466603      6.144130
  Mo     -2.656241      1.697747      5.214089
  N      -2.752818      0.568100      6.882942
  C      -1.527038      0.463039      7.675417
  C      -0.603221      1.639105      7.413522
  N      -0.539332      1.936431      5.950819
  C      -0.170832      3.357630      5.699529
  C      -1.314184      4.244223      6.190269
  C       0.382170      1.010010      5.233634
  C      -0.246045      0.710648      3.876066
  N      -1.617586      0.322674      4.132733
  H      -1.386479      5.156098      5.571916
  H      -1.132556      4.581166      7.228574
  H      -0.023082      3.463820      4.617373
  H       0.779877      3.599426      6.203000
  H       0.313966     -0.081722      3.354168
  H      -0.218842      1.612649      3.240108
  H       0.451241      0.081782      5.816718
  H       1.387130      1.454503      5.163628
  H      -1.745848      0.432346      8.758119
  H      -1.019472     -0.496527      7.443593
  H      -0.995673      2.529665      7.915580
  H       0.410478      1.447757      7.799299
  C      -3.555064      3.815359      7.110602
  C      -4.124004      5.220434      6.914883
  O      -4.907480      5.305795      5.707588
  C      -4.400245      6.014366      4.677996
  O      -3.273820      6.481664      4.638514
  C      -5.441065      6.197080      3.597602
  N      -6.698015      6.178146      4.015922
  C      -7.666484      6.376326      3.088176
  N      -7.499521      6.567390      1.792454
  C      -6.212192      6.588097      1.342628
  C      -5.983480      6.786528     -0.040917
  C      -4.695521      6.831841     -0.526066
  C      -3.591157      6.678134      0.347900
  C      -3.779632      6.473619      1.699666
  C      -5.095102      6.420578      2.231830
  C      -1.859358     -1.108887      4.118879
  C      -3.335486     -1.492108      3.970880
  O      -4.007165     -0.608545      3.021044
  C      -4.449124      0.542982      3.512401
  O      -4.496404      0.742005      4.771176
  C      -5.041356      1.485634      2.533900
  N      -6.030073      2.214597      3.044216
  C      -6.672084      3.050769      2.197349
  N      -6.397577      3.258030      0.920461
  C      -5.338276      2.576708      0.403116
  C      -4.961907      2.825198     -0.940616
  C      -3.879071      2.171254     -1.485564
  C      -3.132543      1.249607     -0.712103
  C      -3.478283      0.976769      0.595376
  C      -4.594000      1.625883      1.184788
  C      -3.785617     -0.328293      7.384905
  C      -4.689151      0.295597      8.447704
  O      -5.514167      1.338431      7.878475
  C      -6.635566      0.921846      7.243686
  O      -6.966735     -0.247679      7.152509
  C      -7.421976      2.086576      6.693381
  N      -7.196892      3.265813      7.262871
  C      -7.944158      4.312507      6.829636
  N      -8.870460      4.295813      5.890516
  C      -9.080783      3.104727      5.264772
  C     -10.015931      3.056146      4.199510
  C     -10.227279      1.876090      3.522792
  C      -9.522942      0.702365      3.887393
  C      -8.615332      0.712388      4.924393
  C      -8.367892      1.914251      5.639913
  H      -3.142533      3.774997      8.142978
  H      -4.384518      3.095939      7.067124
  H      -3.337097      5.985318      6.894084
  H      -4.824627      5.425388      7.735431
  H      -8.692315      6.362558      3.468130
  H      -6.852925      6.903586     -0.688749
  H      -4.520125      6.994680     -1.589625
  H      -2.578047      6.735188     -0.055905
  H      -2.930940      6.370780      2.371736
  H      -1.484257     -1.634160      5.022428
  H      -1.305480     -1.520036      3.256535
  H      -3.873615     -1.459515      4.921452
  H      -3.424786     -2.492074      3.533514
  H      -7.512340      3.603184      2.623629
  H      -5.548655      3.548459     -1.507611
  H      -3.587276      2.364758     -2.518693
  H      -2.271581      0.749339     -1.158374
  H      -2.892334      0.269945      1.179148
  H      -4.435730     -0.656428      6.566740
  H      -3.324412     -1.231288      7.825900
  H      -5.332463     -0.475801      8.890063
  H      -4.111985      0.797077      9.233959
  H      -7.747203      5.270494      7.316404
  H     -10.538840      3.978048      3.939767
  H     -10.937508      1.842405      2.696746
  H      -9.699448     -0.223292      3.334025
  H      -8.079161     -0.192650      5.200484
  N      -2.545594      2.804795      3.622583
  N      -2.622092      3.565137      2.688805
  H      -1.825600      3.557318      2.012570
98
Coordinates from ORCA-job orca E -6706.373532189913
  N      -2.534439      3.467446      6.144392
  Mo     -2.664593      1.697719      5.217420
  N      -2.752071      0.569156      6.887308
  C      -1.521929      0.461193      7.672936
  C      -0.597393      1.635276      7.405945
  N      -0.541949      1.932934      5.942694
  C      -0.172115      3.353595      5.690656
  C      -1.311423      4.242255      6.187748
  C       0.374291      1.005280      5.220085
  C      -0.261458      0.709152      3.865273
  N      -1.632358      0.322925      4.128739
  H      -1.383913      5.154963      5.570646
  H      -1.125841      4.578328      7.225582
  H      -0.030506      3.460620      4.608135
  H       0.781528      3.592431      6.188883
  H       0.293953     -0.083123      3.338679
  H      -0.236366      1.612123      3.230739
  H       0.443275      0.075932      5.801773
  H       1.380654      1.447095      5.146341
  H      -1.735147      0.430797      8.756919
  H      -1.017604     -0.499300      7.438310
  H      -0.985459      2.526398      7.910858
  H       0.418822      1.441873      7.785307
  C      -3.555390      3.820056      7.107474
  C      -4.116986      5.228072      6.912936
  O      -4.898170      5.318466      5.704736
  C      -4.387787      6.028063      4.677681
  O      -3.260671      6.493717      4.641454
  C      -5.425826      6.212598      3.595417
  N      -6.683670      6.192826      4.010547
  C      -7.649419      6.390439      3.079794
  N      -7.479000      6.581686      1.784442
  C      -6.191313      6.603813      1.338329
  C      -5.959796      6.801783     -0.044322
  C      -4.669521      6.845232     -0.527772
  C      -3.567848      6.694716      0.349942
  C      -3.759392      6.490767      1.700906
  C      -5.076076      6.436255      2.229740
  C      -1.876604     -1.108175      4.117176
  C      -3.353921     -1.489522      3.976676
  O      -4.028423     -0.604902      3.030429
  C      -4.463178      0.548742      3.523475
  O      -4.508934      0.746378      4.782779
  C      -5.053980      1.493746      2.546617
  N      -6.041231      2.224361      3.056734
  C      -6.678462      3.065096      2.211054
  N      -6.398486      3.278105      0.936675
  C      -5.341097      2.594227      0.419552
  C      -4.958084      2.848936     -0.921323
  C      -3.877805      2.191664     -1.466545
  C      -3.140568      1.260299     -0.695839
  C      -3.492016      0.982488      0.609041
  C      -4.604718      1.635580      1.198593
  C      -3.784861     -0.323069      7.396661
  C      -4.683860      0.308857      8.458269
  O      -5.512544      1.344860      7.880583
  C      -6.632829      0.918152      7.251432
  O      -6.962325     -0.252896      7.175812
  C      -7.418684      2.074400      6.682244
  N      -7.189008      3.262773      7.228840
  C      -7.933868      4.303420      6.777678
  N      -8.863919      4.272300      5.842903
  C      -9.079926      3.070327      5.239750
  C     -10.020001      3.004829      4.180435
  C     -10.234893      1.813429      3.524094
  C      -9.532526      0.644851      3.908492
  C      -8.621483      0.671389      4.942811
  C      -8.368553      1.885238      5.633973
  H      -3.146579      3.775551      8.140948
  H      -4.388279      3.104877      7.060381
  H      -3.326076      5.988500      6.894206
  H      -4.817175      5.435972      7.732890
  H      -8.676706      6.375554      3.457737
  H      -6.827856      6.917380     -0.694339
  H      -4.490918      7.005239     -1.592116
  H      -2.555229      6.753794     -0.050127
  H      -2.913073      6.390325      2.375978
  H      -1.497221     -1.633000      5.018786
  H      -1.328635     -1.520723      3.252005
  H      -3.888310     -1.456153      4.929351
  H      -3.447336     -2.489513      3.540142
  H      -7.517998      3.619195      2.637456
  H      -5.538230      3.578880     -1.486323
  H      -3.580932      2.389811     -2.497711
  H      -2.282188      0.756463     -1.142336
  H      -2.912812      0.268253      1.190507
  H      -4.437631     -0.654484      6.581724
  H      -3.324161     -1.224440      7.841363
  H      -5.324339     -0.459373      8.911485
  H      -4.103097      0.819591      9.236670
  H      -7.732193      5.269787      7.246250
  H     -10.541564      3.922973      3.905348
  H     -10.947595      1.765988      2.699548
  H      -9.715261     -0.289780      3.375116
  H      -8.088090     -0.229842      5.236313
  N      -2.563251      2.807123      3.625271
  N      -2.648665      3.572472      2.696655
  H      -1.862882      3.563293      2.008119
98
Coordinates from ORCA-job orca E -6706.373627751170
  N      -2.530814      3.470107      6.147312
  Mo     -2.682745      1.699129      5.227139
  N      -2.748627      0.572040      6.897824
  C      -1.508714      0.457921      7.667090
  C      -0.584122      1.628568      7.388529
  N      -0.548946      1.927003      5.924613
  C      -0.177156      3.346549      5.669851
  C      -1.304707      4.238535      6.185094
  C       0.354941      0.997010      5.189527
  C      -0.298128      0.707559      3.842047
  N      -1.666830      0.324767      4.121778
  H      -1.377573      5.155184      5.574437
  H      -1.108190      4.568745      7.222856
  H      -0.053358      3.455627      4.586410
  H       0.785083      3.579845      6.152406
  H       0.246966     -0.084623      3.305347
  H      -0.278366      1.612495      3.210281
  H       0.424599      0.065568      5.767913
  H       1.363478      1.433293      5.106532
  H      -1.708646      0.427283      8.753483
  H      -1.011037     -0.503943      7.425424
  H      -0.962712      2.520519      7.899670
  H       0.437408      1.431473      7.752606
  C      -3.554947      3.830647      7.102298
  C      -4.100936      5.243256      6.911194
  O      -4.875710      5.342656      5.699631
  C      -4.360231      6.058055      4.677402
  O      -3.233105      6.522362      4.647830
  C      -5.393466      6.246183      3.591727
  N      -6.654255      6.227096      4.000193
  C      -7.615573      6.426429      3.064454
  N      -7.438104      6.616918      1.770358
  C      -6.147859      6.637079      1.330900
  C      -5.907340      6.827379     -0.053510
  C      -4.615968      6.868996     -0.529015
  C      -3.518568      6.721940      0.355478
  C      -3.717166      6.522477      1.705538
  C      -5.037155      6.469931      2.228353
  C      -1.916519     -1.105836      4.116717
  C      -3.395855     -1.482693      3.996029
  O      -4.077021     -0.596764      3.056855
  C      -4.494799      0.563088      3.552279
  O      -4.536732      0.758941      4.812203
  C      -5.083599      1.512654      2.579042
  N      -6.066626      2.248100      3.091572
  C      -6.695308      3.098552      2.249969
  N      -6.406091      3.322145      0.979243
  C      -5.353726      2.631909      0.460039
  C      -4.958216      2.899776     -0.874649
  C      -3.884614      2.234192     -1.423179
  C      -3.166893      1.280819     -0.661322
  C      -3.528365      0.993173      0.638813
  C      -4.633029      1.656440      1.231663
  C      -3.780857     -0.312727      7.421468
  C      -4.671861      0.334637      8.480386
  O      -5.509212      1.355727      7.885152
  C      -6.626149      0.909766      7.264650
  O      -6.951958     -0.263139      7.218704
  C      -7.409561      2.047969      6.656335
  N      -7.173032      3.253016      7.154371
  C      -7.911740      4.280152      6.665161
  N      -8.845664      4.219206      5.736976
  C      -9.069854      2.996238      5.178841
  C     -10.015428      2.894925      4.125729
  C     -10.235299      1.683151      3.514221
  C      -9.536737      0.527023      3.939127
  C      -8.622126      0.587552      4.970004
  C      -8.362694      1.824828      5.616540
  H      -3.154405      3.776723      8.137980
  H      -4.395183      3.125374      7.046371
  H      -3.301255      5.996186      6.900333
  H      -4.803167      5.455491      7.729566
  H      -8.644179      6.409198      3.436950
  H      -6.771976      6.939519     -0.709224
  H      -4.432088      7.022343     -1.592991
  H      -2.502717      6.777369     -0.039738
  H      -2.874106      6.423467      2.385175
  H      -1.526092     -1.630543      5.013089
  H      -1.383290     -1.520952      3.244744
  H      -3.919565     -1.445645      4.953831
  H      -3.499894     -2.483206      3.564020
  H      -7.534547      3.652905      2.675717
  H      -5.524276      3.645418     -1.432684
  H      -3.577527      2.443252     -2.448780
  H      -2.315181      0.768229     -1.110828
  H      -2.963138      0.262876      1.213779
  H      -4.439326     -0.650423      6.613067
  H      -3.320232     -1.211230      7.872605
  H      -5.305817     -0.426926      8.955878
  H      -4.084924      0.864722      9.242104
  H      -7.703337      5.262996      7.096857
  H     -10.534241      3.803431      3.817821
  H     -10.951393      1.608511      2.696122
  H      -9.728982     -0.424947      3.444145
  H      -8.094388     -0.304821      5.297725
  N      -2.603121      2.813347      3.633639
  N      -2.708122      3.590052      2.716996
  H      -1.949354      3.575556      1.998830
98
Coordinates from ORCA-job orca E -6706.373759675851
  N      -2.524279      3.472264      6.151275
  Mo     -2.701860      1.699752      5.241793
  N      -2.742112      0.574990      6.913007
  C      -1.491525      0.454901      7.663449
  C      -0.567479      1.621986      7.371370
  N      -0.553913      1.920103      5.907178
  C      -0.179874      3.337625      5.647780
  C      -1.295292      4.234210      6.179691
  C       0.334498      0.987037      5.157659
  C      -0.339562      0.704839      3.819004
  N      -1.704935      0.326555      4.118513
  H      -1.369555      5.152226      5.571933
  H      -1.086313      4.562094      7.216405
  H      -0.074666      3.446528      4.562352
  H       0.791785      3.566812      6.113612
  H       0.193521     -0.087930      3.271121
  H      -0.326736      1.611535      3.189747
  H       0.406145      0.053624      5.732388
  H       1.344679      1.416877      5.062448
  H      -1.675697      0.424295      8.752583
  H      -1.001208     -0.508634      7.414079
  H      -0.935813      2.515185      7.887878
  H       0.458693      1.421581      7.720280
  C      -3.551634      3.841173      7.098989
  C      -4.083021      5.259561      6.910198
  O      -4.853129      5.368264      5.697377
  C      -4.332440      6.088631      4.681380
  O      -3.204046      6.550876      4.659828
  C      -5.359758      6.282315      3.591375
  N      -6.623592      6.262396      3.993164
  C      -7.579371      6.462999      3.052532
  N      -7.394568      6.654708      1.760849
  C      -6.101706      6.675244      1.328330
  C      -5.853111      6.862697     -0.054983
  C      -4.559295      6.902740     -0.523744
  C      -3.466555      6.759215      0.366536
  C      -3.673322      6.563577      1.715718
  C      -4.995875      6.508772      2.230981
  C      -1.959918     -1.103235      4.120494
  C      -3.442320     -1.475215      4.024218
  O      -4.134011     -0.588721      3.093367
  C      -4.533239      0.576826      3.592974
  O      -4.565877      0.770611      4.855494
  C      -5.122038      1.530947      2.624805
  N      -6.099031      2.271473      3.142463
  C      -6.720396      3.132233      2.305611
  N      -6.423777      3.367839      1.037963
  C      -5.377896      2.671626      0.514779
  C      -4.972546      2.953268     -0.814883
  C      -3.907606      2.279182     -1.369823
  C      -3.209179      1.302520     -0.619050
  C      -3.578807      1.003406      0.676983
  C      -4.672951      1.677283      1.276584
  C      -3.773110     -0.301740      7.452295
  C      -4.660311      0.367272      8.499590
  O      -5.503693      1.367912      7.876463
  C      -6.615263      0.899227      7.264880
  O      -6.942923     -0.274494      7.260703
  C      -7.387651      2.015603      6.602999
  N      -7.135753      3.240311      7.043612
  C      -7.859267      4.253059      6.504781
  N      -8.797085      4.159597      5.582104
  C      -9.040983      2.913993      5.086799
  C      -9.994462      2.775353      4.046562
  C     -10.229386      1.538290      3.490681
  C      -9.544514      0.394966      3.969488
  C      -8.624570      0.492480      4.992462
  C      -8.346630      1.755487      5.576745
  H      -3.159102      3.776739      8.136814
  H      -4.399756      3.145287      7.034987
  H      -3.275466      6.004073      6.904112
  H      -4.785347      5.477975      7.727106
  H      -8.610086      6.443326      3.419965
  H      -6.713914      6.971715     -0.715356
  H      -4.368503      7.050152     -1.588035
  H      -2.448735      6.814271     -0.022750
  H      -2.833835      6.467395      2.399605
  H      -1.555534     -1.626994      5.011280
  H      -1.442780     -1.521270      3.239928
  H      -3.952281     -1.433862      4.989519
  H      -3.557669     -2.476396      3.597258
  H      -7.557802      3.687482      2.732679
  H      -5.524546      3.715840     -1.364066
  H      -3.592409      2.499366     -2.391181
  H      -2.365642      0.781247     -1.074000
  H      -3.027241      0.256261      1.243843
  H      -4.433899     -0.651355      6.650401
  H      -3.313242     -1.194391      7.915493
  H      -5.288159     -0.383933      8.999281
  H      -4.071446      0.922579      9.242134
  H      -7.634332      5.252968      6.885604
  H     -10.502959      3.674036      3.695755
  H     -10.949918      1.432602      2.677742
  H      -9.755059     -0.576590      3.524745
  H      -8.109884     -0.390920      5.362712
  N      -2.652641      2.820955      3.647291
  N      -2.783471      3.611555      2.746326
  H      -2.060200      3.594061      1.991631
98
Coordinates from ORCA-job orca E -6706.373867098603
  N      -2.524672      3.472498      6.145102
  Mo     -2.716216      1.698262      5.243710
  N      -2.741801      0.575702      6.915679
  C      -1.484120      0.454188      7.654313
  C      -0.561826      1.620892      7.354542
  N      -0.559975      1.918251      5.890773
  C      -0.185564      3.334966      5.627206
  C      -1.295432      4.233016      6.168563
  C       0.320683      0.984291      5.133869
  C      -0.366742      0.702602      3.801631
  N      -1.729719      0.325971      4.114801
  H      -1.370902      5.153005      5.562012
  H      -1.081173      4.559744      7.204849
  H      -0.090983      3.444435      4.539788
  H       0.791031      3.562587      6.083076
  H       0.160337     -0.091350      3.248784
  H      -0.360466      1.609258      3.171338
  H       0.397230      0.050593      5.708407
  H       1.330490      1.413274      5.028607
  H      -1.658101      0.423217      8.745350
  H      -0.996980     -0.509932      7.399844
  H      -0.925369      2.514830      7.873026
  H       0.466580      1.419963      7.695975
  C      -3.556285      3.845826      7.087766
  C      -4.075407      5.269969      6.901245
  O      -4.841052      5.389307      5.686091
  C      -4.314243      6.112304      4.676022
  O      -3.184148      6.571919      4.662581
  C      -5.334937      6.311467      3.580740
  N      -6.601084      6.292206      3.974041
  C      -7.550225      6.497887      3.027739
  N      -7.355918      6.691855      1.737818
  C      -6.060075      6.708637      1.313362
  C      -5.802383      6.895888     -0.067327
  C      -4.505107      6.929875     -0.527401
  C      -3.419001      6.784779      0.370848
  C      -3.634724      6.590515      1.717214
  C      -4.960829      6.538835      2.223028
  C      -1.984708     -1.104079      4.127411
  C      -3.467790     -1.474511      4.034405
  O      -4.161547     -0.585002      3.108218
  C      -4.555792      0.579872      3.612101
  O      -4.583563      0.769307      4.875931
  C      -5.142803      1.538420      2.647745
  N      -6.116025      2.282482      3.168281
  C      -6.726693      3.156693      2.337879
  N      -6.418747      3.406597      1.076635
  C      -5.378017      2.704474      0.549846
  C      -4.960570      3.000298     -0.773146
  C      -3.899686      2.322010     -1.331267
  C      -3.218616      1.325581     -0.590373
  C      -3.600443      1.012287      0.698646
  C      -4.689247      1.691735      1.301890
  C      -3.769364     -0.297580      7.468823
  C      -4.653875      0.383318      8.511039
  O      -5.502995      1.371468      7.876447
  C      -6.614293      0.888915      7.274274
  O      -6.938667     -0.284742      7.293539
  C      -7.387550      1.989369      6.587003
  N      -7.125124      3.226315      6.986966
  C      -7.843013      4.227176      6.419787
  N      -8.788876      4.110096      5.507019
  C      -9.046446      2.850454      5.055834
  C     -10.010286      2.685642      4.030584
  C     -10.254729      1.432608      3.512366
  C      -9.571875      0.300092      4.019127
  C      -8.643821      0.424185      5.031294
  C      -8.354451      1.702953      5.574464
  H      -3.171269      3.772862      8.128817
  H      -4.410005      3.155649      7.016102
  H      -3.261498      6.007372      6.898943
  H      -4.776746      5.492072      7.717630
  H      -8.583360      6.478731      3.388096
  H      -6.658170      7.006309     -0.733905
  H      -4.304634      7.071568     -1.593093
  H      -2.397016      6.834799     -0.011699
  H      -2.799116      6.492234      2.406211
  H      -1.580364     -1.621195      5.021861
  H      -1.466831     -1.528791      3.249169
  H      -3.975909     -1.436649      5.001171
  H      -3.584618     -2.475157      3.605384
  H      -7.561116      3.716634      2.768985
  H      -5.500403      3.776909     -1.314915
  H      -3.574896      2.553508     -2.347660
  H      -2.378896      0.799844     -1.047905
  H      -3.061820      0.250099      1.257494
  H      -4.431200     -0.659833      6.673059
  H      -3.306042     -1.183647      7.940755
  H      -5.276520     -0.361014      9.027031
  H      -4.062189      0.952076      9.240621
  H      -7.605790      5.236783      6.763332
  H     -10.517703      3.576592      3.658457
  H     -10.982788      1.305499      2.709281
  H      -9.791821     -0.684435      3.605886
  H      -8.132122     -0.450196      5.424948
  N      -2.681622      2.822515      3.647211
  N      -2.825515      3.622048      2.756875
  H      -2.125278      3.602000      1.981111
98
Coordinates from ORCA-job orca E -6706.373865942537
  N      -2.521657      3.470778      6.135768
  Mo     -2.707997      1.696924      5.233180
  N      -2.747229      0.574497      6.905171
  C      -1.491137      0.451164      7.646633
  C      -0.567821      1.619675      7.355416
  N      -0.555869      1.917863      5.892106
  C      -0.178533      3.333545      5.629059
  C      -1.294546      4.234141      6.158604
  C       0.329341      0.983628      5.140383
  C      -0.355010      0.691771      3.808259
  N      -1.719430      0.318325      4.119448
  H      -1.370488      5.148288      5.543208
  H      -1.085657      4.569498      7.192323
  H      -0.073203      3.441001      4.540305
  H       0.794863      3.560961      6.093939
  H       0.175893     -0.107079      3.264670
  H      -0.347676      1.592945      3.169851
  H       0.412227      0.053573      5.720327
  H       1.336023      1.417443      5.031328
  H      -1.667177      0.415113      8.737516
  H      -1.002331     -0.511632      7.387869
  H      -0.935355      2.513124      7.872257
  H       0.458193      1.418601      7.704907
  C      -3.553026      3.844146      7.079517
  C      -4.077493      5.268190      6.892457
  O      -4.850557      5.389795      5.681056
  C      -4.329093      6.112553      4.670696
  O      -3.200054      6.575756      4.654287
  C      -5.353909      6.314178      3.579299
  N      -6.618008      6.292265      3.975642
  C      -7.568235      6.511104      3.033734
  N      -7.376084      6.717807      1.745488
  C      -6.081042      6.728639      1.316091
  C      -5.827135      6.925297     -0.061626
  C      -4.529800      6.946652     -0.526668
  C      -3.443158      6.785513      0.367443
  C      -3.657743      6.590857      1.714541
  C      -4.981606      6.547302      2.222202
  C      -1.974537     -1.111199      4.144228
  C      -3.458298     -1.479170      4.022969
  O      -4.137400     -0.587044      3.088383
  C      -4.541942      0.574754      3.590281
  O      -4.574588      0.767736      4.853952
  C      -5.119306      1.530890      2.617554
  N      -6.095592      2.276058      3.126984
  C      -6.699887      3.148481      2.289240
  N      -6.383678      3.393768      1.029654
  C      -5.338837      2.690984      0.514250
  C      -4.914155      2.981493     -0.807407
  C      -3.845958      2.305233     -1.352799
  C      -3.165323      1.315417     -0.600699
  C      -3.556887      1.004530      0.685788
  C      -4.654107      1.681252      1.275917
  C      -3.775011     -0.300090      7.458195
  C      -4.659535      0.372442      8.507382
  O      -5.508498      1.368511      7.888949
  C      -6.623688      0.889523      7.283264
  O      -6.943701     -0.286740      7.292209
  C      -7.406728      1.993377      6.611816
  N      -7.147267      3.230703      7.022357
  C      -7.870021      4.235622      6.467215
  N      -8.820696      4.121401      5.558808
  C      -9.078564      2.863583      5.102535
  C     -10.051745      2.704394      4.085799
  C     -10.301459      1.453196      3.561761
  C      -9.608517      0.317909      4.050466
  C      -8.669889      0.437482      5.052759
  C      -8.377503      1.712206      5.603238
  H      -3.165221      3.773703      8.120434
  H      -4.405524      3.149612      7.010958
  H      -3.266636      6.006988      6.884407
  H      -4.774680      5.487402      7.711182
  H      -8.601538      6.496512      3.396503
  H      -6.684393      7.049286     -0.723372
  H      -4.331671      7.093900     -1.589982
  H      -2.421181      6.823792     -0.017708
  H      -2.820512      6.479513      2.400261
  H      -1.594142     -1.616868      5.055590
  H      -1.433727     -1.548529      3.285152
  H      -3.983537     -1.445306      4.981872
  H      -3.567058     -2.478538      3.587518
  H      -7.534932      3.712253      2.714968
  H      -5.453008      3.754596     -1.356904
  H      -3.515866      2.532493     -2.369254
  H      -2.318103      0.792877     -1.047088
  H      -3.018757      0.247660      1.253413
  H      -4.436540     -0.661238      6.662614
  H      -3.310450     -1.187171      7.923950
  H      -5.282396     -0.374813      9.017658
  H      -4.066487      0.930851      9.242718
  H      -7.632462      5.241871      6.810357
  H     -10.568425      3.598368      3.730933
  H     -11.040137      1.328500      2.764507
  H      -9.827516     -0.667056      3.627703
  H      -8.151066     -0.439059      5.431673
  N      -2.653818      2.818033      3.634905
  N      -2.777908      3.616078      2.739746
  H      -2.071444      3.586540      1.970583
98
Coordinates from ORCA-job orca E -6706.374035011509
  N      -2.520568      3.474266      6.141340
  Mo     -2.722326      1.698770      5.244725
  N      -2.743070      0.575141      6.915361
  C      -1.478506      0.447201      7.641836
  C      -0.557414      1.614987      7.342413
  N      -0.563035      1.916270      5.879572
  C      -0.184922      3.332348      5.617054
  C      -1.291053      4.232737      6.162287
  C       0.311893      0.982665      5.114913
  C      -0.386551      0.700227      3.789098
  N      -1.747670      0.326479      4.113168
  H      -1.368246      5.151900      5.555909
  H      -1.071962      4.558092      7.197454
  H      -0.092288      3.442213      4.528840
  H       0.794679      3.556120      6.071598
  H       0.136348     -0.095762      3.234514
  H      -0.385568      1.604930      3.156923
  H       0.396167      0.049827      5.688733
  H       1.318466      1.413659      4.998849
  H      -1.642372      0.409208      8.734162
  H      -0.994814     -0.515620      7.375227
  H      -0.919086      2.507268      7.865213
  H       0.472680      1.413269      7.678543
  C      -3.555427      3.855108      7.075273
  C      -4.063483      5.283415      6.886203
  O      -4.825584      5.412521      5.668861
  C      -4.293160      6.137695      4.665285
  O      -3.163185      6.598044      4.659072
  C      -5.308815      6.344276      3.566166
  N      -6.576008      6.324331      3.952216
  C      -7.518978      6.540730      3.001129
  N      -7.316650      6.742293      1.713533
  C      -6.018411      6.752754      1.295553
  C      -5.752225      6.942244     -0.082948
  C      -4.452196      6.967515     -0.536406
  C      -3.372317      6.813186      0.367768
  C      -3.597903      6.621824      1.714750
  C      -4.926430      6.576448      2.212197
  C      -2.004428     -1.102910      4.133406
  C      -3.490069     -1.472092      4.041285
  O      -4.186757     -0.580349      3.120839
  C      -4.577961      0.584627      3.629221
  O      -4.598108      0.775365      4.893713
  C      -5.160659      1.545923      2.665000
  N      -6.127725      2.295045      3.186531
  C      -6.729297      3.179732      2.359279
  N      -6.414444      3.437172      1.100736
  C      -5.378329      2.730185      0.573821
  C      -4.952566      3.035047     -0.744278
  C      -3.894811      2.352414     -1.302741
  C      -3.226900      1.340927     -0.569086
  C      -3.618461      1.017217      0.714516
  C      -4.703551      1.702156      1.320028
  C      -3.768292     -0.291797      7.484434
  C      -4.653187      0.396691      8.522431
  O      -5.509089      1.373910      7.884184
  C      -6.618600      0.874643      7.286380
  O      -6.936353     -0.302354      7.329621
  C      -7.396977      1.956583      6.577244
  N      -7.123631      3.205094      6.936554
  C      -7.835186      4.194847      6.341945
  N      -8.788600      4.054256      5.440488
  C      -9.060654      2.781768      5.034592
  C     -10.033789      2.591058      4.019404
  C     -10.295936      1.326201      3.548338
  C      -9.613646      0.204955      4.081834
  C      -8.675352      0.353831      5.080834
  C      -8.371463      1.645664      5.583313
  H      -3.178248      3.777543      8.118902
  H      -4.414615      3.171659      6.996675
  H      -3.244682      6.013916      6.885834
  H      -4.766744      5.509720      7.699074
  H      -8.554396      6.526047      3.354713
  H      -6.604768      7.062595     -0.752157
  H      -4.248422      7.116056     -1.595073
  H      -2.347807      6.855936     -0.008934
  H      -2.766826      6.516479      2.408763
  H      -1.603082     -1.614788      5.032056
  H      -1.484591     -1.533446      3.260127
  H      -3.996071     -1.438777      5.010232
  H      -3.607241     -2.470448      3.607134
  H      -7.560407      3.741293      2.790850
  H      -5.481644      3.824816     -1.278887
  H      -3.563211      2.591299     -2.315124
  H      -2.388574      0.812763     -1.026026
  H      -3.089034      0.244548      1.268414
  H      -4.431074     -0.667686      6.697129
  H      -3.300598     -1.170323      7.963527
  H      -5.270484     -0.342320      9.049959
  H      -4.061728      0.974201      9.243332
  H      -7.584062      5.211648      6.642570
  H     -10.540896      3.475245      3.629329
  H     -11.035264      1.179410      2.758512
  H      -9.840991     -0.793214      3.696909
  H      -8.164388     -0.512770      5.493264
  N      -2.697428      2.827959      3.648402
  N      -2.849657      3.640279      2.771207
  H      -2.172229      3.619123      1.976077
98
Coordinates from ORCA-job orca E -6706.374065769580
  N      -2.524854      3.473493      6.143218
  Mo     -2.725310      1.699070      5.243691
  N      -2.743005      0.573319      6.913336
  C      -1.476792      0.444754      7.636762
  C      -0.558579      1.615480      7.338484
  N      -0.566760      1.919621      5.876968
  C      -0.191424      3.337377      5.616726
  C      -1.295125      4.233784      6.168698
  C       0.308005      0.988622      5.109147
  C      -0.392510      0.705556      3.785092
  N      -1.752660      0.329695      4.111092
  H      -1.371332      5.159959      5.569328
  H      -1.074704      4.550507      7.208563
  H      -0.102071      3.450669      4.529754
  H       0.788270      3.561623      6.068423
  H       0.129786     -0.089538      3.229975
  H      -0.392978      1.610110      3.153463
  H       0.395732      0.055674      5.681292
  H       1.313009      1.422714      4.990716
  H      -1.638365      0.403664      8.728523
  H      -0.992487     -0.516511      7.366639
  H      -0.922056      2.505684      7.862267
  H       0.471131      1.416306      7.673175
  C      -3.561592      3.852806      7.076654
  C      -4.066364      5.283192      6.894453
  O      -4.824239      5.416934      5.675114
  C      -4.289428      6.149690      4.674567
  O      -3.160112      6.612029      4.673320
  C      -5.302682      6.359157      3.572312
  N      -6.572996      6.344933      3.957108
  C      -7.513153      6.561125      3.002098
  N      -7.306823      6.758012      1.713210
  C      -6.007982      6.765686      1.299191
  C      -5.738227      6.949599     -0.080464
  C      -4.438175      6.972358     -0.530772
  C      -3.359423      6.815745      0.374795
  C      -3.586403      6.627204      1.721347
  C      -4.917270      6.588581      2.218299
  C      -2.008837     -1.100412      4.126835
  C      -3.494032     -1.469307      4.049917
  O      -4.195941     -0.581169      3.129600
  C      -4.584676      0.586028      3.634837
  O      -4.603320      0.777197      4.895874
  C      -5.167535      1.546711      2.668829
  N      -6.129809      2.301702      3.193154
  C      -6.730019      3.188870      2.368344
  N      -6.419042      3.440337      1.106977
  C      -5.388200      2.726169      0.575398
  C      -4.966407      3.025255     -0.745373
  C      -3.912330      2.338317     -1.305189
  C      -3.244254      1.327990     -0.571087
  C      -3.632527      1.008847      0.714299
  C      -4.713742      1.698471      1.322128
  C      -3.767739     -0.291937      7.485235
  C      -4.650842      0.398760      8.523610
  O      -5.508569      1.375586      7.887825
  C      -6.615846      0.876766      7.289187
  O      -6.930141     -0.298601      7.331440
  C      -7.393663      1.955247      6.577109
  N      -7.117040      3.205178      6.926216
  C      -7.822077      4.189183      6.314184
  N      -8.770140      4.040589      5.405211
  C      -9.046844      2.768322      5.016345
  C     -10.016508      2.573119      4.001909
  C     -10.282936      1.303547      3.539929
  C      -9.606882      0.185670      4.086297
  C      -8.671560      0.340343      5.087687
  C      -8.364991      1.637035      5.581997
  H      -3.187526      3.770718      8.121004
  H      -4.421865      3.171822      6.992911
  H      -3.247280      6.015185      6.900293
  H      -4.772013      5.504948      7.707275
  H      -8.548960      6.549878      3.352363
  H      -6.588080      7.068185     -0.753473
  H      -4.228861      7.113850     -1.594340
  H      -2.334633      6.854772     -0.000700
  H      -2.757104      6.521463      2.416367
  H      -1.596774     -1.619517      5.018255
  H      -1.499255     -1.525232      3.245752
  H      -3.989097     -1.429652      5.022882
  H      -3.616251     -2.469305      3.623390
  H      -7.556734      3.755959      2.803350
  H      -5.495199      3.814345     -1.280537
  H      -3.583194      2.573597     -2.317848
  H      -2.408355      0.796926     -1.028977
  H      -3.103129      0.236930      1.268423
  H      -4.433480     -0.668637      6.700179
  H      -3.298611     -1.170265      7.965282
  H      -5.266722     -0.339496      9.052388
  H      -4.058317      0.976318      9.243196
  H      -7.570870      5.211590      6.610009
  H     -10.517484      3.454135      3.600324
  H     -11.021354      1.153749      2.753544
  H      -9.837351     -0.812641      3.713741
  H      -8.165985     -0.523704      5.512042
  N      -2.704513      2.828934      3.647145
  N      -2.859918      3.643626      2.773435
  H      -2.188664      3.622177      1.974072
98
Coordinates from ORCA-job orca E -6706.374198882971
  N      -2.527374      3.473950      6.145186
  Mo     -2.733618      1.700641      5.246060
  N      -2.742616      0.572341      6.914720
  C      -1.470475      0.439123      7.628121
  C      -0.553365      1.610430      7.329196
  N      -0.569198      1.919714      5.868471
  C      -0.194771      3.337919      5.611100
  C      -1.298158      4.234005      6.167928
  C       0.301389      0.990948      5.092210
  C      -0.409226      0.708274      3.772585
  N      -1.767674      0.332922      4.108172
  H      -1.376734      5.158976      5.568898
  H      -1.075480      4.550462      7.205729
  H      -0.108082      3.454472      4.523554
  H       0.785655      3.559453      6.061269
  H       0.109317     -0.087029      3.213900
  H      -0.414574      1.612725      3.140315
  H       0.395776      0.057294      5.662889
  H       1.305006      1.426890      4.965517
  H      -1.623903      0.392729      8.721233
  H      -0.988909     -0.520896      7.349192
  H      -0.914827      2.498697      7.858467
  H       0.478823      1.410091      7.658253
  C      -3.568148      3.854563      7.073799
  C      -4.067726      5.286600      6.891594
  O      -4.820199      5.425401      5.668519
  C      -4.279398      6.160561      4.673790
  O      -3.149875      6.621253      4.680775
  C      -5.286296      6.375149      3.566668
  N      -6.558001      6.359296      3.943692
  C      -7.492249      6.582661      2.984565
  N      -7.279061      6.786141      1.698782
  C      -5.977691      6.791459      1.291273
  C      -5.699940      6.979156     -0.085894
  C      -4.396921      6.998168     -0.529357
  C      -3.323517      6.835460      0.381630
  C      -3.558983      6.645837      1.726973
  C      -4.892644      6.609036      2.215692
  C      -2.026344     -1.096448      4.124868
  C      -3.512656     -1.462692      4.055535
  O      -4.217980     -0.574982      3.137932
  C      -4.602551      0.592882      3.644268
  O      -4.616812      0.785082      4.906108
  C      -5.182261      1.555166      2.677220
  N      -6.142313      2.313616      3.198458
  C      -6.735303      3.205737      2.373532
  N      -6.417616      3.460310      1.116249
  C      -5.389909      2.741086      0.586685
  C      -4.961522      3.042067     -0.731222
  C      -3.911263      2.348739     -1.291120
  C      -3.252476      1.331807     -0.557854
  C      -3.646602      1.011898      0.725947
  C      -4.725155      1.706363      1.332038
  C      -3.766259     -0.286254      7.497546
  C      -4.641949      0.416175      8.533557
  O      -5.506195      1.381939      7.889247
  C      -6.612564      0.869147      7.297629
  O      -6.922430     -0.307567      7.358256
  C      -7.390959      1.934292      6.565892
  N      -7.104850      3.189791      6.883856
  C      -7.804179      4.166605      6.253734
  N      -8.757601      4.005717      5.355275
  C      -9.045599      2.724223      4.995337
  C     -10.023341      2.512608      3.991045
  C     -10.304409      1.234643      3.562765
  C      -9.632382      0.124240      4.130714
  C      -8.688359      0.294261      5.120518
  C      -8.368391      1.599724      5.582100
  H      -3.200558      3.768772      8.119967
  H      -4.430487      3.176252      6.983837
  H      -3.245998      6.015424      6.902374
  H      -4.776306      5.509085      7.701262
  H      -8.531179      6.574513      3.329679
  H      -6.546242      7.103286     -0.762755
  H      -4.181776      7.142551     -1.590394
  H      -2.297282      6.871844      0.012509
  H      -2.733719      6.535627      2.426867
  H      -1.611694     -1.615160      5.014186
  H      -1.521686     -1.523242      3.240462
  H      -4.003131     -1.420388      5.030881
  H      -3.638433     -2.463931      3.631146
  H      -7.559713      3.776802      2.806761
  H      -5.483036      3.836642     -1.265562
  H      -3.578253      2.583755     -2.303650
  H      -2.419361      0.795443     -1.015809
  H      -3.124127      0.234859      1.279230
  H      -4.436048     -0.669384      6.718242
  H      -3.297504     -1.161058      7.983379
  H      -5.251874     -0.317424      9.078441
  H      -4.043946      1.006114      9.241273
  H      -7.541816      5.192719      6.520688
  H     -10.521400      3.387691      3.571798
  H     -11.050701      1.071562      2.784382
  H      -9.872840     -0.882432      3.782080
  H      -8.187442     -0.564408      5.561464
  N      -2.722130      2.835769      3.651619
  N      -2.883732      3.658884      2.786795
  H      -2.227660      3.637935      1.974310
98
Coordinates from ORCA-job orca E -6706.374300494064
  N      -2.525506      3.479504      6.149711
  Mo     -2.745118      1.708034      5.251758
  N      -2.742787      0.575852      6.918645
  C      -1.461891      0.433841      7.615038
  C      -0.546002      1.605145      7.315199
  N      -0.572746      1.921201      5.856031
  C      -0.196739      3.339138      5.603576
  C      -1.295302      4.235753      6.170508
  C       0.288777      0.994117      5.066668
  C      -0.438405      0.711166      3.755452
  N      -1.793603      0.339300      4.108223
  H      -1.376192      5.162994      5.576087
  H      -1.065561      4.546351      7.208347
  H      -0.114870      3.458706      4.515685
  H       0.786646      3.556974      6.050583
  H       0.072621     -0.086361      3.191838
  H      -0.451039      1.614709      3.121545
  H       0.393320      0.060264      5.635044
  H       1.289247      1.432105      4.925636
  H      -1.601691      0.378089      8.709844
  H      -0.985716     -0.524146      7.320667
  H      -0.903966      2.491076      7.852152
  H       0.489283      1.402931      7.635714
  C      -3.570116      3.867172      7.069838
  C      -4.062336      5.301297      6.884179
  O      -4.807775      5.445865      5.656912
  C      -4.260590      6.182985      4.669568
  O      -3.132632      6.646243      4.685751
  C      -5.259251      6.400271      3.556675
  N      -6.532187      6.384190      3.924254
  C      -7.458862      6.617622      2.960724
  N      -7.235594      6.826063      1.677412
  C      -5.931384      6.824391      1.277576
  C      -5.643082      7.013620     -0.096630
  C      -4.335874      7.022506     -0.531767
  C      -3.271999      6.853163      0.388535
  C      -3.518596      6.666014      1.732325
  C      -4.854584      6.635622      2.209171
  C      -2.057800     -1.088668      4.131418
  C      -3.545814     -1.453209      4.064479
  O      -4.255600     -0.562802      3.154362
  C      -4.634733      0.605347      3.664550
  O      -4.637448      0.800574      4.927071
  C      -5.212704      1.570276      2.698345
  N      -6.167057      2.334188      3.220677
  C      -6.751762      3.233862      2.396663
  N      -6.428172      3.491873      1.141107
  C      -5.405991      2.766216      0.611530
  C      -4.971270      3.070981     -0.703547
  C      -3.925809      2.371752     -1.263953
  C      -3.278502      1.345222     -0.533795
  C      -3.680000      1.020579      0.746635
  C      -4.753459      1.721038      1.353423
  C      -3.762740     -0.278850      7.514290
  C      -4.636873      0.429171      8.547904
  O      -5.509360      1.383077      7.898739
  C      -6.608920      0.851890      7.308308
  O      -6.912183     -0.326889      7.389852
  C      -7.384806      1.897649      6.546403
  N      -7.086631      3.160439      6.824053
  C      -7.773488      4.123836      6.161198
  N      -8.728914      3.943068      5.268990
  C      -9.033395      2.652129      4.953004
  C     -10.019131      2.419113      3.962711
  C     -10.318720      1.130583      3.578674
  C      -9.652878      0.033435      4.178171
  C      -8.701796      0.226927      5.160036
  C      -8.365484      1.540155      5.573539
  H      -3.209879      3.778208      8.117973
  H      -4.436710      3.194623      6.973911
  H      -3.237063      6.024775      6.900017
  H      -4.775176      5.527425      7.688243
  H      -8.499279      6.612845      3.296769
  H      -6.484220      7.146499     -0.778429
  H      -4.114260      7.170014     -1.587969
  H      -2.242125      6.880191      0.026308
  H      -2.699480      6.549690      2.439290
  H      -1.646298     -1.601250      5.024085
  H      -1.553372     -1.523262      3.249195
  H      -4.032930     -1.413715      5.042139
  H      -3.672957     -2.453882      3.636567
  H      -7.570120      3.812636      2.833804
  H      -5.484098      3.873142     -1.235467
  H      -3.588159      2.609100     -2.274930
  H      -2.448560      0.804783     -0.991469
  H      -3.165725      0.236141      1.297488
  H      -4.434644     -0.671994      6.742549
  H      -3.289563     -1.147905      8.005396
  H      -5.239296     -0.302009      9.103519
  H      -4.038416      1.028259      9.246183
  H      -7.495146      5.153505      6.386646
  H     -10.512331      3.285454      3.519437
  H     -11.073899      0.949561      2.810667
  H      -9.903604     -0.981355      3.863120
  H      -8.206866     -0.621547      5.625824
  N      -2.746714      2.850317      3.661149
  N      -2.917279      3.686708      2.810661
  H      -2.282260      3.669467      1.981054
98
Coordinates from ORCA-job orca E -6706.374423495773
  N      -2.514244      3.481072      6.165586
  Mo     -2.727982      1.714106      5.257263
  N      -2.743076      0.578595      6.921944
  C      -1.469886      0.433568      7.631206
  C      -0.547464      1.601814      7.339208
  N      -0.560989      1.920130      5.880691
  C      -0.180910      3.338402      5.633998
  C      -1.281684      4.234413      6.197166
  C       0.305062      0.992503      5.098057
  C      -0.410578      0.713595      3.780047
  N      -1.769257      0.343795      4.119609
  H      -1.355161      5.165275      5.607711
  H      -1.058938      4.539159      7.237762
  H      -0.091194      3.462977      4.547091
  H       0.799458      3.553325      6.088831
  H       0.103334     -0.083614      3.219302
  H      -0.414780      1.618878      3.148534
  H       0.401678      0.057133      5.665748
  H       1.308196      1.427911      4.967520
  H      -1.620686      0.379587      8.724447
  H      -0.993996     -0.526674      7.343226
  H      -0.906119      2.488490      7.873680
  H       0.484072      1.395462      7.668098
  C      -3.557809      3.860439      7.092525
  C      -4.055081      5.295124      6.919512
  O      -4.811432      5.447187      5.700366
  C      -4.268606      6.181101      4.707174
  O      -3.131178      6.621530      4.705515
  C      -5.281575      6.421461      3.611626
  N      -6.547696      6.448331      4.003199
  C      -7.484607      6.706101      3.056134
  N      -7.279580      6.906626      1.768796
  C      -5.984188      6.865074      1.345270
  C      -5.716382      7.046861     -0.034010
  C      -4.418590      7.015982     -0.493681
  C      -3.342548      6.812125      0.404977
  C      -3.568809      6.631759      1.752941
  C      -4.896010      6.642986      2.256225
  C      -2.036920     -1.084003      4.135559
  C      -3.525342     -1.444736      4.054820
  O      -4.225864     -0.550412      3.139920
  C      -4.605576      0.618322      3.648043
  O      -4.617457      0.810607      4.910368
  C      -5.181058      1.584168      2.680356
  N      -6.118376      2.365778      3.207822
  C      -6.708027      3.260309      2.382227
  N      -6.413580      3.488139      1.114821
  C      -5.411530      2.741325      0.575800
  C      -5.012721      3.008264     -0.758161
  C      -3.989008      2.286075     -1.330048
  C      -3.326778      1.274953     -0.592071
  C      -3.692583      0.987754      0.707306
  C      -4.745289      1.710431      1.325143
  C      -3.771906     -0.271053      7.508415
  C      -4.648085      0.448089      8.532224
  O      -5.509884      1.401757      7.868517
  C      -6.620307      0.878830      7.293492
  O      -6.948426     -0.289659      7.404203
  C      -7.366118      1.917589      6.493798
  N      -7.032497      3.181088      6.723204
  C      -7.690230      4.136392      6.020849
  N      -8.645355      3.948220      5.129886
  C      -8.988283      2.655555      4.865955
  C      -9.974512      2.410259      3.878852
  C     -10.310395      1.115788      3.546786
  C      -9.678440      0.024999      4.191836
  C      -8.724795      0.229940      5.166724
  C      -8.355559      1.550540      5.533244
  H      -3.193368      3.766702      8.139226
  H      -4.422191      3.184969      6.996162
  H      -3.231846      6.020997      6.933839
  H      -4.761438      5.514084      7.731772
  H      -8.518645      6.737027      3.413123
  H      -6.564913      7.206216     -0.700066
  H      -4.211426      7.154774     -1.556452
  H      -2.320263      6.807909      0.023368
  H      -2.740235      6.492783      2.443532
  H      -1.634455     -1.602580      5.030347
  H      -1.525347     -1.515971      3.256995
  H      -4.020805     -1.407026      5.028356
  H      -3.650542     -2.443790      3.623795
  H      -7.508610      3.857183      2.825648
  H      -5.535699      3.799498     -1.296221
  H      -3.680212      2.493123     -2.356183
  H      -2.514646      0.715735     -1.059619
  H      -3.169068      0.212769      1.262624
  H      -4.439659     -0.660316      6.730758
  H      -3.309336     -1.141956      8.006286
  H      -5.259090     -0.276351      9.088694
  H      -4.050201      1.049467      9.230089
  H      -7.380447      5.166652      6.206520
  H     -10.436558      3.271277      3.393940
  H     -11.064158      0.925291      2.780246
  H      -9.954001     -0.994019      3.913523
  H      -8.251554     -0.612670      5.664023
  N      -2.705940      2.855524      3.668118
  N      -2.859612      3.685916      2.809134
  H      -2.195571      3.672037      2.002281
98
Coordinates from ORCA-job orca E -6706.374361302377
  N      -2.516099      3.498191      6.179710
  Mo     -2.711382      1.738160      5.252058
  N      -2.744531      0.587709      6.905865
  C      -1.481176      0.440085      7.630760
  C      -0.558275      1.612707      7.360197
  N      -0.554578      1.943499      5.905080
  C      -0.175328      3.365480      5.676588
  C      -1.283278      4.251423      6.236152
  C       0.323534      1.024736      5.127202
  C      -0.372545      0.754951      3.798141
  N      -1.733286      0.377284      4.116152
  H      -1.348068      5.191082      5.659825
  H      -1.074424      4.541887      7.284103
  H      -0.072158      3.502828      4.593450
  H       0.798707      3.579605      6.146276
  H       0.150436     -0.034991      3.236897
  H      -0.370176      1.666293      3.176308
  H       0.413281      0.084805      5.687637
  H       1.327367      1.462854      5.015702
  H      -1.646561      0.376978      8.720764
  H      -0.999308     -0.517099      7.342384
  H      -0.924512      2.493853      7.897332
  H       0.468861      1.405502      7.699336
  C      -3.568303      3.872012      7.099770
  C      -4.065134      5.307116      6.929004
  O      -4.806498      5.463072      5.702447
  C      -4.251411      6.193799      4.711929
  O      -3.108553      6.620649      4.714185
  C      -5.253337      6.433126      3.605608
  N      -6.522323      6.489749      3.987697
  C      -7.449655      6.735947      3.027966
  N      -7.233359      6.905736      1.737648
  C      -5.936180      6.842179      1.325977
  C      -5.656335      6.994523     -0.055521
  C      -4.357167      6.940470     -0.504722
  C      -3.289509      6.738585      0.403954
  C      -3.526443      6.584962      1.753346
  C      -4.856899      6.623692      2.248927
  C      -1.995977     -1.052184      4.115518
  C      -3.481892     -1.418891      4.012826
  O      -4.175372     -0.519193      3.096651
  C      -4.563043      0.646486      3.606739
  O      -4.590052      0.829033      4.869090
  C      -5.139884      1.614936      2.641397
  N      -6.062387      2.408853      3.178641
  C      -6.663951      3.297097      2.355165
  N      -6.407660      3.495390      1.074473
  C      -5.423637      2.733805      0.521970
  C      -5.072221      2.962946     -0.831495
  C      -4.068848      2.224418     -1.418679
  C      -3.378405      1.235626     -0.677316
  C      -3.697249      0.985370      0.641032
  C      -4.731688      1.722633      1.274978
  C      -3.773092     -0.281025      7.464154
  C      -4.656737      0.401574      8.506659
  O      -5.529917      1.363104      7.869520
  C      -6.637718      0.843068      7.290986
  O      -6.948630     -0.330931      7.370445
  C      -7.418391      1.896244      6.547080
  N      -7.111699      3.157004      6.821674
  C      -7.806441      4.120000      6.167616
  N      -8.766584      3.941865      5.279394
  C      -9.083518      2.654583      4.972364
  C     -10.072275      2.422009      3.984048
  C     -10.383469      1.133840      3.610445
  C      -9.717139      0.036111      4.204589
  C      -8.755120      0.226997      5.172816
  C      -8.416695      1.542859      5.590533
  H      -3.213091      3.775376      8.149589
  H      -4.430060      3.196477      6.992611
  H      -3.244116      6.035363      6.957627
  H      -4.781551      5.520401      7.735240
  H      -8.485672      6.782555      3.376537
  H      -6.496849      7.152543     -0.731223
  H      -4.140378      7.055992     -1.570143
  H      -2.265756      6.715464      0.029376
  H      -2.704581      6.453722      2.451465
  H      -1.602918     -1.580064      5.011303
  H      -1.471346     -1.472679      3.241706
  H      -3.988889     -1.392752      4.980479
  H      -3.596792     -2.413414      3.571281
  H      -7.450088      3.903987      2.806713
  H      -5.614941      3.738382     -1.372161
  H      -3.797548      2.401678     -2.458973
  H      -2.582601      0.663743     -1.157516
  H      -3.154711      0.224627      1.197246
  H      -4.436306     -0.650991      6.673482
  H      -3.306996     -1.162742      7.940126
  H      -5.261158     -0.344909      9.040222
  H      -4.066295      0.988317      9.222251
  H      -7.516496      5.151786      6.387673
  H     -10.553358      3.289536      3.531586
  H     -11.137650      0.954885      2.844903
  H      -9.967332     -0.975994      3.887702
  H      -8.248388     -0.620609      5.625686
  N      -2.662858      2.883198      3.669330
  N      -2.798986      3.706039      2.801084
  H      -2.101963      3.696165      2.022390
98
Coordinates from ORCA-job orca E -6706.374720912175
  N      -2.529129      3.494364      6.166867
  Mo     -2.735327      1.728091      5.255285
  N      -2.744811      0.585496      6.915641
  C      -1.469431      0.440638      7.620902
  C      -0.552630      1.614278      7.335041
  N      -0.568108      1.940034      5.878453
  C      -0.193735      3.361172      5.640529
  C      -1.297445      4.248790      6.209022
  C       0.301154      1.019345      5.091690
  C      -0.415376      0.739068      3.774682
  N      -1.771516      0.362840      4.115984
  H      -1.370056      5.185346      5.628681
  H      -1.078260      4.543990      7.253359
  H      -0.103106      3.493466      4.554934
  H       0.785082      3.577909      6.098222
  H       0.100686     -0.054726      3.211384
  H      -0.424218      1.645827      3.145577
  H       0.404178      0.083164      5.656703
  H       1.301508      1.460600      4.960298
  H      -1.617485      0.378163      8.713938
  H      -0.990433     -0.515642      7.324995
  H      -0.915163      2.496300      7.874366
  H       0.479895      1.410948      7.662262
  C      -3.582252      3.876374      7.081575
  C      -4.069934      5.314011      6.905098
  O      -4.800667      5.475232      5.671815
  C      -4.234550      6.209655      4.691973
  O      -3.099450      6.654905      4.719451
  C      -5.223561      6.456546      3.576300
  N      -6.497393      6.498517      3.941267
  C      -7.412452      6.753188      2.971950
  N      -7.179134      6.937131      1.686790
  C      -5.875709      6.882882      1.291321
  C      -5.577293      7.047510     -0.084271
  C      -4.270753      7.000803     -0.516016
  C      -3.215687      6.797144      0.407043
  C      -3.471722      6.633257      1.751839
  C      -4.808806      6.662098      2.227266
  C      -2.036358     -1.065307      4.126488
  C      -3.523894     -1.429103      4.036864
  O      -4.224643     -0.531540      3.125244
  C      -4.608728      0.633211      3.639412
  O      -4.619811      0.817245      4.902472
  C      -5.188772      1.605844      2.680470
  N      -6.116980      2.389468      3.222033
  C      -6.714002      3.289638      2.407749
  N      -6.440674      3.515396      1.135298
  C      -5.448573      2.766615      0.580388
  C      -5.077135      3.028428     -0.762202
  C      -4.061267      2.308342     -1.350397
  C      -3.377591      1.306841     -0.619639
  C      -3.717317      1.023622      0.687507
  C      -4.766552      1.738914      1.320646
  C      -3.765610     -0.276714      7.497540
  C      -4.642354      0.421733      8.535185
  O      -5.521852      1.368072      7.884781
  C      -6.623956      0.828821      7.309579
  O      -6.926760     -0.347159      7.410678
  C      -7.399234      1.860308      6.528984
  N      -7.082538      3.127317      6.760742
  C      -7.762530      4.075481      6.069880
  N      -8.723943      3.876524      5.188178
  C      -9.053315      2.580555      4.924537
  C     -10.050438      2.324801      3.950883
  C     -10.378897      1.027488      3.624801
  C      -9.725896     -0.056280      4.259617
  C      -8.758747      0.158096      5.219025
  C      -8.398471      1.482867      5.581822
  H      -3.232141      3.778936      8.132844
  H      -4.448811      3.205776      6.971546
  H      -3.244091      6.036429      6.939318
  H      -4.791037      5.532523      7.704674
  H      -8.453564      6.793012      3.305765
  H      -6.409763      7.207184     -0.770130
  H      -4.040476      7.126261     -1.575759
  H      -2.185990      6.778589      0.046737
  H      -2.659584      6.493862      2.461234
  H      -1.638725     -1.586146      5.022582
  H      -1.518700     -1.493713      3.250454
  H      -4.022730     -1.398862      5.008956
  H      -3.643881     -2.425529      3.598901
  H      -7.503381      3.890863      2.865037
  H      -5.614326      3.814545     -1.293557
  H      -3.773832      2.511120     -2.383236
  H      -2.569654      0.751570     -1.099009
  H      -3.177825      0.254926      1.235596
  H      -4.434554     -0.662039      6.718640
  H      -3.293837     -1.149617      7.983210
  H      -5.239511     -0.316401      9.088426
  H      -4.047531      1.024145      9.234486
  H      -7.465776      5.109697      6.255736
  H     -10.527836      3.181058      3.472832
  H     -11.142929      0.829582      2.871168
  H      -9.994952     -1.077866      3.985709
  H      -8.269218     -0.679409      5.708803
  N      -2.714187      2.865443      3.664911
  N      -2.869128      3.690213      2.800787
  H      -2.186071      3.688757      2.009594
98
Coordinates from ORCA-job orca E -6706.374649260101
  N      -2.545036      3.495299      6.167723
  Mo     -2.745387      1.732118      5.250748
  N      -2.741599      0.581538      6.906337
  C      -1.460508      0.436160      7.601261
  C      -0.551966      1.616886      7.319957
  N      -0.575781      1.952888      5.865804
  C      -0.211057      3.378014      5.637306
  C      -1.317268      4.254672      6.217805
  C       0.295363      1.042720      5.068378
  C      -0.427853      0.762440      3.754821
  N      -1.779567      0.377251      4.103639
  H      -1.395087      5.197863      5.648930
  H      -1.097083      4.538010      7.265684
  H      -0.125930      3.518409      4.552394
  H       0.768457      3.597405      6.092718
  H       0.089536     -0.026606      3.185755
  H      -0.446668      1.671166      3.128673
  H       0.410127      0.104993      5.628208
  H       1.290892      1.492753      4.931600
  H      -1.600684      0.363424      8.694769
  H      -0.979185     -0.514936      7.293033
  H      -0.918492      2.492662      7.867233
  H       0.483451      1.418194      7.641395
  C      -3.605838      3.864720      7.077758
  C      -4.098841      5.301678      6.911267
  O      -4.823877      5.473652      5.675703
  C      -4.253429      6.220138      4.708329
  O      -3.115877      6.658288      4.742006
  C      -5.225556      6.457340      3.576470
  N      -6.504334      6.507700      3.921052
  C      -7.401652      6.764563      2.935437
  N      -7.146519      6.936776      1.652701
  C      -5.837399      6.870802      1.278196
  C      -5.514707      7.024872     -0.093301
  C      -4.200657      6.971680     -0.502082
  C      -3.162746      6.772787      0.441339
  C      -3.442912      6.619061      1.782681
  C      -4.787765      6.653037      2.233471
  C      -2.038698     -1.051655      4.111615
  C      -3.525240     -1.422025      4.022082
  O      -4.231888     -0.523926      3.116493
  C      -4.620119      0.636875      3.637204
  O      -4.628638      0.815990      4.901513
  C      -5.196205      1.615753      2.682708
  N      -6.116936      2.406041      3.227429
  C      -6.700468      3.320060      2.417895
  N      -6.421206      3.551022      1.146834
  C      -5.438102      2.792853      0.588954
  C      -5.060941      3.058601     -0.751545
  C      -4.050457      2.332377     -1.341221
  C      -3.378877      1.320011     -0.614280
  C      -3.726557      1.030888      0.689765
  C      -4.770193      1.752375      1.324367
  C      -3.757905     -0.278855      7.497948
  C      -4.630244      0.427391      8.534249
  O      -5.511048      1.368584      7.879336
  C      -6.612855      0.823081      7.309527
  O      -6.922936     -0.349485      7.435483
  C      -7.382425      1.844779      6.510872
  N      -7.033293      3.110815      6.695174
  C      -7.698971      4.051514      5.980989
  N      -8.678772      3.845568      5.120554
  C      -9.044525      2.549119      4.907541
  C     -10.066437      2.284347      3.962140
  C     -10.434121      0.985610      3.689504
  C      -9.796737     -0.090745      4.351824
  C      -8.806512      0.133342      5.286515
  C      -8.404935      1.459164      5.592431
  H      -3.263121      3.757917      8.130259
  H      -4.469739      3.192352      6.954700
  H      -3.275605      6.026198      6.957233
  H      -4.825718      5.510393      7.708001
  H      -8.446644      6.818587      3.251348
  H      -6.334932      7.184187     -0.794195
  H      -3.952807      7.093231     -1.556604
  H      -2.126414      6.749746      0.099005
  H      -2.643857      6.482810      2.508098
  H      -1.639052     -1.571402      5.006680
  H      -1.519712     -1.476896      3.234565
  H      -4.022525     -1.398573      4.995290
  H      -3.640799     -2.417032      3.579068
  H      -7.481592      3.929790      2.879561
  H      -5.589187      3.853053     -1.279613
  H      -3.758136      2.538439     -2.372277
  H      -2.574001      0.760837     -1.093791
  H      -3.195815      0.253546      1.234793
  H      -4.429806     -0.669968      6.724734
  H      -3.283408     -1.148512      7.986627
  H      -5.224361     -0.305447      9.096688
  H      -4.032111      1.035359      9.224843
  H      -7.373145      5.083174      6.125423
  H     -10.534375      3.134295      3.464461
  H     -11.219497      0.781177      2.959641
  H     -10.097893     -1.114200      4.122160
  H      -8.330975     -0.698235      5.799590
  N      -2.740742      2.878152      3.666191
  N      -2.910273      3.710666      2.812053
  H      -2.248054      3.709618      2.003410
98
Coordinates from ORCA-job orca E -6706.374761599410
  N      -2.524387      3.494410      6.163143
  Mo     -2.729818      1.727090      5.254154
  N      -2.742716      0.586868      6.916011
  C      -1.467250      0.439869      7.620633
  C      -0.550175      1.613562      7.336316
  N      -0.563190      1.939355      5.879434
  C      -0.189181      3.360717      5.642957
  C      -1.291782      4.246074      6.214617
  C       0.307229      1.018883      5.093567
  C      -0.409463      0.733307      3.777765
  N      -1.764766      0.357627      4.121320
  H      -1.361006      5.188235      5.642702
  H      -1.073663      4.531507      7.262697
  H      -0.099300      3.494154      4.557720
  H       0.790032      3.578107      6.100588
  H       0.106834     -0.062273      3.217059
  H      -0.419174      1.638008      3.145694
  H       0.413137      0.084411      5.660370
  H       1.306079      1.462226      4.960264
  H      -1.614908      0.375492      8.713575
  H      -0.989039     -0.516094      7.322476
  H      -0.914418      2.495367      7.875046
  H       0.481878      1.410935      7.665175
  C      -3.577551      3.870854      7.079097
  C      -4.067739      5.309028      6.917699
  O      -4.809716      5.483079      5.692777
  C      -4.253587      6.226843      4.715503
  O      -3.115092      6.664174      4.730052
  C      -5.250484      6.481486      3.609485
  N      -6.520623      6.540269      3.984832
  C      -7.438722      6.813031      3.022671
  N      -7.211892      6.993453      1.735407
  C      -5.912418      6.920279      1.329931
  C      -5.619961      7.083845     -0.047385
  C      -4.315970      7.025219     -0.486369
  C      -3.258189      6.811117      0.431207
  C      -3.508923      6.646880      1.776939
  C      -4.842782      6.686026      2.258687
  C      -2.030565     -1.070018      4.138863
  C      -3.518140     -1.433792      4.040354
  O      -4.213463     -0.537529      3.124258
  C      -4.599791      0.628496      3.634463
  O      -4.613262      0.816395      4.897967
  C      -5.170324      1.600262      2.670548
  N      -6.086314      2.401125      3.207805
  C      -6.669726      3.305179      2.387693
  N      -6.400028      3.512016      1.109841
  C      -5.422680      2.741573      0.558479
  C      -5.056786      2.979650     -0.790234
  C      -4.051393      2.241253     -1.373407
  C      -3.374094      1.243341     -0.631904
  C      -3.711800      0.980128      0.680048
  C      -4.750071      1.714817      1.308481
  C      -3.766394     -0.272520      7.497244
  C      -4.645111      0.431540      8.530935
  O      -5.518731      1.379961      7.874517
  C      -6.617039      0.840935      7.291246
  O      -6.922131     -0.334722      7.395645
  C      -7.384763      1.869271      6.497364
  N      -7.051589      3.136606      6.705092
  C      -7.720381      4.080449      5.996967
  N      -8.683803      3.876978      5.118359
  C      -9.031479      2.581698      4.880309
  C     -10.035247      2.322530      3.914939
  C     -10.388794      1.025009      3.619570
  C      -9.755177     -0.055476      4.278681
  C      -8.780758      0.163116      5.231276
  C      -8.392962      1.488156      5.560223
  H      -3.226091      3.764770      8.128844
  H      -4.444647      3.201491      6.964494
  H      -3.242484      6.031714      6.953531
  H      -4.782725      5.519134      7.724610
  H      -8.475404      6.874685      3.363881
  H      -6.454467      7.254934     -0.728128
  H      -4.091020      7.154133     -1.545462
  H      -2.229949      6.784398      0.065007
  H      -2.694771      6.498543      2.482606
  H      -1.640990     -1.584813      5.041699
  H      -1.506164     -1.504593      3.270336
  H      -4.022455     -1.402521      5.009763
  H      -3.635242     -2.430348      3.601872
  H      -7.445590      3.924701      2.844483
  H      -5.589129      3.763508     -1.329511
  H      -3.767663      2.426324     -2.410418
  H      -2.572893      0.674777     -1.106231
  H      -3.177239      0.212943      1.235971
  H      -4.434157     -0.657156      6.717455
  H      -3.297882     -1.146325      7.984581
  H      -5.246458     -0.302086      9.083852
  H      -4.050662      1.032798      9.229666
  H      -7.410123      5.114016      6.161345
  H     -10.500687      3.176654      3.421679
  H     -11.160040      0.824543      2.874389
  H     -10.045931     -1.077413      4.031661
  H      -8.307406     -0.671822      5.740996
  N      -2.705831      2.858931      3.661428
  N      -2.860442      3.679262      2.792282
  H      -2.189937      3.658117      1.990920
98
Coordinates from ORCA-job orca E -6706.374701563974
  N      -2.528266      3.504946      6.179378
  Mo     -2.730506      1.742198      5.260299
  N      -2.744414      0.592239      6.915624
  C      -1.470442      0.443525      7.622468
  C      -0.553315      1.618986      7.344874
  N      -0.564668      1.951968      5.889652
  C      -0.191206      3.374603      5.659245
  C      -1.295572      4.257489      6.232701
  C       0.307196      1.035339      5.101375
  C      -0.407090      0.756231      3.782572
  N      -1.763204      0.378126      4.120712
  H      -1.364134      5.200708      5.662301
  H      -1.079819      4.541670      7.280829
  H      -0.100419      3.513826      4.574131
  H       0.787042      3.590046      6.118307
  H       0.110595     -0.036081      3.218845
  H      -0.414926      1.664390      3.155145
  H       0.411857      0.097773      5.664274
  H       1.306930      1.479149      4.972417
  H      -1.620362      0.374158      8.714827
  H      -0.990636     -0.510956      7.321620
  H      -0.917483      2.498078      7.887421
  H       0.478158      1.414230      7.674047
  C      -3.583445      3.883110      7.094240
  C      -4.070403      5.321670      6.924109
  O      -4.799198      5.487241      5.690252
  C      -4.225712      6.209632      4.706025
  O      -3.087286      6.646948      4.732199
  C      -5.214666      6.466116      3.592613
  N      -6.486313      6.538434      3.962631
  C      -7.399869      6.797422      2.992852
  N      -7.168690      6.953079      1.703615
  C      -5.868475      6.866592      1.303605
  C      -5.572803      7.001250     -0.075548
  C      -4.268804      6.924879     -0.510799
  C      -3.213248      6.719782      0.411353
  C      -3.466917      6.583445      1.759227
  C      -4.801758      6.643292      2.238989
  C      -2.028446     -1.049925      4.127129
  C      -3.516043     -1.411654      4.025483
  O      -4.210136     -0.509397      3.112871
  C      -4.597193      0.652685      3.630025
  O      -4.610460      0.830292      4.894275
  C      -5.179110      1.628815      2.676813
  N      -6.098217      2.416995      3.227504
  C      -6.701412      3.318411      2.420130
  N      -6.451419      3.533029      1.141195
  C      -5.472399      2.776036      0.573928
  C      -5.129589      3.021967     -0.779113
  C      -4.124509      2.296934     -1.379728
  C      -3.422568      1.306881     -0.650621
  C      -3.735885      1.037613      0.665970
  C      -4.775401      1.756082      1.311104
  C      -3.765639     -0.278092      7.484599
  C      -4.646044      0.407783      8.528585
  O      -5.527230      1.358670      7.885151
  C      -6.626633      0.821398      7.302362
  O      -6.919297     -0.358061      7.384409
  C      -7.400261      1.854000      6.520186
  N      -7.081895      3.121494      6.748502
  C      -7.757583      4.068929      6.051533
  N      -8.710433      3.868802      5.161149
  C      -9.042190      2.573530      4.901388
  C     -10.033324      2.317572      3.922420
  C     -10.370393      1.019441      3.605278
  C      -9.732985     -0.064350      4.255763
  C      -8.769211      0.149930      5.217636
  C      -8.398637      1.476105      5.570711
  H      -3.235225      3.781191      8.146041
  H      -4.450507      3.213406      6.979380
  H      -3.244652      6.044073      6.962567
  H      -4.791580      5.536462      7.724401
  H      -8.438659      6.869591      3.330939
  H      -6.404631      7.162231     -0.761521
  H      -4.039578      7.026427     -1.575208
  H      -2.185567      6.678367      0.047850
  H      -2.654565      6.443714      2.467822
  H      -1.639156     -1.573359      5.025963
  H      -1.503363     -1.477407      3.255104
  H      -4.021044     -1.385538      4.994498
  H      -3.633623     -2.405838      3.582120
  H      -7.478842      3.926814      2.888608
  H      -5.680154      3.800001     -1.308658
  H      -3.859656      2.486979     -2.421006
  H      -2.621931      0.748833     -1.139119
  H      -3.183378      0.276238      1.211317
  H      -4.432228     -0.653626      6.698640
  H      -3.294573     -1.156865      7.960200
  H      -5.242404     -0.337529      9.073556
  H      -4.053462      1.004946      9.234785
  H      -7.459807      5.103955      6.234388
  H     -10.500550      3.173616      3.433915
  H     -11.130154      0.820849      2.847174
  H     -10.010690     -1.086237      3.991032
  H      -8.291238     -0.687319      5.718808
  N      -2.700070      2.878178      3.671774
  N      -2.846366      3.694563      2.797785
  H      -2.149505      3.688984      2.018820
98
Coordinates from ORCA-job orca E -6706.374801841569
  N      -2.535332      3.497681      6.167875
  Mo     -2.731185      1.732315      5.252891
  N      -2.741610      0.585128      6.910209
  C      -1.466489      0.439338      7.615441
  C      -0.553919      1.618117      7.338204
  N      -0.566313      1.950864      5.882942
  C      -0.198139      3.374997      5.652951
  C      -1.305379      4.253462      6.226482
  C       0.309461      1.037448      5.094955
  C      -0.403910      0.753987      3.776847
  N      -1.758217      0.370884      4.116208
  H      -1.376010      5.198257      5.659240
  H      -1.091577      4.534479      7.276352
  H      -0.107854      3.513607      4.568267
  H       0.779536      3.594581      6.112298
  H       0.116766     -0.036988      3.213850
  H      -0.416109      1.661201      3.148467
  H       0.418476      0.101080      5.658282
  H       1.306731      1.485721      4.965213
  H      -1.615228      0.368769      8.707841
  H      -0.984129     -0.513219      7.313083
  H      -0.922366      2.495668      7.880712
  H       0.478467      1.417983      7.667480
  C      -3.595119      3.869340      7.078650
  C      -4.085571      5.307226      6.914717
  O      -4.814728      5.479801      5.682029
  C      -4.246686      6.219355      4.708017
  O      -3.110775      6.662562      4.737902
  C      -5.231803      6.470194      3.590279
  N      -6.506201      6.524321      3.952280
  C      -7.416193      6.781173      2.978226
  N      -7.178178      6.947642      1.691382
  C      -5.874405      6.879653      1.299601
  C      -5.570375      7.026997     -0.076956
  C      -4.262324      6.971661     -0.503045
  C      -3.211237      6.776060      0.426325
  C      -3.473103      6.626879      1.771671
  C      -4.811912      6.663814      2.241292
  C      -2.018327     -1.057952      4.126383
  C      -3.504462     -1.426932      4.023022
  O      -4.201596     -0.528946      3.109531
  C      -4.592940      0.633267      3.624327
  O      -4.608855      0.814084      4.888554
  C      -5.170483      1.607773      2.667202
  N      -6.090901      2.398867      3.211831
  C      -6.684346      3.303316      2.399854
  N      -6.421221      3.520000      1.122845
  C      -5.439963      2.760570      0.563288
  C      -5.081812      3.010007     -0.785365
  C      -4.073298      2.283192     -1.377742
  C      -3.383921      1.287032     -0.645154
  C      -3.712844      1.013725      0.666957
  C      -4.755454      1.734831      1.304368
  C      -3.762120     -0.281045      7.486445
  C      -4.641688      0.412261      8.526150
  O      -5.519994      1.361850      7.877901
  C      -6.616859      0.822859      7.292584
  O      -6.919686     -0.353531      7.391794
  C      -7.394162      1.857101      6.517081
  N      -7.057508      3.121902      6.731627
  C      -7.731496      4.072448      6.037974
  N      -8.702360      3.877137      5.165563
  C      -9.054163      2.583857      4.920485
  C     -10.064995      2.332580      3.959690
  C     -10.422080      1.037618      3.657370
  C      -9.784936     -0.048527      4.303657
  C      -8.803005      0.161516      5.249429
  C      -8.411498      1.484243      5.586649
  H      -3.251253      3.762074      8.130987
  H      -4.460377      3.198982      6.956450
  H      -3.261527      6.031122      6.958440
  H      -4.808706      5.516151      7.714980
  H      -8.457097      6.837729      3.308509
  H      -6.399632      7.182418     -0.767680
  H      -4.028311      7.086616     -1.562681
  H      -2.180019      6.751733      0.069918
  H      -2.664456      6.493040      2.486014
  H      -1.628478     -1.576208      5.027372
  H      -1.490462     -1.486122      3.256749
  H      -4.010636     -1.402308      4.991447
  H      -3.616858     -2.421837      3.579761
  H      -7.463218      3.913990      2.862959
  H      -5.622887      3.793088     -1.317244
  H      -3.795929      2.476613     -2.414948
  H      -2.580064      0.727944     -1.126629
  H      -3.169081      0.248046      1.215231
  H      -4.429454     -0.662065      6.704418
  H      -3.290457     -1.156660      7.967383
  H      -5.239444     -0.327897      9.075123
  H      -4.048340      1.011719      9.228313
  H      -7.418430      5.104594      6.208674
  H     -10.532166      3.190614      3.475164
  H     -11.197911      0.843431      2.915233
  H     -10.078297     -1.068515      4.050714
  H      -8.325587     -0.677724      5.747774
  N      -2.707902      2.867597      3.663193
  N      -2.862716      3.685978      2.792561
  H      -2.174366      3.681865      2.006090
98
Coordinates from ORCA-job orca E -6706.374707229559
  N      -2.523631      3.506189      6.165202
  Mo     -2.735268      1.739278      5.257293
  N      -2.742203      0.597973      6.918652
  C      -1.463582      0.448606      7.617044
  C      -0.546714      1.621819      7.330114
  N      -0.565111      1.948560      5.873286
  C      -0.191085      3.369751      5.635818
  C      -1.289282      4.255007      6.216061
  C       0.301052      1.027493      5.083261
  C      -0.422820      0.740823      3.771232
  N      -1.776939      0.367004      4.121552
  H      -1.357983      5.200579      5.649621
  H      -1.066852      4.534229      7.264792
  H      -0.108709      3.504617      4.549848
  H       0.791203      3.585604      6.086838
  H       0.090030     -0.056100      3.209241
  H      -0.434285      1.644707      3.137798
  H       0.410304      0.093330      5.650284
  H       1.299268      1.470890      4.944052
  H      -1.605993      0.381985      8.710624
  H      -0.987539     -0.507080      7.314466
  H      -0.908415      2.503420      7.870849
  H       0.486474      1.418179      7.654971
  C      -3.573053      3.880241      7.086832
  C      -4.057853      5.321488      6.936848
  O      -4.802449      5.507215      5.715066
  C      -4.243260      6.250977      4.739811
  O      -3.097935      6.670423      4.748418
  C      -5.234427      6.501894      3.627564
  N      -6.505595      6.574646      3.997539
  C      -7.417342      6.845139      3.028530
  N      -7.184216      7.007418      1.740186
  C      -5.883620      6.920787      1.340804
  C      -5.584102      7.066742     -0.036720
  C      -4.278239      6.996922     -0.468725
  C      -3.225329      6.788612      0.455899
  C      -3.483218      6.640624      1.802035
  C      -4.819452      6.690750      2.276742
  C      -2.044873     -1.060067      4.142545
  C      -3.533634     -1.420644      4.047353
  O      -4.229140     -0.523479      3.132348
  C      -4.612394      0.643073      3.643027
  O      -4.620134      0.831304      4.906857
  C      -5.184253      1.615584      2.681510
  N      -6.089347      2.425756      3.223502
  C      -6.673014      3.331337      2.405662
  N      -6.415541      3.529391      1.124202
  C      -5.450430      2.748174      0.566599
  C      -5.098692      2.974907     -0.787864
  C      -4.104405      2.226759     -1.377746
  C      -3.424183      1.230328     -0.636875
  C      -3.748866      0.977621      0.680535
  C      -4.776231      1.721628      1.315388
  C      -3.763433     -0.263997      7.499672
  C      -4.644749      0.438778      8.531945
  O      -5.523385      1.380973      7.872496
  C      -6.614226      0.832420      7.283491
  O      -6.905646     -0.347178      7.381909
  C      -7.382704      1.852072      6.478840
  N      -7.053819      3.121919      6.677399
  C      -7.720152      4.058836      5.957694
  N      -8.676987      3.845929      5.074416
  C      -9.021731      2.547810      4.846491
  C     -10.019132      2.278998      3.877296
  C     -10.370941      0.978206      3.592659
  C      -9.742261     -0.095689      4.267519
  C      -8.773067      0.132153      5.222726
  C      -8.386208      1.460859      5.540321
  H      -3.219354      3.765478      8.135033
  H      -4.443623      3.215176      6.970052
  H      -3.229596      6.040777      6.975231
  H      -4.769230      5.528819      7.747442
  H      -8.455196      6.920843      3.364958
  H      -6.414579      7.233757     -0.723379
  H      -4.047472      7.111924     -1.528908
  H      -2.195670      6.753853      0.095000
  H      -2.672984      6.496578      2.513298
  H      -1.655187     -1.574039      5.045783
  H      -1.522456     -1.497594      3.273967
  H      -4.035442     -1.387860      5.017930
  H      -3.653729     -2.417210      3.609539
  H      -7.437273      3.961020      2.868307
  H      -5.632855      3.758210     -1.326172
  H      -3.831774      2.402835     -2.419586
  H      -2.631297      0.654105     -1.116221
  H      -3.212563      0.210626      1.235044
  H      -4.429830     -0.650106      6.719217
  H      -3.293276     -1.136758      7.987125
  H      -5.242274     -0.296391      9.087641
  H      -4.052713      1.045865      9.228506
  H      -7.415338      5.094807      6.116701
  H     -10.481466      3.128228      3.372581
  H     -11.137320      0.769939      2.844063
  H     -10.032673     -1.120539      4.030205
  H      -8.302745     -0.697766      5.743265
  N      -2.715929      2.868446      3.663668
  N      -2.871340      3.683643      2.789612
  H      -2.197040      3.661980      1.991493
98
Coordinates from ORCA-job orca E -6706.374827989160
  N      -2.535510      3.501571      6.168774
  Mo     -2.734329      1.736459      5.254303
  N      -2.742104      0.589231      6.911668
  C      -1.465256      0.441752      7.613367
  C      -0.552793      1.620344      7.335100
  N      -0.567791      1.953788      5.879922
  C      -0.199776      3.377916      5.649941
  C      -1.304777      4.255865      6.228103
  C       0.306075      1.040431      5.089602
  C      -0.410913      0.755957      3.773546
  N      -1.764386      0.373483      4.116676
  H      -1.375146      5.202919      5.664502
  H      -1.088745      4.532727      7.278783
  H      -0.113284      3.517273      4.565019
  H       0.779543      3.596978      6.106075
  H       0.108214     -0.035708      3.210008
  H      -0.424432      1.662597      3.144294
  H       0.417310      0.104357      5.652940
  H       1.302676      1.489196      4.956687
  H      -1.611107      0.369721      8.706077
  H      -0.984203     -0.510602      7.308266
  H      -0.920145      2.497683      7.878762
  H       0.480153      1.419805      7.662378
  C      -3.593435      3.871239      7.082397
  C      -4.082856      5.309892      6.924136
  O      -4.814912      5.486604      5.693661
  C      -4.245715      6.223494      4.718722
  O      -3.107236      6.660377      4.745560
  C      -5.230951      6.477955      3.602027
  N      -6.504649      6.541045      3.965152
  C      -7.413274      6.805219      2.991619
  N      -7.174688      6.969845      1.704576
  C      -5.871583      6.892893      1.311959
  C      -5.566657      7.040243     -0.064369
  C      -4.258667      6.978954     -0.490305
  C      -3.208719      6.777079      0.439042
  C      -3.471631      6.627305      1.784085
  C      -4.810312      6.670116      2.253224
  C      -2.024855     -1.055167      4.130233
  C      -3.511334     -1.423618      4.027807
  O      -4.208495     -0.526030      3.114310
  C      -4.599048      0.636798      3.628201
  O      -4.612656      0.819474      4.892588
  C      -5.174772      1.610518      2.669903
  N      -6.088300      2.409880      3.214192
  C      -6.678162      3.314871      2.400249
  N      -6.419344      3.522801      1.120634
  C      -5.445592      2.753879      0.561005
  C      -5.092563      2.992502     -0.791031
  C      -4.090462      2.256831     -1.383304
  C      -3.403069      1.261774     -0.647337
  C      -3.728145      0.998008      0.667735
  C      -4.763929      1.728582      1.305154
  C      -3.762249     -0.276662      7.488920
  C      -4.640933      0.417552      8.529064
  O      -5.520525      1.366680      7.881393
  C      -6.615799      0.825760      7.294424
  O      -6.910881     -0.353376      7.385792
  C      -7.388964      1.855661      6.508450
  N      -7.054308      3.122059      6.717559
  C      -7.724899      4.068331      6.014646
  N      -8.690110      3.867376      5.137302
  C      -9.040370      2.572703      4.898310
  C     -10.046352      2.316018      3.934140
  C     -10.403450      1.019336      3.638975
  C      -9.771463     -0.062894      4.296888
  C      -8.794080      0.152746      5.246389
  C      -8.401885      1.477171      5.575286
  H      -3.247932      3.759918      8.133740
  H      -4.459947      3.202425      6.959332
  H      -3.257932      6.032729      6.967817
  H      -4.803462      5.517278      7.726871
  H      -8.453257      6.872156      3.322634
  H      -6.394996      7.201404     -0.754922
  H      -4.023938      7.095175     -1.549464
  H      -2.177389      6.748725      0.082748
  H      -2.663762      6.488844      2.498689
  H      -1.635458     -1.571390      5.032485
  H      -1.497064     -1.485723      3.261701
  H      -4.016880     -1.398224      4.996574
  H      -3.624331     -2.418686      3.584981
  H      -7.450799      3.933275      2.863830
  H      -5.632334      3.774666     -1.325471
  H      -3.816923      2.442058     -2.423080
  H      -2.604080      0.695625     -1.128545
  H      -3.186219      0.232412      1.218241
  H      -4.430354     -0.657481      6.707519
  H      -3.290502     -1.152512      7.969325
  H      -5.237713     -0.322058      9.079595
  H      -4.046829      1.017800      9.229657
  H      -7.414257      5.101694      6.181244
  H     -10.510479      3.171334      3.441860
  H     -11.175911      0.820784      2.894405
  H     -10.065556     -1.084317      4.050659
  H      -8.320747     -0.683506      5.753714
  N      -2.714020      2.871111      3.664728
  N      -2.869793      3.687379      2.792036
  H      -2.188102      3.674689      1.999981
98
Coordinates from ORCA-job orca E -6706.374823325948
  N      -2.528675      3.504989      6.170095
  Mo     -2.729684      1.739600      5.256394
  N      -2.740461      0.592777      6.914116
  C      -1.464757      0.444478      7.617700
  C      -0.550125      1.621401      7.339195
  N      -0.563149      1.953444      5.883638
  C      -0.192610      3.376696      5.652236
  C      -1.296413      4.257081      6.229355
  C       0.309743      1.037742      5.095034
  C      -0.406656      0.753426      3.778459
  N      -1.761293      0.373669      4.120249
  H      -1.364527      5.203869      5.665062
  H      -1.080722      4.534301      7.279775
  H      -0.105918      3.515220      4.566972
  H       0.786934      3.594314      6.108093
  H       0.111635     -0.039618      3.216110
  H      -0.417637      1.659612      3.148384
  H       0.418842      0.101875      5.659454
  H       1.307429      1.484588      4.962576
  H      -1.612008      0.373459      8.710321
  H      -0.984470     -0.508770      7.314035
  H      -0.916396      2.499864      7.881646
  H       0.482134      1.419311      7.667754
  C      -3.585473      3.876160      7.085072
  C      -4.073934      5.315494      6.926614
  O      -4.807655      5.492184      5.697037
  C      -4.240202      6.228466      4.720348
  O      -3.101656      6.665454      4.744930
  C      -5.226713      6.478529      3.603556
  N      -6.500347      6.538517      3.967853
  C      -7.410987      6.795215      2.994384
  N      -7.174690      6.954976      1.706467
  C      -5.871777      6.881530      1.312611
  C      -5.569564      7.023457     -0.064657
  C      -4.262055      6.964482     -0.492295
  C      -3.209799      6.770338      0.436072
  C      -3.470043      6.625946      1.782091
  C      -4.808275      6.666623      2.253319
  C      -2.024267     -1.054537      4.134321
  C      -3.511430     -1.419783      4.030681
  O      -4.206040     -0.521316      3.115730
  C      -4.595031      0.642084      3.628926
  O      -4.608278      0.824599      4.893164
  C      -5.172889      1.615943      2.672034
  N      -6.087200      2.412756      3.218793
  C      -6.682519      3.315765      2.407067
  N      -6.428817      3.524280      1.126998
  C      -5.454461      2.758393      0.564205
  C      -5.107427      2.997739     -0.789189
  C      -4.105169      2.265250     -1.385172
  C      -3.411000      1.273388     -0.651218
  C      -3.729742      1.009298      0.665312
  C      -4.766273      1.735765      1.306197
  C      -3.761097     -0.275422      7.486974
  C      -4.645210      0.416243      8.523968
  O      -5.524438      1.363361      7.872596
  C      -6.615721      0.820300      7.280096
  O      -6.913561     -0.357473      7.376502
  C      -7.393599      1.851602      6.500587
  N      -7.059804      3.117788      6.712511
  C      -7.733001      4.065593      6.014226
  N      -8.699058      3.866407      5.137524
  C      -9.048071      2.571956      4.895058
  C     -10.054480      2.317005      3.930980
  C     -10.410719      1.020385      3.632471
  C      -9.777542     -0.063276      4.287059
  C      -8.799260      0.150386      5.235417
  C      -8.407977      1.474744      5.568098
  H      -3.239143      3.765005      8.136292
  H      -4.452691      3.207886      6.963346
  H      -3.248604      6.038024      6.968814
  H      -4.793279      5.523601      7.730233
  H      -8.451268      6.859220      3.326669
  H      -6.399437      7.177809     -0.754794
  H      -4.028879      7.075023     -1.553310
  H      -2.179167      6.743632      0.078392
  H      -2.660524      6.493281      2.495716
  H      -1.636833     -1.571413      5.037211
  H      -1.496267     -1.486574      3.266427
  H      -4.017798     -1.392709      4.998973
  H      -3.626116     -2.415005      3.588613
  H      -7.455251      3.932194      2.873175
  H      -5.652246      3.777598     -1.321997
  H      -3.836560      2.450724     -2.426304
  H      -2.611825      0.709824     -1.135385
  H      -3.182753      0.246119      1.213866
  H      -4.425463     -0.656665      6.702359
  H      -3.289834     -1.150811      7.968609
  H      -5.242577     -0.325322      9.071931
  H      -4.055221      1.018094      9.227393
  H      -7.423367      5.098948      6.183958
  H     -10.519080      3.173215      3.440577
  H     -11.183080      0.822909      2.887133
  H     -10.070995     -1.084497      4.038162
  H      -8.324544     -0.686860      5.739627
  N      -2.705095      2.871443      3.665403
  N      -2.856329      3.683699      2.788301
  H      -2.163707      3.674842      2.005676
98
Coordinates from ORCA-job orca E -6706.374828239710
  N      -2.533463      3.504144      6.170068
  Mo     -2.731864      1.738832      5.255609
  N      -2.740996      0.591386      6.912850
  C      -1.464787      0.443692      7.615497
  C      -0.551945      1.622265      7.338064
  N      -0.565532      1.955609      5.882739
  C      -0.197351      3.379578      5.652498
  C      -1.302203      4.257555      6.230909
  C       0.308859      1.041994      5.093325
  C      -0.407516      0.756403      3.776998
  N      -1.761245      0.374171      4.119330
  H      -1.371499      5.205401      5.668409
  H      -1.086777      4.533013      7.282037
  H      -0.111497      3.518906      4.567294
  H       0.782196      3.598680      6.107979
  H       0.112116     -0.035713      3.214431
  H      -0.420369      1.662601      3.146944
  H       0.420322      0.106240      5.657373
  H       1.305436      1.491013      4.960490
  H      -1.611333      0.370990      8.708130
  H      -0.983379     -0.508495      7.310199
  H      -0.919509      2.499671      7.881448
  H       0.480654      1.421413      7.666334
  C      -3.589761      3.872434      7.086519
  C      -4.080960      5.311063      6.931157
  O      -4.817167      5.488421      5.703190
  C      -4.252269      6.225287      4.725961
  O      -3.113106      6.660954      4.746983
  C      -5.239236      6.470454      3.608667
  N      -6.512937      6.530093      3.972553
  C      -7.423546      6.784026      2.998297
  N      -7.186809      6.940394      1.709911
  C      -5.883599      6.867326      1.316590
  C      -5.580724      7.006601     -0.060748
  C      -4.272656      6.948649     -0.487388
  C      -3.220913      6.758667      0.442367
  C      -3.481961      6.616727      1.788461
  C      -4.820430      6.655990      2.258330
  C      -2.021353     -1.054458      4.134608
  C      -3.507666     -1.422630      4.027923
  O      -4.202573     -0.524656      3.113014
  C      -4.594753      0.637503      3.626519
  O      -4.608137      0.820172      4.891081
  C      -5.173074      1.610149      2.669219
  N      -6.088246      2.406713      3.214946
  C      -6.683663      3.308423      2.401831
  N      -6.429679      3.515540      1.121199
  C      -5.454268      2.750023      0.559876
  C      -5.106836      2.987803     -0.793783
  C      -4.102859      2.256277     -1.387878
  C      -3.407689      1.266573     -0.651880
  C      -3.727404      1.003435      0.664625
  C      -4.765476      1.729124      1.303654
  C      -3.761048     -0.278124      7.485058
  C      -4.642708      0.410117      8.526737
  O      -5.520041      1.363832      7.882173
  C      -6.611732      0.826798      7.284521
  O      -6.906145     -0.353237      7.364581
  C      -7.385532      1.863710      6.507763
  N      -7.054331      3.128779      6.731706
  C      -7.724553      4.081355      6.036878
  N      -8.684940      3.888035      5.152703
  C      -9.031188      2.595503      4.898079
  C     -10.031794      2.348052      3.926435
  C     -10.386201      1.053708      3.615987
  C      -9.757263     -0.034741      4.266740
  C      -8.784567      0.172021      5.222887
  C      -8.394587      1.493502      5.566589
  H      -3.241812      3.759994      8.137025
  H      -4.456260      3.203156      6.964724
  H      -3.256889      6.034903      6.973199
  H      -4.799178      5.516601      7.736249
  H      -8.463847      6.847634      3.329832
  H      -6.410398      7.158349     -0.751723
  H      -4.039082      7.057826     -1.548014
  H      -2.189707      6.732849      0.085382
  H      -2.672768      6.486685      2.503131
  H      -1.635192     -1.569268      5.039085
  H      -1.490392     -1.486642      3.268593
  H      -4.015784     -1.397714      4.995407
  H      -3.619543     -2.417546      3.584325
  H      -7.456715      3.925107      2.867414
  H      -5.652581      3.765977     -1.328088
  H      -3.833715      2.440817     -2.429059
  H      -2.606939      0.703992     -1.134314
  H      -3.179565      0.241788      1.214733
  H      -4.427376     -0.655865      6.700610
  H      -3.289291     -1.155716      7.962177
  H      -5.241470     -0.332688      9.070965
  H      -4.050561      1.006039      9.232819
  H      -7.417864      5.113532      6.216531
  H     -10.493753      3.208311      3.440431
  H     -11.154398      0.861724      2.864857
  H     -10.049863     -1.053967      4.009260
  H      -8.313333     -0.668910      5.724280
  N      -2.708919      2.870526      3.665043
  N      -2.860394      3.680668      2.785787
  H      -2.168318      3.669258      2.002784
98
Coordinates from ORCA-job orca E -6706.374782779088
  N      -2.539245      3.503558      6.167749
  Mo     -2.738258      1.738677      5.253058
  N      -2.743449      0.588841      6.909124
  C      -1.465021      0.438129      7.607085
  C      -0.554071      1.618348      7.332071
  N      -0.570970      1.956087      5.878022
  C      -0.204219      3.381381      5.651834
  C      -1.308313      4.256517      6.234700
  C       0.303124      1.045697      5.084319
  C      -0.415349      0.763124      3.768862
  N      -1.767907      0.378281      4.112746
  H      -1.376989      5.207635      5.678172
  H      -1.093156      4.525173      7.287800
  H      -0.120708      3.523620      4.567436
  H       0.776093      3.599862      6.106234
  H       0.103874     -0.026803      3.203154
  H      -0.430789      1.670774      3.141465
  H       0.416530      0.108664      5.645174
  H       1.298630      1.496390      4.950835
  H      -1.608501      0.361130      8.699664
  H      -0.984369     -0.512503      7.296423
  H      -0.922416      2.493336      7.878824
  H       0.479452      1.418263      7.657654
  C      -3.602015      3.869521      7.076597
  C      -4.088244      5.309424      6.922423
  O      -4.816288      5.491705      5.690395
  C      -4.240716      6.227280      4.718123
  O      -3.100989      6.660345      4.749694
  C      -5.223638      6.491900      3.601613
  N      -6.497364      6.557600      3.963939
  C      -7.404593      6.827041      2.990227
  N      -7.164637      6.993955      1.703759
  C      -5.861469      6.915000      1.312154
  C      -5.555122      7.062590     -0.064328
  C      -4.247234      6.999514     -0.489323
  C      -3.198200      6.794537      0.440554
  C      -3.462267      6.643086      1.785530
  C      -4.801388      6.687806      2.253919
  C      -2.026343     -1.050759      4.126628
  C      -3.512429     -1.422038      4.025632
  O      -4.211730     -0.525603      3.113376
  C      -4.602074      0.637992      3.626267
  O      -4.616292      0.821984      4.890723
  C      -5.173639      1.611674      2.665928
  N      -6.081588      2.419235      3.207946
  C      -6.663709      3.327088      2.391569
  N      -6.401241      3.531451      1.111840
  C      -5.432763      2.754315      0.554747
  C      -5.074347      2.990034     -0.796419
  C      -4.077398      2.245590     -1.386591
  C      -3.400830      1.244238     -0.649399
  C      -3.730836      0.983751      0.665198
  C      -4.761026      1.723988      1.300968
  C      -3.762921     -0.275819      7.489251
  C      -4.638549      0.420461      8.530266
  O      -5.523966      1.365210      7.884649
  C      -6.621111      0.820091      7.305762
  O      -6.911067     -0.360410      7.399434
  C      -7.390947      1.843420      6.509182
  N      -7.043215      3.109061      6.696868
  C      -7.706849      4.050982      5.982378
  N      -8.677740      3.845790      5.112194
  C      -9.042835      2.550878      4.895995
  C     -10.054590      2.288742      3.938423
  C     -10.426241      0.992209      3.666082
  C      -9.802351     -0.085513      4.338847
  C      -8.819125      0.135090      5.281372
  C      -8.412093      1.460232      5.587859
  H      -3.263737      3.751292      8.129282
  H      -4.469234      3.203732      6.944250
  H      -3.262086      6.030675      6.971417
  H      -4.811924      5.515497      7.723113
  H      -8.444545      6.894735      3.320160
  H      -6.382866      7.226319     -0.755226
  H      -4.012328      7.117182     -1.547348
  H      -2.166881      6.765262      0.084781
  H      -2.655321      6.501646      2.500609
  H      -1.634894     -1.566496      5.028152
  H      -1.499385     -1.480363      3.257573
  H      -4.016708     -1.397782      4.994882
  H      -3.624324     -2.416945      3.582424
  H      -7.431167      3.952776      2.852922
  H      -5.605577      3.777620     -1.331336
  H      -3.799548      2.428713     -2.425363
  H      -2.605802      0.670873     -1.128769
  H      -3.196703      0.213294      1.216478
  H      -4.432729     -0.658401      6.710379
  H      -3.290196     -1.150745      7.970474
  H      -5.230700     -0.318031      9.087088
  H      -4.042295      1.025115      9.225105
  H      -7.384285      5.083538      6.130975
  H     -10.511549      3.140798      3.434206
  H     -11.203413      0.790264      2.928218
  H     -10.107488     -1.107588      4.110073
  H      -8.351405     -0.697932      5.799419
  N      -2.722709      2.876006      3.665383
  N      -2.882038      3.691998      2.793293
  H      -2.202091      3.681251      1.999771
98
Coordinates from ORCA-job orca E -6706.374843963654
  N      -2.534832      3.505407      6.170186
  Mo     -2.733182      1.740407      5.255275
  N      -2.740721      0.591723      6.911906
  C      -1.463843      0.442898      7.613045
  C      -0.551764      1.622182      7.336763
  N      -0.566475      1.957428      5.881975
  C      -0.199049      3.382019      5.653560
  C      -1.303640      4.258558      6.234209
  C       0.307990      1.045308      5.090836
  C      -0.409056      0.761083      3.774686
  N      -1.762384      0.377548      4.117170
  H      -1.372435      5.208089      5.674667
  H      -1.088614      4.530593      7.286315
  H      -0.114541      3.522889      4.568612
  H       0.780880      3.600816      6.108329
  H       0.110624     -0.029969      3.210791
  H      -0.422851      1.668001      3.145856
  H       0.420327      0.108937      5.653511
  H       1.304131      1.495164      4.957894
  H      -1.609407      0.368346      8.705623
  H      -0.982551     -0.508605      7.305633
  H      -0.919754      2.498558      7.881484
  H       0.481143      1.421652      7.664162
  C      -3.594118      3.872240      7.083572
  C      -4.082618      5.311718      6.928917
  O      -4.814189      5.491706      5.698621
  C      -4.242211      6.225480      4.722947
  O      -3.101788      6.657389      4.749046
  C      -5.226473      6.480825      3.605435
  N      -6.500137      6.546628      3.968369
  C      -7.408456      6.808617      2.994011
  N      -7.169764      6.968190      1.706422
  C      -5.866716      6.889090      1.314119
  C      -5.561903      7.030705     -0.062791
  C      -4.254042      6.967008     -0.488567
  C      -3.203971      6.768255      0.441334
  C      -3.466738      6.623554      1.786958
  C      -4.805465      6.668842      2.256123
  C      -2.021437     -1.051331      4.131771
  C      -3.507605     -1.420959      4.027143
  O      -4.204487     -0.523694      3.113240
  C      -4.596222      0.638830      3.626572
  O      -4.609539      0.821836      4.891045
  C      -5.173847      1.611561      2.668959
  N      -6.086638      2.411005      3.214732
  C      -6.679744      3.314206      2.401542
  N      -6.425353      3.520422      1.120835
  C      -5.452310      2.752007      0.559404
  C      -5.103883      2.989317     -0.794062
  C      -4.102617      2.254360     -1.388635
  C      -3.411282      1.261552     -0.653364
  C      -3.731654      0.999229      0.663173
  C      -4.766749      1.728759      1.302942
  C      -3.760703     -0.276081      7.486479
  C      -4.642009      0.415959      8.525605
  O      -5.522260      1.364263      7.877459
  C      -6.613822      0.821642      7.285180
  O      -6.907511     -0.357892      7.375408
  C      -7.389584      1.852260      6.502703
  N      -7.052983      3.118250      6.710968
  C      -7.724134      4.065592      6.010291
  N      -8.690932      3.865965      5.134364
  C      -9.043379      2.571702      4.896167
  C     -10.051126      2.316489      3.933348
  C     -10.411654      1.020359      3.639787
  C      -9.781521     -0.062766      4.298112
  C      -8.802034      0.151270      5.245576
  C      -8.405816      1.475176      5.572612
  H      -3.250759      3.756741      8.135161
  H      -4.461113      3.204622      6.956684
  H      -3.257393      6.034136      6.974583
  H      -4.803649      5.517597      7.731655
  H      -8.448503      6.877570      3.324895
  H      -6.390254      7.189249     -0.753911
  H      -4.019326      7.078332     -1.548471
  H      -2.172810      6.738214      0.085012
  H      -2.658839      6.487141      2.501857
  H      -1.633146     -1.566688      5.035038
  H      -1.491827     -1.482273      3.264517
  H      -4.014264     -1.396508      4.995300
  H      -3.619262     -2.415899      3.583708
  H      -7.451291      3.932799      2.866633
  H      -5.646595      3.770050     -1.327668
  H      -3.832701      2.438520     -2.429564
  H      -2.612854      0.695946     -1.136243
  H      -3.186647      0.235170      1.212631
  H      -4.427032     -0.656719      6.703469
  H      -3.288898     -1.151930      7.966806
  H      -5.238432     -0.325047      9.074911
  H      -4.049907      1.017039      9.227437
  H      -7.412365      5.098654      6.177028
  H     -10.513652      3.172600      3.440903
  H     -11.185334      0.822869      2.896156
  H     -10.078641     -1.083796      4.053545
  H      -8.329668     -0.685650      5.752693
  N      -2.713053      2.874093      3.665960
  N      -2.866602      3.684875      2.787878
  H      -2.177730      3.672879      2.002076
98
Coordinates from ORCA-job orca E -6706.374842148341
  N      -2.527473      3.506597      6.170392
  Mo     -2.730038      1.741563      5.256361
  N      -2.741371      0.593230      6.913339
  C      -1.465248      0.441597      7.615238
  C      -0.550194      1.618659      7.339207
  N      -0.562990      1.953128      5.884218
  C      -0.191789      3.376611      5.654985
  C      -1.294242      4.256374      6.234892
  C       0.309526      1.038213      5.094144
  C      -0.407682      0.754660      3.777843
  N      -1.762256      0.374961      4.119770
  H      -1.360093      5.206028      5.675188
  H      -1.079057      4.527875      7.287084
  H      -0.106842      3.516676      4.569854
  H       0.788621      3.593126      6.109670
  H       0.110301     -0.038230      3.214912
  H      -0.418664      1.661093      3.148186
  H       0.419484      0.101996      5.657663
  H       1.306834      1.485576      4.961155
  H      -1.611521      0.367312      8.707760
  H      -0.985883     -0.510977      7.308042
  H      -0.916488      2.496160      7.883255
  H       0.481976      1.415764      7.667524
  C      -3.585441      3.875488      7.084689
  C      -4.074671      5.314819      6.929157
  O      -4.811263      5.492677      5.701413
  C      -4.245415      6.227229      4.722796
  O      -3.106701      6.663940      4.744546
  C      -5.234081      6.475711      3.607531
  N      -6.507272      6.533796      3.973620
  C      -7.419661      6.789118      3.001355
  N      -7.185261      6.948279      1.712928
  C      -5.882701      6.877052      1.317377
  C      -5.582339      7.018985     -0.060365
  C      -4.275070      6.963310     -0.489350
  C      -3.221392      6.772865      0.438164
  C      -3.479833      6.628138      1.784540
  C      -4.817643      6.664944      2.256940
  C      -2.024957     -1.053207      4.135817
  C      -3.512015     -1.418667      4.029322
  O      -4.205166     -0.520027      3.113878
  C      -4.594704      0.643512      3.626206
  O      -4.607877      0.827208      4.890590
  C      -5.169424      1.617214      2.667912
  N      -6.080255      2.419284      3.213143
  C      -6.670692      3.323831      2.399651
  N      -6.415416      3.529077      1.119042
  C      -5.444217      2.757962      0.558097
  C      -5.095014      2.993835     -0.795412
  C      -4.095208      2.256480     -1.389429
  C      -3.406007      1.262746     -0.653371
  C      -3.727304      1.001664      0.663182
  C      -4.761288      1.733315      1.302178
  C      -3.762897     -0.274618      7.485334
  C      -4.645118      0.416087      8.524693
  O      -5.525016      1.365549      7.877523
  C      -6.616577      0.824006      7.283981
  O      -6.909399     -0.355934      7.370785
  C      -7.391345      1.855598      6.501579
  N      -7.054776      3.121438      6.711539
  C      -7.724511      4.069638      6.010597
  N      -8.689406      3.871116      5.132402
  C      -9.041700      2.577238      4.892369
  C     -10.047493      2.323578      3.927399
  C     -10.408276      1.027665      3.631900
  C      -9.780387     -0.056431      4.290859
  C      -8.802572      0.156200      5.240309
  C      -8.406050      1.479675      5.569090
  H      -3.240623      3.761072      8.135962
  H      -4.452842      3.207911      6.960002
  H      -3.249730      6.037793      6.970867
  H      -4.792874      5.521435      7.734098
  H      -8.459428      6.851725      3.334837
  H      -6.413413      7.171064     -0.749623
  H      -4.043509      7.074455     -1.550259
  H      -2.190935      6.749148      0.079331
  H      -2.669262      6.497815      2.497523
  H      -1.639636     -1.568542      5.040384
  H      -1.495003     -1.486755      3.269931
  H      -4.019919     -1.392137      4.996815
  H      -3.625869     -2.413621      3.586397
  H      -7.440654      3.944698      2.864515
  H      -5.636038      3.775366     -1.329583
  H      -3.824741      2.439495     -2.430488
  H      -2.608546      0.695325     -1.135723
  H      -3.183938      0.236795      1.213130
  H      -4.428467     -0.653591      6.700793
  H      -3.292337     -1.151562      7.964841
  H      -5.242071     -0.325747      9.072442
  H      -4.053466      1.016030      9.228009
  H      -7.413147      5.102514      6.179047
  H     -10.508332      3.180494      3.434645
  H     -11.180504      0.831104      2.886296
  H     -10.077873     -1.077122      4.045082
  H      -8.331951     -0.681392      5.747867
  N      -2.705259      2.872946      3.665952
  N      -2.854104      3.680664      2.784222
  H      -2.160602      3.666394      2.002540
98
Coordinates from ORCA-job orca E -6706.374850637347
  N      -2.533891      3.507200      6.170681
  Mo     -2.733321      1.742192      5.255890
  N      -2.740747      0.592597      6.912096
  C      -1.463629      0.442385      7.612420
  C      -0.551371      1.621704      7.337090
  N      -0.566169      1.957890      5.882539
  C      -0.198216      3.382464      5.654809
  C      -1.302062      4.259072      6.236603
  C       0.307838      1.045863      5.090766
  C      -0.409807      0.761990      3.774823
  N      -1.763170      0.378697      4.117478
  H      -1.369692      5.209595      5.678667
  H      -1.087245      4.529003      7.289271
  H      -0.114568      3.523994      4.569823
  H       0.782142      3.600565      6.108915
  H       0.109561     -0.029089      3.210645
  H      -0.423481      1.669008      3.146117
  H       0.420446      0.109342      5.653191
  H       1.303953      1.495710      4.957415
  H      -1.608654      0.366325      8.704973
  H      -0.982694     -0.508789      7.303398
  H      -0.919196      2.497703      7.882519
  H       0.481534      1.420725      7.664269
  C      -3.593678      3.873868      7.083625
  C      -4.082193      5.313550      6.929698
  O      -4.814750      5.494136      5.699999
  C      -4.243793      6.227965      4.723802
  O      -3.103487      6.660269      4.748960
  C      -5.228069      6.479827      3.605407
  N      -6.502175      6.542323      3.967449
  C      -7.410651      6.800451      2.992240
  N      -7.171684      6.958632      1.704546
  C      -5.868153      6.883011      1.313148
  C      -5.562998      7.023492     -0.063758
  C      -4.254658      6.963319     -0.488645
  C      -3.204513      6.769394      0.442175
  C      -3.467620      6.625797      1.787828
  C      -4.806774      6.667418      2.256111
  C      -2.022181     -1.050154      4.133181
  C      -3.508398     -1.419527      4.027878
  O      -4.204685     -0.522375      3.113447
  C      -4.596486      0.640236      3.626269
  O      -4.609271      0.823753      4.890727
  C      -5.174042      1.612709      2.668513
  N      -6.086489      2.412631      3.214275
  C      -6.679817      3.315495      2.401004
  N      -6.425864      3.521270      1.120173
  C      -5.453158      2.752511      0.558680
  C      -5.105390      2.989209     -0.795056
  C      -4.104429      2.254004     -1.389829
  C      -3.412674      1.261624     -0.654373
  C      -3.732414      0.999871      0.662442
  C      -4.767348      1.729474      1.302346
  C      -3.760408     -0.276756      7.485059
  C      -4.642123      0.412566      8.525688
  O      -5.523320      1.361761      7.880003
  C      -6.614384      0.819759      7.286107
  O      -6.906393     -0.360497      7.372172
  C      -7.389935      1.851588      6.504998
  N      -7.052482      3.117120      6.714813
  C      -7.722154      4.065834      6.014632
  N      -8.687758      3.867965      5.137041
  C      -9.041052      2.574250      4.897109
  C     -10.047508      2.321114      3.932461
  C     -10.409206      1.025610      3.637223
  C      -9.781416     -0.058850      4.295640
  C      -8.802915      0.153128      5.244528
  C      -8.405549      1.476322      5.573365
  H      -3.251128      3.757259      8.135364
  H      -4.460891      3.206677      6.955690
  H      -3.257051      6.036072      6.975252
  H      -4.802818      5.518996      7.732847
  H      -8.451201      6.866539      3.322404
  H      -6.391438      7.178282     -0.755606
  H      -4.019574      7.073617     -1.548673
  H      -2.173065      6.742148      0.086531
  H      -2.659731      6.492889      2.503367
  H      -1.634609     -1.564889      5.037110
  H      -1.492001     -1.481920      3.266628
  H      -4.015494     -1.394739      4.995822
  H      -3.620056     -2.414560      3.584616
  H      -7.450953      3.934530      2.866200
  H      -5.648438      3.769676     -1.328724
  H      -3.835060      2.437663     -2.431023
  H      -2.614417      0.695828     -1.137341
  H      -3.187053      0.236066      1.211880
  H      -4.426472     -0.656332      6.701272
  H      -3.288190     -1.153254      7.963742
  H      -5.237885     -0.330018      9.073690
  H      -4.050242      1.012662      9.228650
  H      -7.409602      5.098419      6.182592
  H     -10.508177      3.178301      3.440078
  H     -11.181942      0.829614      2.892117
  H     -10.079491     -1.079369      4.049832
  H      -8.332224     -0.684793      5.751492
  N      -2.712743      2.874756      3.666318
  N      -2.864147      3.682095      2.784719
  H      -2.170996      3.669692      2.002693
98
Coordinates from ORCA-job orca E -6706.374852265544
  N      -2.532275      3.507552      6.171832
  Mo     -2.732452      1.742899      5.256572
  N      -2.740270      0.593084      6.912661
  C      -1.463288      0.442042      7.612960
  C      -0.550641      1.621145      7.337969
  N      -0.565204      1.957694      5.883488
  C      -0.196899      3.382274      5.656202
  C      -1.300186      4.258794      6.238941
  C       0.308594      1.045705      5.091418
  C      -0.409132      0.762352      3.775430
  N      -1.762570      0.379184      4.117851
  H      -1.367274      5.210151      5.682250
  H      -1.085272      4.527123      7.292096
  H      -0.113862      3.524195      4.571248
  H       0.783786      3.599993      6.109860
  H       0.110114     -0.028643      3.210995
  H      -0.422600      1.669561      3.147018
  H       0.421131      0.109033      5.653547
  H       1.304727      1.495460      4.958111
  H      -1.608353      0.365632      8.705473
  H      -0.982706     -0.509190      7.303554
  H      -0.918367      2.497110      7.883537
  H       0.482157      1.419884      7.665246
  C      -3.591905      3.873233      7.085249
  C      -4.080649      5.312852      6.932367
  O      -4.814790      5.493411      5.703674
  C      -4.243077      6.223491      4.725190
  O      -3.101606      6.652850      4.748166
  C      -5.229388      6.479196      3.609503
  N      -6.502258      6.546954      3.974967
  C      -7.412237      6.809230      3.002281
  N      -7.175947      6.967007      1.713988
  C      -5.873795      6.885879      1.319102
  C      -5.571651      7.025676     -0.058554
  C      -4.264675      6.960156     -0.486899
  C      -3.212973      6.761422      0.441136
  C      -3.473153      6.618288      1.787401
  C      -4.810864      6.665401      2.259179
  C      -2.021397     -1.049699      4.134049
  C      -3.507516     -1.419322      4.027992
  O      -4.203627     -0.522097      3.113582
  C      -4.595670      0.640495      3.626245
  O      -4.608145      0.824506      4.890688
  C      -5.172708      1.612688      2.668128
  N      -6.083782      2.414355      3.213731
  C      -6.675895      3.317579      2.399992
  N      -6.422038      3.521990      1.118784
  C      -5.450669      2.751360      0.557524
  C      -5.102823      2.986583     -0.796470
  C      -4.103018      2.249549     -1.390892
  C      -3.412667      1.256600     -0.654890
  C      -3.732610      0.996179      0.662144
  C      -4.766212      1.727866      1.301778
  C      -3.760959     -0.274924      7.485743
  C      -4.643064      0.416631      8.524546
  O      -5.522640      1.365827      7.876586
  C      -6.612348      0.823392      7.280622
  O      -6.904473     -0.356814      7.367265
  C      -7.388004      1.854701      6.498744
  N      -7.051947      3.120687      6.708549
  C      -7.722871      4.068573      6.008411
  N      -8.688752      3.869582      5.131289
  C      -9.040692      2.575591      4.891610
  C     -10.047615      2.321478      3.927790
  C     -10.408263      1.025616      3.632832
  C      -9.779107     -0.058143      4.291069
  C      -8.800270      0.154916      5.239505
  C      -8.403711      1.478419      5.567641
  H      -3.249102      3.755768      8.136777
  H      -4.459195      3.206070      6.957027
  H      -3.255400      6.035306      6.976843
  H      -4.800208      5.518258      7.736452
  H      -8.451495      6.879926      3.335231
  H      -6.401247      7.184334     -0.748144
  H      -4.031911      7.070049     -1.547406
  H      -2.182510      6.729980      0.082747
  H      -2.663964      6.481608      2.500796
  H      -1.634236     -1.564118      5.038330
  H      -1.490694     -1.481697      3.267962
  H      -4.015001     -1.394919      4.995711
  H      -3.618833     -2.414235      3.584390
  H      -7.445856      3.938258      2.865073
  H      -5.644804      3.767506     -1.330534
  H      -3.833521      2.432159     -2.432213
  H      -2.615331      0.689310     -1.137546
  H      -3.188299      0.231873      1.212006
  H      -4.426755     -0.654733      6.701926
  H      -3.289915     -1.151322      7.965809
  H      -5.240119     -0.324590      9.072815
  H      -4.051431      1.017018      9.227288
  H      -7.412095      5.101603      6.176848
  H     -10.509507      3.178254      3.435855
  H     -11.181379      0.828836      2.888388
  H     -10.076500     -1.078889      4.045756
  H      -8.328483     -0.682463      5.746378
  N      -2.711808      2.875515      3.667391
  N      -2.861868      3.681073      2.783916
  H      -2.169200      3.665171      2.001571
98
Coordinates from ORCA-job orca E -6706.374858313635
  N      -2.533027      3.509039      6.172502
  Mo     -2.733291      1.744590      5.256807
  N      -2.740112      0.593594      6.912299
  C      -1.462798      0.441673      7.611695
  C      -0.550630      1.621323      7.337749
  N      -0.565706      1.959204      5.883623
  C      -0.197742      3.384092      5.657495
  C      -1.300826      4.259831      6.241634
  C       0.308130      1.048104      5.090564
  C      -0.410011      0.765402      3.774672
  N      -1.763231      0.381418      4.117084
  H      -1.367415      5.212213      5.686700
  H      -1.086258      4.526021      7.295382
  H      -0.115595      3.527093      4.572604
  H       0.783224      3.601535      6.110631
  H       0.109372     -0.024955      3.209470
  H      -0.423969      1.673051      3.146932
  H       0.421331      0.111092      5.652001
  H       1.304020      1.498381      4.957130
  H      -1.607278      0.363679      8.704166
  H      -0.982166     -0.509001      7.300658
  H      -0.918614      2.496577      7.884265
  H       0.482323      1.420146      7.664595
  C      -3.593809      3.873849      7.084938
  C      -4.082237      5.313721      6.932836
  O      -4.815418      5.495453      5.703748
  C      -4.242164      6.224813      4.725576
  O      -3.100134      6.652640      4.749282
  C      -5.226906      6.479798      3.608271
  N      -6.500407      6.546507      3.971748
  C      -7.409182      6.807337      2.997588
  N      -7.171154      6.964765      1.709590
  C      -5.868339      6.884912      1.316729
  C      -5.564359      7.024427     -0.060554
  C      -4.256735      6.960072     -0.486979
  C      -3.206150      6.762764      0.442622
  C      -3.468090      6.619912      1.788585
  C      -4.806544      6.665889      2.258484
  C      -2.020953     -1.047669      4.133717
  C      -3.506850     -1.418289      4.027646
  O      -4.203567     -0.521558      3.113213
  C      -4.596182      0.640889      3.625642
  O      -4.608161      0.825226      4.890041
  C      -5.174013      1.612668      2.667678
  N      -6.085032      2.414184      3.213745
  C      -6.678030      3.317041      2.400338
  N      -6.425126      3.521406      1.118967
  C      -5.453824      2.751120      0.557149
  C      -5.107070      2.986404     -0.797101
  C      -4.107515      2.249642     -1.392301
  C      -3.416273      1.256981     -0.656782
  C      -3.735040      0.996581      0.660553
  C      -4.768437      1.727901      1.301001
  C      -3.760427     -0.275159      7.484936
  C      -4.642499      0.415359      8.524395
  O      -5.523029      1.364373      7.877478
  C      -6.612550      0.821553      7.281576
  O      -6.903629     -0.358978      7.367247
  C      -7.388773      1.852750      6.500256
  N      -7.052315      3.118660      6.709599
  C      -7.723467      4.066614      6.009866
  N      -8.689833      3.867708      5.133230
  C      -9.042193      2.573690      4.893958
  C     -10.049640      2.319511      3.930595
  C     -10.410758      1.023683      3.636189
  C      -9.781515     -0.060054      4.294385
  C      -8.802144      0.152971      5.242182
  C      -8.405115      1.476501      5.569899
  H      -3.252638      3.754906      8.136827
  H      -4.461147      3.207080      6.954720
  H      -3.256927      6.036049      6.978546
  H      -4.802505      5.518609      7.736435
  H      -8.449037      6.877021      3.328976
  H      -6.393137      7.181880     -0.751398
  H      -4.022536      7.069639     -1.547237
  H      -2.175184      6.732243      0.085737
  H      -2.659785      6.484368      2.503153
  H      -1.633429     -1.561751      5.038052
  H      -1.489950     -1.479476      3.267720
  H      -4.014346     -1.394204      4.995354
  H      -3.617553     -2.413281      3.584079
  H      -7.448189      3.937247      2.865663
  H      -5.649734      3.767152     -1.330743
  H      -3.838905      2.432263     -2.433849
  H      -2.619174      0.689844     -1.140053
  H      -3.190042      0.232454      1.209903
  H      -4.426228     -0.654760      6.701018
  H      -3.289041     -1.151668      7.964437
  H      -5.238818     -0.326519      9.072670
  H      -4.050870      1.015844      9.227139
  H      -7.412185      5.099594      6.177889
  H     -10.511511      3.176260      3.438622
  H     -11.184222      0.826877      2.892119
  H     -10.079236     -1.080827      4.049441
  H      -8.330175     -0.684378      5.748922
  N      -2.713260      2.876873      3.667867
  N      -2.861757      3.679285      2.781354
  H      -2.166596      3.661857      2.001258
98
Coordinates from ORCA-job orca E -6706.374868856547
  N      -2.531916      3.513637      6.176019
  Mo     -2.734678      1.750129      5.258977
  N      -2.739331      0.595312      6.912500
  C      -1.461030      0.439711      7.609029
  C      -0.549392      1.620335      7.338214
  N      -0.565713      1.962096      5.885095
  C      -0.197310      3.387459      5.662287
  C      -1.298778      4.261972      6.250762
  C       0.307172      1.052752      5.088913
  C      -0.412811      0.772460      3.773500
  N      -1.765670      0.387408      4.116282
  H      -1.363254      5.217415      5.700983
  H      -1.084633      4.521633      7.306224
  H      -0.117773      3.533505      4.577561
  H       0.784772      3.603144      6.113760
  H       0.106119     -0.016579      3.205985
  H      -0.427531      1.681352      3.147631
  H       0.421748      0.114710      5.648368
  H       1.302684      1.503684      4.954717
  H      -1.603648      0.356837      8.701373
  H      -0.980968     -0.509548      7.292809
  H      -0.917575      2.493761      7.887516
  H       0.483888      1.418699      7.663810
  C      -3.595294      3.876853      7.085972
  C      -4.083378      5.317150      6.935582
  O      -4.817207      5.500630      5.707121
  C      -4.241477      6.224747      4.726513
  O      -3.097488      6.647411      4.748377
  C      -5.225725      6.479602      3.608599
  N      -6.499342      6.547512      3.971540
  C      -7.407703      6.807777      2.996943
  N      -7.169255      6.963749      1.708843
  C      -5.866393      6.882755      1.316453
  C      -5.562114      7.020767     -0.060903
  C      -4.254466      6.955152     -0.487053
  C      -3.204196      6.758059      0.442926
  C      -3.466391      6.616658      1.788998
  C      -4.804887      6.663983      2.258704
  C      -2.021095     -1.042058      4.135399
  C      -3.506561     -1.414528      4.029413
  O      -4.204185     -0.519287      3.114285
  C      -4.597810      0.643201      3.625344
  O      -4.607975      0.829481      4.889523
  C      -5.175923      1.613670      2.666616
  N      -6.086010      2.416665      3.212405
  C      -6.679139      3.318676      2.398400
  N      -6.426818      3.521657      1.116691
  C      -5.456445      2.750148      0.555049
  C      -5.110641      2.983843     -0.799696
  C      -4.112329      2.245599     -1.395169
  C      -3.421406      1.253039     -0.659290
  C      -3.739159      0.994246      0.658651
  C      -4.771314      1.727045      1.299427
  C      -3.759003     -0.275994      7.482667
  C      -4.642199      0.411144      8.523405
  O      -5.524219      1.360512      7.878906
  C      -6.612656      0.817658      7.280923
  O      -6.902336     -0.363458      7.363706
  C      -7.389010      1.849669      6.500899
  N      -7.050800      3.115090      6.710349
  C      -7.720517      4.064202      6.010945
  N      -8.686828      3.866884      5.133922
  C      -9.040875      2.573341      4.894232
  C     -10.048160      2.320900      3.930217
  C     -10.411163      1.025696      3.635337
  C      -9.783799     -0.059144      4.293561
  C      -8.804456      0.152097      5.241725
  C      -8.405608      1.474974      5.570143
  H      -3.257759      3.754521      8.138616
  H      -4.462857      3.211037      6.951447
  H      -3.257858      6.039227      6.981907
  H      -4.803541      5.521331      7.739389
  H      -8.447691      6.878209      3.327998
  H      -6.390734      7.178022     -0.751982
  H      -4.019930      7.063435     -1.547396
  H      -2.173226      6.726443      0.086265
  H      -2.658295      6.481108      2.503758
  H      -1.633107     -1.554572      5.040415
  H      -1.489341     -1.474485      3.270114
  H      -4.014206     -1.390286      4.997053
  H      -3.616205     -2.409960      3.586534
  H      -7.448819      3.939745      2.863322
  H      -5.653155      3.764570     -1.333530
  H      -3.844530      2.426944     -2.437179
  H      -2.625344      0.684549     -1.142731
  H      -3.194360      0.230032      1.208001
  H      -4.424057     -0.654779      6.697684
  H      -3.287041     -1.153040      7.960539
  H      -5.237414     -0.332679      9.070376
  H      -4.051236      1.011063      9.227298
  H      -7.407493      5.096631      6.178895
  H     -10.508393      3.178542      3.438216
  H     -11.184542      0.830177      2.890776
  H     -10.082923     -1.079481      4.048205
  H      -8.333842     -0.686066      5.748348
  N      -2.715522      2.881079      3.670684
  N      -2.857257      3.673021      2.773822
  H      -2.153913      3.649154      2.001283
98
Coordinates from ORCA-job orca E -6706.374871426746
  N      -2.531285      3.514242      6.177602
  Mo     -2.735082      1.751419      5.259588
  N      -2.739329      0.595391      6.912495
  C      -1.460869      0.438256      7.608265
  C      -0.549079      1.618945      7.338414
  N      -0.565705      1.962116      5.885663
  C      -0.196908      3.387627      5.664238
  C      -1.297856      4.261805      6.254046
  C       0.306804      1.053345      5.088426
  C      -0.413581      0.774492      3.772976
  N      -1.766404      0.389062      4.115520
  H      -1.361687      5.218176      5.705801
  H      -1.083825      4.519474      7.310044
  H      -0.117840      3.534896      4.579653
  H       0.785433      3.602504      6.115534
  H       0.105161     -0.013870      3.204349
  H      -0.428373      1.684107      3.148209
  H       0.421435      0.114770      5.646961
  H       1.302350      1.504235      4.954381
  H      -1.603101      0.354161      8.700551
  H      -0.981281     -0.510804      7.290729
  H      -0.917152      2.491855      7.888601
  H       0.484245      1.416962      7.663613
  C      -3.595582      3.877007      7.086595
  C      -4.083746      5.317318      6.936377
  O      -4.817310      5.501090      5.707859
  C      -4.240457      6.223519      4.726592
  O      -3.095809      6.644401      4.748153
  C      -5.224300      6.478533      3.608347
  N      -6.498056      6.546306      3.970899
  C      -7.406183      6.806365      2.996078
  N      -7.167407      6.962629      1.708058
  C      -5.864454      6.881839      1.316040
  C      -5.559895      7.020147     -0.061239
  C      -4.252208      6.954517     -0.487155
  C      -3.202147      6.757039      0.442966
  C      -3.464577      6.615379      1.788965
  C      -4.803148      6.662862      2.258523
  C      -2.021047     -1.040585      4.134591
  C      -3.506262     -1.413856      4.028377
  O      -4.204386     -0.518662      3.113514
  C      -4.598352      0.643633      3.624667
  O      -4.607853      0.830168      4.888750
  C      -5.176750      1.614131      2.666235
  N      -6.086379      2.417294      3.212671
  C      -6.679629      3.319666      2.399217
  N      -6.427744      3.522987      1.117458
  C      -5.457838      2.751356      0.555135
  C      -5.112600      2.985407     -0.799675
  C      -4.114902      2.246944     -1.395924
  C      -3.424025      1.253841     -0.660776
  C      -3.741141      0.994766      0.657267
  C      -4.772673      1.727766      1.298868
  C      -3.759770     -0.274571      7.483265
  C      -4.642065      0.414424      8.523470
  O      -5.523514      1.363554      7.877897
  C      -6.612064      0.820184      7.280693
  O      -6.901322     -0.360957      7.364212
  C      -7.388989      1.851211      6.499958
  N      -7.052665      3.117156      6.709241
  C      -7.724307      4.065135      6.010110
  N      -8.690979      3.866246      5.133786
  C      -9.043060      2.572141      4.894337
  C     -10.050727      2.317893      3.931155
  C     -10.411653      1.022055      3.636554
  C      -9.781874     -0.061676      4.294272
  C      -8.802280      0.151311      5.241748
  C      -8.405488      1.474905      5.569827
  H      -3.259224      3.753997      8.139533
  H      -4.463051      3.211177      6.950881
  H      -3.258259      6.039424      6.983091
  H      -4.804168      5.521279      7.740016
  H      -8.446264      6.876448      3.326834
  H      -6.388378      7.177570     -0.752431
  H      -4.017431      7.062971     -1.547457
  H      -2.171125      6.725281      0.086494
  H      -2.656633      6.479595      2.503795
  H      -1.632693     -1.553288      5.039377
  H      -1.489113     -1.472476      3.269166
  H      -4.014024     -1.390255      4.995907
  H      -3.615363     -2.409187      3.585166
  H      -7.449128      3.940651      2.864552
  H      -5.655063      3.766543     -1.332962
  H      -3.847571      2.428541     -2.437989
  H      -2.628507      0.685131     -1.144852
  H      -3.196402      0.230106      1.206028
  H      -4.425444     -0.653199      6.698752
  H      -3.288734     -1.151774      7.961765
  H      -5.237732     -0.328334      9.071389
  H      -4.050478      1.014694      9.226529
  H      -7.412882      5.098114      6.177991
  H     -10.512861      3.174664      3.439474
  H     -11.185257      0.825188      2.892625
  H     -10.079313     -1.082511      4.049083
  H      -8.329813     -0.685991      5.748083
  N      -2.715663      2.881965      3.671654
  N      -2.853803      3.669631      2.770546
  H      -2.148045      3.641214      2.000381
98
Coordinates from ORCA-job orca E -6706.374872640863
  N      -2.530383      3.514501      6.179179
  Mo     -2.735448      1.752307      5.260447
  N      -2.739235      0.595303      6.912778
  C      -1.460541      0.437365      7.607938
  C      -0.548663      1.618071      7.338445
  N      -0.565671      1.961946      5.885860
  C      -0.196319      3.387402      5.665059
  C      -1.296822      4.261758      6.255444
  C       0.306225      1.053249      5.087866
  C      -0.414751      0.775316      3.772550
  N      -1.767548      0.390009      4.115401
  H      -1.360658      5.218236      5.707367
  H      -1.082382      4.519120      7.311447
  H      -0.117227      3.535220      4.580549
  H       0.786137      3.601625      6.116432
  H       0.103559     -0.012804      3.203184
  H      -0.429565      1.685329      3.148375
  H       0.420767      0.114369      5.645906
  H       1.301894      1.503830      4.953693
  H      -1.602382      0.352622      8.700224
  H      -0.981270     -0.511591      7.289623
  H      -0.916573      2.490745      7.889139
  H       0.484751      1.415880      7.663238
  C      -3.594752      3.877765      7.087788
  C      -4.083296      5.317842      6.936813
  O      -4.817481      5.500767      5.708574
  C      -4.240719      6.221790      4.726230
  O      -3.095717      6.641751      4.746644
  C      -5.225394      6.477459      3.608904
  N      -6.498763      6.546358      3.972632
  C      -7.407528      6.807560      2.998726
  N      -7.169744      6.964222      1.710553
  C      -5.867244      6.882118      1.317298
  C      -5.563795      7.020715     -0.060194
  C      -4.256579      6.953594     -0.487384
  C      -3.205933      6.754314      0.441681
  C      -3.467281      6.612459      1.787865
  C      -4.805322      6.661515      2.258710
  C      -2.021930     -1.039696      4.134871
  C      -3.507097     -1.413162      4.029540
  O      -4.205593     -0.518389      3.114485
  C      -4.599363      0.644094      3.625287
  O      -4.608490      0.831215      4.889242
  C      -5.177091      1.614546      2.666390
  N      -6.086537      2.418251      3.212309
  C      -6.678937      3.320798      2.398407
  N      -6.426246      3.523827      1.116742
  C      -5.456500      2.751569      0.554989
  C      -5.110429      2.985245     -0.799666
  C      -4.112907      2.246056     -1.395315
  C      -3.423073      1.252562     -0.659727
  C      -3.741017      0.993850      0.658193
  C      -4.772343      1.727653      1.299189
  C      -3.759729     -0.274752      7.483350
  C      -4.642180      0.414395      8.523370
  O      -5.523063      1.363739      7.877337
  C      -6.612130      0.820849      7.280583
  O      -6.902562     -0.359935      7.365119
  C      -7.388393      1.852032      6.499367
  N      -7.052409      3.117983      6.709249
  C      -7.723820      4.066017      6.009879
  N      -8.690181      3.867203      5.133238
  C      -9.041777      2.573105      4.893085
  C     -10.048931      2.318954      3.929399
  C     -10.409049      1.023096      3.633825
  C      -9.779007     -0.060735      4.291133
  C      -8.800025      0.152206      5.239295
  C      -8.404117      1.475791      5.568336
  H      -3.258333      3.755490      8.140795
  H      -4.462059      3.211584      6.952581
  H      -3.257885      6.040084      6.982750
  H      -4.803360      5.522132      7.740672
  H      -8.447244      6.878514      3.330409
  H      -6.392739      7.179498     -0.750526
  H      -4.022664      7.062292     -1.547830
  H      -2.175270      6.721238      0.084232
  H      -2.658845      6.475291      2.501882
  H      -1.632941     -1.552291      5.039439
  H      -1.490465     -1.471578      3.269131
  H      -4.014528     -1.389076      4.997243
  H      -3.616330     -2.408715      3.586843
  H      -7.448425      3.942167      2.863283
  H      -5.652101      3.766642     -1.333364
  H      -3.844943      2.427358     -2.437277
  H      -2.627718      0.683260     -1.143359
  H      -3.197107      0.228887      1.207375
  H      -4.425368     -0.653337      6.698762
  H      -3.288828     -1.152028      7.961843
  H      -5.238269     -0.328187      9.071029
  H      -4.050624      1.014422      9.226629
  H      -7.412713      5.098995      6.178234
  H     -10.511300      3.175750      3.437964
  H     -11.182271      0.826311      2.889457
  H     -10.075768     -1.081564      4.045118
  H      -8.327524     -0.685181      5.745473
  N      -2.715720      2.882707      3.672704
  N      -2.851236      3.668141      2.769238
  H      -2.144819      3.635939      1.999824
98
Coordinates from ORCA-job orca E -6706.374874679492
  N      -2.529462      3.513986      6.181334
  Mo     -2.736306      1.752785      5.261577
  N      -2.739454      0.594723      6.913237
  C      -1.460352      0.435952      7.607513
  C      -0.548331      1.616590      7.338084
  N      -0.565997      1.961154      5.885644
  C      -0.195817      3.386447      5.665462
  C      -1.295873      4.261235      6.256154
  C       0.304970      1.052381      5.086741
  C      -0.416887      0.775606      3.771684
  N      -1.769599      0.390579      4.115237
  H      -1.360233      5.217328      5.707460
  H      -1.080580      4.519280      7.311827
  H      -0.116170      3.534767      4.581079
  H       0.786614      3.599840      6.117322
  H       0.100712     -0.012269      3.201334
  H      -0.431773      1.686101      3.148248
  H       0.419266      0.113140      5.644213
  H       1.300859      1.502399      4.952363
  H      -1.601606      0.350806      8.699844
  H      -0.981580     -0.513024      7.288533
  H      -0.915925      2.489098      7.889286
  H       0.485244      1.414157      7.662221
  C      -3.593594      3.878700      7.089484
  C      -4.082586      5.318396      6.936825
  O      -4.817440      5.499826      5.708809
  C      -4.241421      6.220074      4.725472
  O      -3.096227      6.639563      4.744426
  C      -5.227376      6.476485      3.609511
  N      -6.500139      6.547133      3.975060
  C      -7.409889      6.809945      3.002498
  N      -7.173643      6.966936      1.714062
  C      -5.871835      6.882834      1.318916
  C      -5.570057      7.021574     -0.058939
  C      -4.263563      6.952156     -0.488029
  C      -3.212021      6.750345      0.439468
  C      -3.471736      6.608481      1.785968
  C      -4.808978      6.660000      2.258742
  C      -2.023849     -1.039183      4.134764
  C      -3.508961     -1.412826      4.030944
  O      -4.208070     -0.518434      3.115864
  C      -4.601248      0.644342      3.626417
  O      -4.610136      0.832011      4.890193
  C      -5.177713      1.615093      2.666934
  N      -6.087252      2.419197      3.211987
  C      -6.678425      3.322026      2.397434
  N      -6.424181      3.525020      1.116060
  C      -5.454294      2.752222      0.555279
  C      -5.106669      2.985695     -0.799000
  C      -4.109005      2.245836     -1.393594
  C      -3.420615      1.251827     -0.657356
  C      -3.740123      0.993285      0.660221
  C      -4.771575      1.727849      1.300140
  C      -3.760021     -0.274999      7.484242
  C      -4.642146      0.414889      8.524143
  O      -5.522191      1.364431      7.877271
  C      -6.612385      0.822231      7.281864
  O      -6.904771     -0.357915      7.368492
  C      -7.387558      1.853498      6.499647
  N      -7.052354      3.119482      6.710554
  C      -7.723218      4.067489      6.010449
  N      -8.688452      3.868609      5.132697
  C      -9.039001      2.574473      4.891293
  C     -10.044607      2.320296      3.926075
  C     -10.403068      1.024371      3.628806
  C      -9.772833     -0.059503      4.285847
  C      -8.795461      0.153529      5.235731
  C      -8.401483      1.477172      5.566636
  H      -3.256566      3.758339      8.142526
  H      -4.460658      3.211891      6.955852
  H      -3.257259      6.040806      6.981635
  H      -4.802237      5.523401      7.740866
  H      -8.449071      6.882114      3.335550
  H      -6.399688      7.182261     -0.748014
  H      -4.031003      7.061054     -1.548701
  H      -2.181924      6.715212      0.080538
  H      -2.662576      6.469339      2.498782
  H      -1.633734     -1.552007      5.038707
  H      -1.493372     -1.470743      3.268245
  H      -4.015767     -1.388153      4.998947
  H      -3.618503     -2.408616      3.588849
  H      -7.447873      3.943889      2.861702
  H      -5.647215      3.767427     -1.333327
  H      -3.839838      2.426987     -2.435271
  H      -2.625161      0.682018     -1.140208
  H      -3.197384      0.227950      1.210081
  H      -4.426085     -0.653586      6.699977
  H      -3.289289     -1.152354      7.962744
  H      -5.238862     -0.327133      9.071805
  H      -4.050282      1.014660      9.227312
  H      -7.412575      5.100481      6.179360
  H     -10.507128      3.177031      3.434650
  H     -11.175114      0.827620      2.883214
  H     -10.068130     -1.080362      4.038275
  H      -8.323080     -0.683947      5.741892
  N      -2.715881      2.883089      3.673975
  N      -2.847727      3.666324      2.768019
  H      -2.139543      3.630642      2.000355
98
Coordinates from ORCA-job orca E -6706.374875119031
  N      -2.529810      3.513837      6.181907
  Mo     -2.736877      1.752985      5.261789
  N      -2.739602      0.594659      6.913248
  C      -1.460306      0.435929      7.607191
  C      -0.548444      1.616668      7.337662
  N      -0.566438      1.961352      5.885235
  C      -0.196266      3.386644      5.665128
  C      -1.296368      4.261434      6.255837
  C       0.304366      1.052628      5.086107
  C      -0.417795      0.775941      3.771194
  N      -1.770398      0.390851      4.115111
  H      -1.361232      5.217250      5.706720
  H      -1.080721      4.520059      7.311291
  H      -0.116423      3.535028      4.580769
  H       0.786106      3.599989      6.117138
  H       0.099668     -0.011867      3.200636
  H      -0.432849      1.686495      3.147851
  H       0.418752      0.113343      5.643489
  H       1.300246      1.502625      4.951588
  H      -1.601301      0.350711      8.699551
  H      -0.981556     -0.512997      7.288041
  H      -0.916030      2.489111      7.888972
  H       0.485227      1.414321      7.661544
  C      -3.593732      3.878946      7.090132
  C      -4.082810      5.318546      6.936933
  O      -4.817373      5.499637      5.708712
  C      -4.241437      6.220340      4.725663
  O      -3.096343      6.640091      4.744829
  C      -5.227252      6.476698      3.609580
  N      -6.500051      6.547299      3.975017
  C      -7.409707      6.809953      3.002321
  N      -7.173331      6.966898      1.713907
  C      -5.871478      6.882895      1.318898
  C      -5.569537      7.021624     -0.058917
  C      -4.262998      6.952185     -0.487849
  C      -3.211557      6.750335      0.439753
  C      -3.471427      6.608514      1.786226
  C      -4.808723      6.660110      2.258848
  C      -2.024482     -1.038952      4.134631
  C      -3.509569     -1.412758      4.031354
  O      -4.208934     -0.518566      3.116228
  C      -4.601898      0.644321      3.626685
  O      -4.610910      0.832066      4.890415
  C      -5.178069      1.615197      2.667112
  N      -6.087614      2.419378      3.212029
  C      -6.678692      3.322191      2.397376
  N      -6.424488      3.524940      1.115966
  C      -5.454563      2.752085      0.555319
  C      -5.106931      2.985354     -0.798993
  C      -4.109189      2.245475     -1.393435
  C      -3.420711      1.251654     -0.657023
  C      -3.740240      0.993293      0.660586
  C      -4.771800      1.727857      1.300347
  C      -3.759913     -0.275261      7.484376
  C      -4.641992      0.414510      8.524402
  O      -5.521974      1.364090      7.877520
  C      -6.612517      0.822080      7.282582
  O      -6.905376     -0.357909      7.369653
  C      -7.387366      1.853409      6.500169
  N      -7.052373      3.119365      6.711441
  C      -7.723095      4.067422      6.011235
  N      -8.688031      3.868569      5.133154
  C      -9.038300      2.574408      4.891333
  C     -10.043472      2.320200      3.925653
  C     -10.401483      1.024253      3.627948
  C      -9.771267     -0.059625      4.284995
  C      -8.794362      0.153437      5.235345
  C      -8.400852      1.477100      5.566697
  H      -3.256347      3.759275      8.143154
  H      -4.460706      3.211918      6.957117
  H      -3.257526      6.041007      6.981745
  H      -4.802631      5.523709      7.740798
  H      -8.448938      6.882051      3.335231
  H      -6.399087      7.182268     -0.748097
  H      -4.030358      7.061053     -1.548507
  H      -2.181427      6.715146      0.080930
  H      -2.662352      6.469375      2.499132
  H      -1.633913     -1.551832      5.038352
  H      -1.494333     -1.470352      3.267830
  H      -4.016160     -1.387891      4.999470
  H      -3.619145     -2.408649      3.589498
  H      -7.448212      3.944020      2.861577
  H      -5.647505      3.766963     -1.333478
  H      -3.840016      2.426470     -2.435141
  H      -2.625188      0.681849     -1.139770
  H      -3.197470      0.228100      1.210607
  H      -4.426094     -0.653876      6.700209
  H      -3.288971     -1.152594      7.962705
  H      -5.238739     -0.327551      9.071976
  H      -4.050114      1.014227      9.227609
  H      -7.412663      5.100424      6.180510
  H     -10.506012      3.176901      3.434195
  H     -11.173172      0.827506      2.881981
  H     -10.066215     -1.080508      4.037059
  H      -8.322055     -0.684069      5.741533
  N      -2.716227      2.883323      3.674256
  N      -2.846920      3.666043      2.767702
  H      -2.139205      3.628199      1.999705
