99
Coordinates from ORCA-job orca E -6652.825824353243
  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
  H      -2.203523      1.575180      2.434874
  H      -1.756453      2.992890      3.097673
  H      -3.328705      2.691932      2.803529
99
Coordinates from ORCA-job orca E -6652.893956340369
  N      -2.405441      3.257774      5.963109
  Mo     -2.646274      1.430610      5.139140
  N      -3.157160      0.358367      6.718232
  C      -2.189129      0.040349      7.755565
  C      -1.206104      1.190146      7.962001
  N      -0.564741      1.588888      6.702698
  C      -0.104451      2.974400      6.732312
  C      -1.081439      3.825560      5.886789
  C       0.457167      0.654265      6.238893
  C       0.148093      0.407554      4.751467
  N      -1.253067      0.088543      4.714597
  H      -0.737577      3.817571      4.844628
  H      -1.056620      4.864723      6.238036
  H       0.899185      3.063223      6.309782
  H      -0.078107      3.351882      7.760791
  H       0.777641     -0.391353      4.340092
  H       0.340162      1.331366      4.186180
  H       0.366041     -0.295211      6.774412
  H       1.470348      1.044311      6.382818
  H      -2.683124     -0.156153      8.717757
  H      -1.649353     -0.882614      7.473968
  H      -1.778313      2.045096      8.335257
  H      -0.451665      0.908288      8.711879
  C      -3.325897      4.074771      6.718376
  C      -3.652163      5.436871      6.035825
  O      -4.790371      5.352884      5.170906
  C      -4.591632      5.222871      3.839369
  O      -3.489864      5.317458      3.310486
  C      -5.861515      4.977885      3.122795
  N      -6.708858      4.131290      3.714804
  C      -7.865526      3.908105      3.088482
  N      -8.285822      4.438622      1.964993
  C      -7.455059      5.321219      1.347878
  C      -7.872778      5.929467      0.149596
  C      -7.045470      6.821112     -0.489280
  C      -5.784404      7.134533      0.042706
  C      -5.348708      6.559391      1.213092
  C      -6.169657      5.632880      1.894328
  C      -1.566253     -1.301193      4.509797
  C      -1.933102     -1.598411      3.029556
  O      -2.319914     -0.418421      2.330555
  C      -3.352971      0.316387      2.856718
  O      -3.994957     -0.116611      3.845410
  C      -3.932272      1.222276      1.830104
  N      -5.216871      1.508090      2.098612
  C      -5.874498      2.323065      1.278087
  N      -5.408933      2.911833      0.208620
  C      -4.117388      2.642073     -0.122335
  C      -3.601412      3.266737     -1.273079
  C      -2.313309      3.012333     -1.678815
  C      -1.509644      2.127056     -0.945983
  C      -1.987414      1.508291      0.189797
  C      -3.304283      1.745363      0.646803
  C      -4.336073     -0.467868      6.831599
  C      -5.349859     -0.000535      7.895984
  O      -5.837463      1.315535      7.637970
  C      -6.783334      1.465753      6.688049
  O      -7.177918      0.544351      5.982457
  C      -7.299392      2.848227      6.672946
  N      -6.473687      3.769200      7.170959
  C      -6.934822      5.020717      7.240911
  N      -8.110411      5.461029      6.868939
  C      -8.979850      4.546508      6.369531
  C     -10.267809      4.965301      5.979720
  C     -11.176621      4.046309      5.513531
  C     -10.834428      2.686230      5.422063
  C      -9.581477      2.248731      5.783985
  C      -8.621425      3.166412      6.257156
  H      -2.905029      4.320347      7.708963
  H      -4.275367      3.549487      6.864686
  H      -2.804246      5.797177      5.441445
  H      -3.923764      6.180943      6.789546
  H      -8.526847      3.188006      3.566353
  H      -8.849013      5.671837     -0.237745
  H      -7.365379      7.290695     -1.410271
  H      -5.148081      7.840590     -0.474700
  H      -4.372235      6.801137      1.609811
  H      -2.432307     -1.564403      5.128728
  H      -0.717939     -1.941426      4.786431
  H      -2.750717     -2.327788      2.980949
  H      -1.073211     -1.961105      2.460910
  H      -6.907194      2.498321      1.536765
  H      -4.260260      3.937759     -1.812231
  H      -1.917461      3.489271     -2.566002
  H      -0.497899      1.929588     -1.275560
  H      -1.346962      0.828652      0.731201
  H      -4.859423     -0.474986      5.870561
  H      -4.070781     -1.506651      7.094105
  H      -6.190136     -0.705094      7.906957
  H      -4.900671      0.070838      8.889665
  H      -6.250430      5.751607      7.663270
  H     -10.509289      6.015464      6.071947
  H     -12.168256      4.365003      5.220269
  H     -11.566197      1.974602      5.062582
  H      -9.314594      1.203146      5.705396
  N      -2.343022      2.392289      3.258099
  H      -2.041832      1.760639      2.526245
  H      -1.625735      3.122985      3.301352
  H      -3.184392      2.843226      2.915490
99
Coordinates from ORCA-job orca E -6652.925407319427
  N      -2.361109      3.252242      5.943259
  Mo     -2.610780      1.431865      5.127981
  N      -3.163467      0.353050      6.696329
  C      -2.203203      0.017619      7.741569
  C      -1.211414      1.155422      7.962785
  N      -0.548373      1.555728      6.709570
  C      -0.074193      2.943600      6.744916
  C      -1.027997      3.807344      5.883304
  C       0.467612      0.608072      6.249515
  C       0.170922      0.376250      4.757517
  N      -1.235391      0.072632      4.701904
  H      -0.660068      3.795354      4.844806
  H      -0.997631      4.850779      6.232011
  H       0.939456      3.020367      6.335287
  H      -0.055416      3.318223      7.778158
  H       0.795032     -0.430246      4.344108
  H       0.384962      1.303969      4.201326
  H       0.358459     -0.345566      6.780547
  H       1.486912      0.985990      6.408842
  H      -2.707982     -0.177970      8.702378
  H      -1.669427     -0.913931      7.462540
  H      -1.777040      2.018498      8.334033
  H      -0.465169      0.862568      8.721894
  C      -3.309343      4.062186      6.684614
  C      -3.653243      5.420384      6.013135
  O      -4.793965      5.332697      5.138548
  C      -4.612235      5.216657      3.803045
  O      -3.522584      5.302518      3.245786
  C      -5.909271      4.974441      3.110413
  N      -6.743521      4.137243      3.733247
  C      -7.924556      3.897244      3.136582
  N      -8.375252      4.414485      2.008253
  C      -7.551708      5.286991      1.361710
  C      -7.998681      5.872156      0.156099
  C      -7.187050      6.752359     -0.524127
  C      -5.910449      7.080792     -0.024361
  C      -5.445143      6.532624      1.152879
  C      -6.248595      5.612409      1.875557
  C      -1.576005     -1.315498      4.485074
  C      -1.941045     -1.614359      3.005325
  O      -2.310788     -0.436123      2.287182
  C      -3.338151      0.317817      2.811306
  O      -3.976468     -0.076379      3.824925
  C      -3.891961      1.239572      1.787152
  N      -5.165386      1.589523      2.062382
  C      -5.781913      2.446085      1.239811
  N      -5.278040      3.030867      0.167133
  C      -3.993142      2.695533     -0.157082
  C      -3.423532      3.311920     -1.293434
  C      -2.138073      2.995202     -1.690424
  C      -1.390378      2.054887     -0.960200
  C      -1.920192      1.444091      0.165754
  C      -3.232132      1.744753      0.608914
  C      -4.362627     -0.459561      6.797115
  C      -5.368268      0.000931      7.870846
  O      -5.861614      1.330951      7.656048
  C      -6.834351      1.491941      6.729084
  O      -7.247509      0.580477      6.024315
  C      -7.355294      2.886857      6.731187
  N      -6.527065      3.816302      7.211676
  C      -6.987743      5.077520      7.279584
  N      -8.177655      5.517221      6.920911
  C      -9.050703      4.587191      6.439705
  C     -10.349330      4.998116      6.059812
  C     -11.263331      4.070505      5.606701
  C     -10.915163      2.706308      5.517825
  C      -9.652237      2.274441      5.869249
  C      -8.686955      3.202004      6.330458
  H      -2.904819      4.305210      7.686576
  H      -4.256471      3.522854      6.818462
  H      -2.803388      5.802984      5.432890
  H      -3.947984      6.150550      6.777870
  H      -8.575727      3.182431      3.646603
  H      -8.988301      5.602213     -0.205262
  H      -7.531044      7.202991     -1.453447
  H      -5.284646      7.781811     -0.573558
  H      -4.457108      6.797345      1.518095
  H      -2.449322     -1.566185      5.099943
  H      -0.736906     -1.969865      4.769625
  H      -2.770168     -2.335283      2.962207
  H      -1.081875     -1.997284      2.443291
  H      -6.814032      2.680219      1.502266
  H      -4.040975      4.033112     -1.828500
  H      -1.702535      3.468496     -2.568806
  H      -0.379780      1.806971     -1.280359
  H      -1.321052      0.719357      0.710609
  H      -4.882621     -0.452809      5.833311
  H      -4.109641     -1.507671      7.049998
  H      -6.214949     -0.700567      7.877827
  H      -4.906918      0.047912      8.864214
  H      -6.287110      5.815946      7.681375
  H     -10.595285      6.054024      6.147989
  H     -12.264682      4.386755      5.320136
  H     -11.651588      1.985939      5.166746
  H      -9.380670      1.225526      5.790787
  N      -2.171579      2.491419      3.273270
  H      -1.844483      1.894998      2.517494
  H      -1.438877      3.205677      3.385040
  H      -2.985627      2.982655      2.908640
99
Coordinates from ORCA-job orca E -6652.942901127968
  N      -2.354488      3.238977      5.936276
  Mo     -2.578311      1.413337      5.147195
  N      -3.135968      0.339128      6.723830
  C      -2.167475      0.019200      7.769753
  C      -1.188286      1.167006      7.980367
  N      -0.524883      1.569499      6.723156
  C      -0.070144      2.969114      6.753182
  C      -1.029005      3.816367      5.882502
  C       0.500319      0.627681      6.260198
  C       0.206733      0.390359      4.766385
  N      -1.196054      0.067516      4.712307
  H      -0.641471      3.809106      4.850638
  H      -1.019289      4.864836      6.223632
  H       0.947284      3.056344      6.350125
  H      -0.060286      3.342711      7.788545
  H       0.838541     -0.412005      4.352142
  H       0.415371      1.319813      4.208386
  H       0.400103     -0.326313      6.795242
  H       1.516748      1.017625      6.421932
  H      -2.667211     -0.172959      8.735882
  H      -1.625586     -0.912717      7.500177
  H      -1.759808      2.030910      8.344055
  H      -0.437367      0.889394      8.743227
  C      -3.336427      4.021988      6.670310
  C      -3.707277      5.374324      6.018454
  O      -4.850338      5.294687      5.138451
  C      -4.664043      5.203908      3.805430
  O      -3.573456      5.265708      3.248847
  C      -5.974976      5.033444      3.098030
  N      -6.852438      4.226941      3.697149
  C      -8.037723      4.040327      3.077297
  N      -8.452241      4.595313      1.946763
  C      -7.576140      5.439010      1.328386
  C      -7.974044      6.054374      0.116895
  C      -7.110862      6.901581     -0.544903
  C      -5.827894      7.169211     -0.017313
  C      -5.410984      6.593438      1.166798
  C      -6.267669      5.702168      1.867476
  C      -1.534996     -1.326722      4.507036
  C      -1.915352     -1.647404      3.036003
  O      -2.307804     -0.487795      2.291080
  C      -3.336648      0.268812      2.815815
  O      -3.940678     -0.089861      3.872668
  C      -3.921404      1.174561      1.810072
  N      -5.184956      1.532095      2.136945
  C      -5.832552      2.379658      1.327814
  N      -5.371633      2.962383      0.225149
  C      -4.095353      2.624627     -0.138633
  C      -3.561534      3.240831     -1.294114
  C      -2.286120      2.926590     -1.736142
  C      -1.512365      1.986769     -1.030532
  C      -2.006062      1.375133      0.116647
  C      -3.303585      1.675908      0.603957
  C      -4.339196     -0.475787      6.827129
  C      -5.340216     -0.029254      7.904001
  O      -5.841360      1.308265      7.714110
  C      -6.810344      1.466654      6.779827
  O      -7.200949      0.565224      6.053380
  C      -7.343366      2.866468      6.781868
  N      -6.545893      3.801165      7.298694
  C      -7.019966      5.063229      7.348576
  N      -8.200733      5.498161      6.941528
  C      -9.041099      4.556079      6.419780
  C     -10.325222      4.957421      5.977835
  C     -11.209538      4.024587      5.473822
  C     -10.844058      2.661807      5.393488
  C      -9.594389      2.238381      5.804927
  C      -8.660033      3.172903      6.322059
  H      -2.944172      4.265162      7.678895
  H      -4.270503      3.455316      6.800820
  H      -2.859264      5.785475      5.452773
  H      -4.020302      6.083274      6.797191
  H      -8.727580      3.348672      3.572497
  H      -8.970259      5.829565     -0.265232
  H      -7.417584      7.373103     -1.480203
  H      -5.158780      7.846891     -0.550089
  H      -4.417807      6.819301      1.549212
  H      -2.397271     -1.578138      5.136765
  H      -0.686809     -1.971919      4.793046
  H      -2.737102     -2.379919      3.018362
  H      -1.057878     -2.036006      2.472332
  H      -6.858591      2.618013      1.629647
  H      -4.200492      3.964662     -1.806515
  H      -1.880420      3.402485     -2.630847
  H      -0.510070      1.737968     -1.384312
  H      -1.387980      0.650066      0.643238
  H      -4.856083     -0.468289      5.861030
  H      -4.085000     -1.526644      7.075833
  H      -6.185251     -0.734527      7.905687
  H      -4.876685      0.005756      8.898851
  H      -6.339058      5.806485      7.778689
  H     -10.584414      6.013743      6.057990
  H     -12.199993      4.336382      5.137986
  H     -11.556621      1.935650      4.999171
  H      -9.308693      1.191209      5.730729
  N      -2.058669      2.539359      3.290228
  H      -1.709206      1.961807      2.519758
  H      -1.330984      3.250577      3.433164
  H      -2.860142      3.046152      2.910933
99
Coordinates from ORCA-job orca E -6652.955644985820
  N      -2.313746      3.248176      5.933225
  Mo     -2.549765      1.431313      5.131220
  N      -3.152922      0.359033      6.702192
  C      -2.191796      0.020563      7.756395
  C      -1.194998      1.148687      7.984252
  N      -0.507602      1.554429      6.737112
  C      -0.043765      2.954539      6.792253
  C      -0.981936      3.824510      5.918986
  C       0.506611      0.600801      6.262806
  C       0.225182      0.384209      4.758263
  N      -1.183185      0.074588      4.681797
  H      -0.562309      3.839606      4.902049
  H      -0.976983      4.868093      6.276660
  H       0.983140      3.039088      6.411608
  H      -0.048329      3.304958      7.835978
  H       0.850752     -0.421877      4.340344
  H       0.455741      1.316597      4.213814
  H       0.386994     -0.357992      6.785479
  H       1.526569      0.975190      6.442327
  H      -2.700577     -0.167033      8.719321
  H      -1.664087     -0.921264      7.490518
  H      -1.753364      2.022351      8.345710
  H      -0.456539      0.856666      8.754641
  C      -3.310647      4.015326      6.670581
  C      -3.686877      5.373570      6.053377
  O      -4.833938      5.299939      5.177276
  C      -4.653106      5.233174      3.847628
  O      -3.569335      5.289692      3.280005
  C      -5.974040      5.045484      3.154986
  N      -6.836804      4.244142      3.774309
  C      -8.019500      4.019900      3.158096
  N      -8.440972      4.536403      2.011006
  C      -7.574323      5.377266      1.375092
  C      -7.974239      5.949777      0.142107
  C      -7.121437      6.790566     -0.541192
  C      -5.846769      7.097976     -0.011344
  C      -5.430616      6.566348      1.193311
  C      -6.274757      5.679805      1.911508
  C      -1.543982     -1.316781      4.462965
  C      -1.935528     -1.630641      2.992336
  O      -2.327949     -0.477496      2.229899
  C      -3.350085      0.295860      2.743568
  O      -3.934206     -0.022935      3.834604
  C      -3.926858      1.205666      1.750964
  N      -5.176961      1.618721      2.084293
  C      -5.792597      2.477419      1.262995
  N      -5.317279      3.036499      0.149563
  C      -4.053143      2.650659     -0.209097
  C      -3.490269      3.242779     -1.364259
  C      -2.225475      2.882038     -1.802533
  C      -1.489389      1.916729     -1.092793
  C      -2.010280      1.328253      0.055484
  C      -3.296034      1.678679      0.538525
  C      -4.372898     -0.439167      6.805803
  C      -5.357928      0.006097      7.892128
  O      -5.863950      1.349805      7.723823
  C      -6.859941      1.491150      6.813453
  O      -7.270498      0.579650      6.113497
  C      -7.403080      2.892260      6.809402
  N      -6.602990      3.841944      7.289721
  C      -7.082070      5.104254      7.312859
  N      -8.271735      5.526096      6.916707
  C      -9.114438      4.564836      6.432695
  C     -10.405755      4.951764      5.998099
  C     -11.294163      4.006493      5.525588
  C     -10.923993      2.643522      5.469957
  C      -9.667089      2.233424      5.874208
  C      -8.729050      3.181852      6.361095
  H      -2.928118      4.235352      7.688868
  H      -4.240061      3.438406      6.789983
  H      -2.841376      5.808484      5.501409
  H      -4.010803      6.058927      6.848724
  H      -8.697585      3.331490      3.672461
  H      -8.964147      5.694770     -0.238993
  H      -7.429553      7.226922     -1.493480
  H      -5.185431      7.772736     -0.558332
  H      -4.447168      6.829306      1.577197
  H      -2.403986     -1.563338      5.097255
  H      -0.701796     -1.972090      4.746677
  H      -2.760016     -2.360635      2.983963
  H      -1.083128     -2.030788      2.428489
  H      -6.810487      2.757184      1.559746
  H      -4.099164      3.990456     -1.878997
  H      -1.800404      3.341897     -2.697245
  H      -0.495533      1.628353     -1.441934
  H      -1.421859      0.582400      0.587079
  H      -4.889758     -0.426773      5.839941
  H      -4.128124     -1.494227      7.049802
  H      -6.206284     -0.695159      7.902681
  H      -4.881931      0.029956      8.881991
  H      -6.393965      5.861155      7.705936
  H     -10.666662      6.009616      6.056874
  H     -12.289412      4.309219      5.194261
  H     -11.638213      1.906264      5.098493
  H      -9.378239      1.186283      5.816258
  N      -1.917425      2.617320      3.281728
  H      -1.556691      2.051745      2.503592
  H      -1.182249      3.309621      3.457825
  H      -2.694657      3.154986      2.888125
99
Coordinates from ORCA-job orca E -6652.962913831086
  N      -2.340558      3.237707      5.915706
  Mo     -2.524605      1.417866      5.121393
  N      -3.151596      0.348788      6.683609
  C      -2.198252      0.019675      7.744511
  C      -1.221323      1.158869      7.982661
  N      -0.522373      1.578144      6.746799
  C      -0.088291      2.987503      6.819166
  C      -1.026304      3.846769      5.937876
  C       0.510775      0.643214      6.277129
  C       0.258311      0.427030      4.768102
  N      -1.139435      0.090134      4.670695
  H      -0.578416      3.888528      4.935537
  H      -1.056521      4.886327      6.305125
  H       0.945723      3.092826      6.463471
  H      -0.119275      3.323625      7.866902
  H       0.903976     -0.367564      4.358876
  H       0.482500      1.363147      4.228736
  H       0.397806     -0.318926      6.794848
  H       1.521058      1.033948      6.476495
  H      -2.713142     -0.172560      8.703194
  H      -1.658436     -0.917495      7.487053
  H      -1.794220      2.026572      8.335019
  H      -0.488734      0.880633      8.763666
  C      -3.373512      3.962220      6.643796
  C      -3.778825      5.312842      6.036994
  O      -4.916170      5.214337      5.148961
  C      -4.722690      5.156683      3.821735
  O      -3.635013      5.211228      3.262199
  C      -6.045817      5.020085      3.114135
  N      -6.939935      4.241866      3.715913
  C      -8.118587      4.053628      3.080296
  N      -8.508399      4.589034      1.932182
  C      -7.608839      5.408929      1.314783
  C      -7.971693      5.997365      0.077995
  C      -7.084898      6.815791     -0.587583
  C      -5.812220      7.087596     -0.033834
  C      -5.432160      6.540133      1.175211
  C      -6.310893      5.672468      1.872489
  C      -1.483972     -1.304960      4.460226
  C      -1.875580     -1.632294      2.994566
  O      -2.291821     -0.498100      2.214478
  C      -3.324578      0.267208      2.710346
  O      -3.874598     -0.019041      3.832997
  C      -3.917064      1.168081      1.730650
  N      -5.158331      1.600742      2.083552
  C      -5.778523      2.450430      1.260280
  N      -5.319214      2.997931      0.133970
  C      -4.059980      2.606719     -0.235935
  C      -3.503813      3.194263     -1.396898
  C      -2.244782      2.830766     -1.845833
  C      -1.505593      1.865320     -1.141103
  C      -2.018678      1.281281      0.012268
  C      -3.298149      1.635840      0.507050
  C      -4.369644     -0.451261      6.773441
  C      -5.347994     -0.037454      7.874441
  O      -5.858371      1.313264      7.758843
  C      -6.859808      1.488808      6.860364
  O      -7.269468      0.611079      6.118746
  C      -7.400580      2.891438      6.919158
  N      -6.609777      3.809827      7.468090
  C      -7.080657      5.073742      7.534437
  N      -8.254067      5.523107      7.124910
  C      -9.086971      4.592929      6.568729
  C     -10.357816      5.014439      6.107685
  C     -11.235142      4.104733      5.553929
  C     -10.872790      2.743555      5.440962
  C      -9.635639      2.301035      5.869537
  C      -8.709623      3.212618      6.441449
  H      -3.014819      4.178509      7.671910
  H      -4.283212      3.352374      6.748930
  H      -2.940475      5.781815      5.502998
  H      -4.132508      5.978050      6.836293
  H      -8.823279      3.382451      3.581466
  H      -8.961405      5.770416     -0.320534
  H      -7.364226      7.262491     -1.543648
  H      -5.123970      7.747132     -0.565487
  H      -4.451207      6.779165      1.580267
  H      -2.335612     -1.560639      5.102535
  H      -0.632009     -1.946455      4.746248
  H      -2.684672     -2.379179      2.996009
  H      -1.018001     -2.024693      2.433439
  H      -6.791764      2.737652      1.564004
  H      -4.113042      3.943604     -1.907364
  H      -1.827278      3.288864     -2.744827
  H      -0.516024      1.571987     -1.497709
  H      -1.428324      0.535110      0.539695
  H      -4.882257     -0.425273      5.805304
  H      -4.121228     -1.510329      6.996325
  H      -6.195101     -0.739678      7.873192
  H      -4.866316     -0.044228      8.861770
  H      -6.399358      5.806475      7.980841
  H     -10.610972      6.070696      6.209727
  H     -12.213710      4.434723      5.200493
  H     -11.576710      2.033667      5.003048
  H      -9.352457      1.256424      5.764471
  N      -1.833737      2.633879      3.267266
  H      -1.454691      2.072995      2.496638
  H      -1.109598      3.332063      3.459791
  H      -2.606142      3.168797      2.859358
99
Coordinates from ORCA-job orca E -6652.966975120039
  N      -2.290353      3.242051      5.922817
  Mo     -2.478629      1.422205      5.141366
  N      -3.125141      0.374616      6.704698
  C      -2.170846      0.039279      7.761230
  C      -1.180899      1.165554      7.989808
  N      -0.481837      1.577083      6.750794
  C      -0.042410      2.984612      6.827478
  C      -0.979615      3.852246      5.955526
  C       0.539053      0.635284      6.269218
  C       0.282719      0.421528      4.761426
  N      -1.114995      0.091638      4.664267
  H      -0.526796      3.911426      4.956427
  H      -1.014180      4.887705      6.333682
  H       0.993761      3.084711      6.476109
  H      -0.070564      3.311318      7.878137
  H       0.923474     -0.377634      4.352768
  H       0.513861      1.354498      4.220558
  H       0.419265     -0.326232      6.786775
  H       1.552844      1.017769      6.468709
  H      -2.680524     -0.144035      8.724419
  H      -1.643661     -0.905927      7.507008
  H      -1.741288      2.041873      8.340527
  H      -0.448176      0.885187      8.770150
  C      -3.319619      3.948263      6.670771
  C      -3.731215      5.306027      6.089619
  O      -4.881365      5.219129      5.217552
  C      -4.701840      5.173698      3.888019
  O      -3.618523      5.198343      3.318627
  C      -6.036852      5.089021      3.192617
  N      -6.958177      4.351701      3.804882
  C      -8.143542      4.201200      3.172414
  N      -8.514477      4.738708      2.020367
  C      -7.587478      5.520258      1.392942
  C      -7.928236      6.108911      0.150324
  C      -7.012300      6.888162     -0.522269
  C      -5.731587      7.121672      0.030388
  C      -5.372021      6.571869      1.244288
  C      -6.281287      5.742298      1.947372
  C      -1.479614     -1.299614      4.468917
  C      -1.909036     -1.632479      3.017013
  O      -2.339471     -0.508970      2.229358
  C      -3.353646      0.272479      2.724478
  O      -3.848097      0.039072      3.888818
  C      -3.960002      1.173337      1.765171
  N      -5.174460      1.646295      2.163169
  C      -5.809634      2.488346      1.347302
  N      -5.388139      3.004825      0.192241
  C      -4.149242      2.588125     -0.217562
  C      -3.625490      3.149932     -1.406140
  C      -2.390173      2.761597     -1.895080
  C      -1.641436      1.793677     -1.204161
  C      -2.122478      1.233423     -0.026176
  C      -3.376563      1.615499      0.511025
  C      -4.351660     -0.409810      6.798410
  C      -5.329153      0.010954      7.894179
  O      -5.853844      1.355167      7.752812
  C      -6.868809      1.477928      6.860806
  O      -7.277507      0.557939      6.172036
  C      -7.432996      2.873766      6.852001
  N      -6.657694      3.835835      7.345944
  C      -7.148087      5.094686      7.328801
  N      -8.325231      5.498882      6.887376
  C      -9.142075      4.524285      6.386850
  C     -10.415323      4.899431      5.893621
  C     -11.276087      3.945895      5.391196
  C     -10.893359      2.586009      5.364122
  C      -9.653361      2.188209      5.825753
  C      -8.743965      3.145155      6.347384
  H      -2.952869      4.146778      7.699956
  H      -4.222028      3.330054      6.783527
  H      -2.901089      5.786512      5.553428
  H      -4.074082      5.958506      6.903056
  H      -8.872234      3.564040      3.683011
  H      -8.925148      5.913139     -0.246654
  H      -7.274655      7.333662     -1.483556
  H      -5.020467      7.751681     -0.506684
  H      -4.385359      6.780286      1.652570
  H      -2.315179     -1.545284      5.136467
  H      -0.627679     -1.948341      4.738509
  H      -2.718793     -2.378224      3.044329
  H      -1.067215     -2.035927      2.440118
  H      -6.806863      2.798495      1.680925
  H      -4.239518      3.901771     -1.906444
  H      -1.999546      3.201595     -2.814907
  H      -0.670683      1.477771     -1.591698
  H      -1.526072      0.484192      0.488374
  H      -4.860042     -0.390730      5.827529
  H      -4.107777     -1.469326      7.026874
  H      -6.172301     -0.695728      7.905293
  H      -4.849140      0.020652      8.882201
  H      -6.481455      5.865633      7.730136
  H     -10.682661      5.956461      5.928788
  H     -12.256008      4.240061      5.011239
  H     -11.583175      1.840517      4.964815
  H      -9.355019      1.143391      5.784539
  N      -1.747692      2.638861      3.256930
  H      -1.383741      2.065268      2.489569
  H      -1.013995      3.328144      3.443278
  H      -2.515537      3.184072      2.852628
99
Coordinates from ORCA-job orca E -6652.970700399786
  N      -2.281597      3.242022      5.933107
  Mo     -2.454740      1.419013      5.152834
  N      -3.116674      0.383497      6.716121
  C      -2.161161      0.044850      7.778331
  C      -1.165017      1.165263      8.014537
  N      -0.457800      1.584936      6.779757
  C      -0.033101      2.998162      6.868053
  C      -0.975986      3.866625      5.996366
  C       0.562107      0.647014      6.284109
  C       0.310205      0.437714      4.771782
  N      -1.089178      0.100220      4.657702
  H      -0.509172      3.951149      5.004905
  H      -1.030445      4.896512      6.387382
  H       1.006835      3.107805      6.530275
  H      -0.071441      3.312261      7.922168
  H       0.957290     -0.357918      4.365160
  H       0.543466      1.372093      4.235125
  H       0.441965     -0.317389      6.796719
  H       1.575215      1.029373      6.489958
  H      -2.671158     -0.138004      8.741545
  H      -1.638225     -0.903562      7.526888
  H      -1.723406      2.043046      8.364477
  H      -0.437056      0.883685      8.799250
  C      -3.320846      3.927808      6.689202
  C      -3.739352      5.289525      6.124283
  O      -4.890549      5.204164      5.253890
  C      -4.708685      5.170978      3.923364
  O      -3.623811      5.183979      3.357173
  C      -6.044981      5.123460      3.225199
  N      -6.988292      4.410491      3.834540
  C      -8.170997      4.284452      3.192795
  N      -8.519260      4.824355      2.036362
  C      -7.571523      5.583936      1.411592
  C      -7.886897      6.173091      0.163005
  C      -6.947443      6.928677     -0.503789
  C      -5.668322      7.139860      0.060909
  C      -5.332841      6.588266      1.280608
  C      -6.266291      5.780307      1.976727
  C      -1.452685     -1.295117      4.462281
  C      -1.904575     -1.631757      3.018098
  O      -2.363250     -0.524959      2.221908
  C      -3.376203      0.256646      2.702458
  O      -3.819996      0.070625      3.900990
  C      -3.994461      1.152381      1.760020
  N      -5.190632      1.645964      2.191468
  C      -5.844366      2.476793      1.383325
  N      -5.456648      2.976563      0.210114
  C      -4.229208      2.554900     -0.229301
  C      -3.735073      3.108511     -1.434155
  C      -2.514426      2.716458     -1.953042
  C      -1.749800      1.750361     -1.276351
  C      -2.201846      1.197595     -0.084087
  C      -3.440095      1.585203      0.484938
  C      -4.349276     -0.392670      6.813078
  C      -5.317734      0.020978      7.916249
  O      -5.840005      1.367660      7.778215
  C      -6.860559      1.476096      6.891354
  O      -7.266888      0.542984      6.219119
  C      -7.434472      2.868663      6.856978
  N      -6.675051      3.844977      7.348571
  C      -7.173613      5.100518      7.294289
  N      -8.343336      5.486238      6.821058
  C      -9.143762      4.497983      6.321761
  C     -10.407015      4.857731      5.792458
  C     -11.249591      3.890981      5.285701
  C     -10.857074      2.533600      5.290761
  C      -9.626553      2.151380      5.788263
  C      -8.735748      3.121520      6.316766
  H      -2.959797      4.112031      7.723516
  H      -4.214348      3.297235      6.799441
  H      -2.914013      5.785235      5.594935
  H      -4.085563      5.929471      6.945386
  H      -8.918087      3.667449      3.701377
  H      -8.883635      5.996120     -0.243141
  H      -7.190254      7.373199     -1.470593
  H      -4.939307      7.752796     -0.471749
  H      -4.348750      6.778449      1.703602
  H      -2.273884     -1.548700      5.145526
  H      -0.594166     -1.940966      4.718127
  H      -2.702338     -2.389830      3.061763
  H      -1.068237     -2.030442      2.429905
  H      -6.832950      2.792478      1.737414
  H      -4.359141      3.859078     -1.924045
  H      -2.148268      3.151673     -2.885154
  H      -0.790374      1.428706     -1.686707
  H      -1.594070      0.449788      0.417538
  H      -4.861017     -0.370307      5.843543
  H      -4.105848     -1.454973      7.032517
  H      -6.163928     -0.681811      7.930198
  H      -4.834991      0.022536      8.902896
  H      -6.522594      5.885513      7.693604
  H     -10.679997      5.913814      5.802571
  H     -12.221182      4.172664      4.876231
  H     -11.531229      1.776790      4.886114
  H      -9.321147      1.107902      5.769722
  N      -1.684609      2.651938      3.227950
  H      -1.326769      2.067562      2.466229
  H      -0.950173      3.341547      3.409886
  H      -2.454344      3.196406      2.825328
99
Coordinates from ORCA-job orca E -6652.972305463272
  N      -2.383863      3.246152      5.908498
  Mo     -2.466186      1.435978      5.085239
  N      -3.192298      0.361593      6.587475
  C      -2.280828     -0.001760      7.681771
  C      -1.317613      1.129254      7.999512
  N      -0.561995      1.603231      6.813528
  C      -0.177405      3.024734      6.956362
  C      -1.098564      3.898114      6.062071
  C       0.502352      0.701257      6.345212
  C       0.335214      0.524351      4.818837
  N      -1.049668      0.162581      4.615102
  H      -0.588608      4.029075      5.095737
  H      -1.199920      4.912350      6.484166
  H       0.875589      3.164665      6.674905
  H      -0.273390      3.310985      8.014790
  H       1.022050     -0.247763      4.431667
  H       0.576913      1.475648      4.316679
  H       0.376648     -0.278389      6.827151
  H       1.495521      1.097407      6.613815
  H      -2.830603     -0.221675      8.615169
  H      -1.733117     -0.934933      7.425906
  H      -1.911195      1.983975      8.348739
  H      -0.622743      0.839117      8.810722
  C      -3.475400      3.875857      6.642546
  C      -3.931212      5.229034      6.087164
  O      -5.046007      5.102868      5.178867
  C      -4.817463      5.098219      3.855504
  O      -3.716273      5.177787      3.328825
  C      -6.118505      4.928444      3.117239
  N      -7.027972      4.160126      3.710854
  C      -8.168845      3.921578      3.025442
  N      -8.503032      4.391910      1.834587
  C      -7.591654      5.207387      1.225590
  C      -7.890202      5.730371     -0.055848
  C      -6.981202      6.541163     -0.701492
  C      -5.753694      6.876110     -0.083533
  C      -5.436887      6.389924      1.168274
  C      -6.336151      5.528349      1.842759
  C      -1.372023     -1.236943      4.374535
  C      -1.759255     -1.550990      2.906888
  O      -2.215965     -0.443059      2.112461
  C      -3.266067      0.307842      2.552433
  O      -3.734742      0.118472      3.743624
  C      -3.857011      1.191383      1.586042
  N      -5.081843      1.670626      1.945556
  C      -5.705979      2.469416      1.081852
  N      -5.263551      2.954535     -0.078611
  C      -4.003474      2.555674     -0.438418
  C      -3.448895      3.098695     -1.621866
  C      -2.191869      2.722208     -2.059724
  C      -1.451558      1.781996     -1.321822
  C      -1.965122      1.240679     -0.149829
  C      -3.240918      1.615354      0.337234
  C      -4.427167     -0.415802      6.606229
  C      -5.396337     -0.068585      7.733055
  O      -5.886458      1.298246      7.720135
  C      -6.924074      1.557576      6.887083
  O      -7.396243      0.740450      6.114008
  C      -7.447246      2.954841      7.096960
  N      -6.633800      3.795462      7.729969
  C      -7.077573      5.056763      7.927144
  N      -8.245766      5.562914      7.583707
  C      -9.103346      4.715016      6.942509
  C     -10.368918      5.212559      6.546909
  C     -11.267914      4.390103      5.901639
  C     -10.930337      3.045202      5.629083
  C      -9.700030      2.532545      5.991913
  C      -8.752161      3.350556      6.659685
  H      -3.163418      4.047555      7.695042
  H      -4.346756      3.208703      6.705350
  H      -3.111377      5.768438      5.593101
  H      -4.335929      5.840452      6.904550
  H      -8.884209      3.257369      3.520979
  H      -8.847312      5.460140     -0.503428
  H      -7.209591      6.934287     -1.693642
  H      -5.051577      7.531806     -0.600916
  H      -4.496484      6.670854      1.638898
  H      -2.211022     -1.527098      5.020917
  H      -0.509097     -1.870263      4.646622
  H      -2.535287     -2.332916      2.901737
  H      -0.890227     -1.914369      2.343537
  H      -6.721463      2.761236      1.365814
  H      -4.055090      3.827440     -2.163622
  H      -1.779038      3.148890     -2.975907
  H      -0.463997      1.471243     -1.668392
  H      -1.375519      0.512076      0.400966
  H      -4.921836     -0.326153      5.631951
  H      -4.197578     -1.493181      6.757813
  H      -6.254134     -0.755866      7.696973
  H      -4.912709     -0.155139      8.715382
  H      -6.379548      5.729757      8.436674
  H     -10.596607      6.255688      6.769293
  H     -12.240537      4.777633      5.594403
  H     -11.648031      2.403835      5.115103
  H      -9.440027      1.502507      5.761626
  N      -1.619465      2.722408      3.197737
  H      -1.223321      2.148371      2.446380
  H      -0.906588      3.422207      3.420918
  H      -2.386488      3.257158      2.773550
99
Coordinates from ORCA-job orca E -6652.975795047280
  N      -2.372842      3.244194      5.897499
  Mo     -2.433728      1.420011      5.111596
  N      -3.151193      0.362168      6.624774
  C      -2.233304      0.009055      7.714158
  C      -1.277187      1.146889      8.019733
  N      -0.533713      1.620593      6.826995
  C      -0.163621      3.046960      6.952139
  C      -1.093202      3.905059      6.053836
  C       0.535373      0.724805      6.360765
  C       0.370145      0.534153      4.838439
  N      -1.009908      0.163582      4.624788
  H      -0.586316      4.042152      5.086592
  H      -1.206208      4.918729      6.474885
  H       0.887800      3.190342      6.666470
  H      -0.256586      3.344397      8.007863
  H       1.064578     -0.236026      4.460726
  H       0.608109      1.482087      4.328246
  H       0.417975     -0.251562      6.851845
  H       1.526653      1.128814      6.625236
  H      -2.774667     -0.211890      8.652166
  H      -1.680562     -0.921095      7.458898
  H      -1.874212      1.999159      8.369416
  H      -0.575569      0.866224      8.828451
  C      -3.466454      3.855703      6.641245
  C      -3.937165      5.207173      6.093217
  O      -5.049229      5.079168      5.178845
  C      -4.814073      5.076032      3.854559
  O      -3.709473      5.146819      3.334408
  C      -6.119578      4.998923      3.105275
  N      -7.076774      4.282731      3.687231
  C      -8.233845      4.135087      3.002912
  N      -8.541710      4.650638      1.824625
  C      -7.581436      5.415447      1.226831
  C      -7.853211      5.983052     -0.041362
  C      -6.897164      6.744324     -0.677942
  C      -5.645771      6.983572     -0.064345
  C      -5.351871      6.450836      1.174323
  C      -6.302410      5.637749      1.841440
  C      -1.326452     -1.240393      4.404446
  C      -1.740611     -1.573912      2.947325
  O      -2.226501     -0.482839      2.145790
  C      -3.278265      0.261770      2.589620
  O      -3.701807      0.109848      3.805272
  C      -3.897684      1.138124      1.637537
  N      -5.111300      1.615426      2.039561
  C      -5.778785      2.391828      1.188896
  N      -5.385828      2.866685      0.007013
  C      -4.132198      2.482871     -0.390799
  C      -3.626265      3.025872     -1.595200
  C      -2.378404      2.665353     -2.072241
  C      -1.599282      1.741624     -1.353065
  C      -2.065538      1.199975     -0.161076
  C      -3.329699      1.558807      0.364986
  C      -4.384241     -0.418912      6.654819
  C      -5.355828     -0.075690      7.780915
  O      -5.866014      1.283456      7.756181
  C      -6.916132      1.504371      6.928140
  O      -7.374209      0.661534      6.174799
  C      -7.453457      2.904257      7.087434
  N      -6.667114      3.768768      7.722190
  C      -7.126286      5.031874      7.870114
  N      -8.286899      5.518527      7.475676
  C      -9.116611      4.646093      6.830880
  C     -10.373274      5.121198      6.382746
  C     -11.242793      4.274352      5.728553
  C     -10.883712      2.926749      5.499512
  C      -9.661703      2.435089      5.915228
  C      -8.744423      3.278271      6.594449
  H      -3.153569      4.024788      7.693678
  H      -4.328052      3.177016      6.705098
  H      -3.121572      5.756270      5.603044
  H      -4.346238      5.810945      6.914424
  H      -8.991036      3.514055      3.491353
  H      -8.829239      5.786483     -0.486589
  H      -7.105392      7.170624     -1.660866
  H      -4.904860      7.600171     -0.575808
  H      -4.390797      6.654961      1.640548
  H      -2.147356     -1.532728      5.073194
  H      -0.453319     -1.865515      4.662445
  H      -2.503856     -2.368344      2.964936
  H      -0.877747     -1.932286      2.371280
  H      -6.787710      2.673002      1.505801
  H      -4.262064      3.741351     -2.121310
  H      -2.002832      3.092108     -3.004346
  H      -0.619089      1.443346     -1.730310
  H      -1.446546      0.484376      0.375083
  H      -4.883748     -0.335039      5.682596
  H      -4.148029     -1.495210      6.805146
  H      -6.207075     -0.771477      7.748443
  H      -4.872069     -0.150424      8.764010
  H      -6.449127      5.724990      8.381254
  H     -10.617273      6.167274      6.571811
  H     -12.208402      4.644526      5.380129
  H     -11.577655      2.266193      4.977044
  H      -9.384737      1.402232      5.719126
  N      -1.600987      2.690471      3.183213
  H      -1.220306      2.102842      2.435777
  H      -0.886742      3.395126      3.385267
  H      -2.377023      3.214712      2.767674
99
Coordinates from ORCA-job orca E -6652.978579743250
  N      -2.332898      3.265541      5.904714
  Mo     -2.406146      1.434122      5.145535
  N      -3.115835      0.385161      6.662807
  C      -2.192873      0.020822      7.741169
  C      -1.228809      1.152133      8.038643
  N      -0.501414      1.620523      6.835120
  C      -0.117792      3.043860      6.943378
  C      -1.043908      3.908439      6.051909
  C       0.557567      0.716181      6.362527
  C       0.386297      0.524437      4.843990
  N      -0.996400      0.173253      4.623298
  H      -0.551072      4.042237      5.076840
  H      -1.142434      4.921858      6.478059
  H       0.931294      3.171318      6.642250
  H      -0.192027      3.353404      7.997226
  H       1.073062     -0.253366      4.467866
  H       0.634404      1.468622      4.330739
  H       0.435378     -0.257741      6.857730
  H       1.555036      1.109563      6.619906
  H      -2.725117     -0.204979      8.682993
  H      -1.645136     -0.908559      7.473888
  H      -1.815963      2.006726      8.400030
  H      -0.518334      0.864175      8.836774
  C      -3.407996      3.874085      6.674455
  C      -3.882658      5.229492      6.141688
  O      -5.011111      5.114573      5.244219
  C      -4.792382      5.110633      3.915979
  O      -3.691193      5.144591      3.385575
  C      -6.107211      5.089090      3.177171
  N      -7.098350      4.439247      3.779536
  C      -8.270677      4.351352      3.110457
  N      -8.560778      4.861459      1.925418
  C      -7.564391      5.557788      1.305668
  C      -7.819527      6.122158      0.032530
  C      -6.832694      6.825797     -0.622350
  C      -5.565153      7.009090     -0.023258
  C      -5.284716      6.474490      1.217620
  C      -6.268594      5.718685      1.905037
  C      -1.333251     -1.227757      4.415512
  C      -1.788717     -1.561532      2.969714
  O      -2.284479     -0.469743      2.173548
  C      -3.321459      0.286819      2.633924
  O      -3.705226      0.166755      3.864501
  C      -3.947814      1.171749      1.691435
  N      -5.124630      1.703233      2.136757
  C      -5.803206      2.486162      1.298562
  N      -5.446820      2.917097      0.087898
  C      -4.224331      2.481295     -0.353412
  C      -3.752714      2.978106     -1.591299
  C      -2.535696      2.568132     -2.107970
  C      -1.754387      1.640842     -1.396798
  C      -2.188203      1.141141     -0.174400
  C      -3.419586      1.549453      0.390457
  C      -4.351267     -0.392398      6.695221
  C      -5.325298     -0.063412      7.822318
  O      -5.851661      1.286924      7.778110
  C      -6.913618      1.452215      6.954062
  O      -7.362516      0.564455      6.248596
  C      -7.469038      2.852163      7.030006
  N      -6.709402      3.763350      7.630251
  C      -7.187609      5.027020      7.688845
  N      -8.342317      5.473909      7.232763
  C      -9.143866      4.552634      6.622395
  C     -10.393754      4.980983      6.112839
  C     -11.234854      4.082103      5.492121
  C     -10.854777      2.727008      5.360057
  C      -9.639065      2.279233      5.837851
  C      -8.750020      3.177905      6.483140
  H      -3.076318      4.036594      7.721566
  H      -4.270929      3.197608      6.746919
  H      -3.071550      5.774089      5.638789
  H      -4.270056      5.832883      6.972516
  H      -9.059176      3.788952      3.618931
  H      -8.809201      5.972770     -0.400382
  H      -7.028939      7.250598     -1.608271
  H      -4.799716      7.581743     -0.549274
  H      -4.310417      6.633424      1.672785
  H      -2.138165     -1.512212      5.107556
  H      -0.461023     -1.863660      4.647667
  H      -2.555265     -2.351985      3.007886
  H      -0.942565     -1.927248      2.373846
  H      -6.784924      2.816183      1.656357
  H      -4.388815      3.696283     -2.111959
  H      -2.186077      2.959611     -3.065151
  H      -0.799474      1.304814     -1.805406
  H      -1.569925      0.419541      0.354338
  H      -4.857973     -0.295587      5.727541
  H      -4.114182     -1.470095      6.829055
  H      -6.168574     -0.768414      7.784552
  H      -4.845848     -0.127979      8.808141
  H      -6.534734      5.758097      8.176861
  H     -10.655489      6.033304      6.228893
  H     -12.195633      4.415595      5.096623
  H     -11.527004      2.025393      4.863519
  H      -9.343966      1.240115      5.715998
  N      -1.596557      2.690611      3.184879
  H      -1.242796      2.091225      2.435404
  H      -0.872313      3.389935      3.366950
  H      -2.380377      3.215585      2.788349
99
Coordinates from ORCA-job orca E -6652.980097843041
  N      -2.317474      3.280990      5.900074
  Mo     -2.384965      1.441166      5.163682
  N      -3.094170      0.392561      6.678234
  C      -2.177547      0.024161      7.760997
  C      -1.213856      1.156188      8.057575
  N      -0.495632      1.619464      6.847467
  C      -0.102719      3.041942      6.942016
  C      -1.020006      3.910430      6.047439
  C       0.565086      0.710333      6.383013
  C       0.408441      0.520422      4.864701
  N      -0.974277      0.182568      4.619971
  H      -0.534103      4.039653      5.068102
  H      -1.109602      4.924003      6.476830
  H       0.946098      3.157120      6.634195
  H      -0.168695      3.364046      7.992991
  H       1.095536     -0.261110      4.496318
  H       0.668534      1.463714      4.353991
  H       0.436327     -0.262602      6.879069
  H       1.563393      1.097894      6.647212
  H      -2.712299     -0.204884      8.700711
  H      -1.627113     -0.903194      7.491843
  H      -1.799385      2.010665      8.422775
  H      -0.499563      0.866919      8.851902
  C      -3.380424      3.884447      6.691643
  C      -3.847697      5.251047      6.180334
  O      -4.975139      5.154715      5.280172
  C      -4.753877      5.168519      3.951522
  O      -3.651565      5.210167      3.424250
  C      -6.067701      5.158208      3.212303
  N      -7.071056      4.539931      3.828058
  C      -8.249081      4.467984      3.166748
  N      -8.531757      4.961223      1.972292
  C      -7.522051      5.623617      1.337173
  C      -7.770625      6.170010      0.054594
  C      -6.772396      6.842078     -0.616187
  C      -5.498215      7.007492     -0.026188
  C      -5.222564      6.487031      1.221771
  C      -6.220060      5.767234      1.928905
  C      -1.319649     -1.217956      4.413935
  C      -1.793913     -1.543522      2.971357
  O      -2.296424     -0.446978      2.184277
  C      -3.330316      0.309156      2.655072
  O      -3.691308      0.205735      3.890950
  C      -3.966622      1.191033      1.714341
  N      -5.136548      1.726374      2.173517
  C      -5.838003      2.486921      1.331679
  N      -5.509424      2.890753      0.103816
  C      -4.291447      2.455972     -0.350634
  C      -3.847999      2.929268     -1.607920
  C      -2.634950      2.520331     -2.136212
  C      -1.830545      1.618994     -1.418010
  C      -2.237970      1.140870     -0.177503
  C      -3.464804      1.547413      0.398231
  C      -4.327908     -0.389009      6.701893
  C      -5.310193     -0.056230      7.820847
  O      -5.853992      1.285967      7.740161
  C      -6.930752      1.416804      6.929114
  O      -7.393767      0.500589      6.270226
  C      -7.495751      2.815019      6.973823
  N      -6.737989      3.738733      7.554888
  C      -7.220224      5.001527      7.595841
  N      -8.379419      5.436337      7.139088
  C      -9.180337      4.502535      6.548764
  C     -10.437849      4.917660      6.046039
  C     -11.281576      4.005479      5.449338
  C     -10.895518      2.650464      5.331000
  C      -9.672321      2.214897      5.801464
  C      -8.781075      3.126819      6.427017
  H      -3.040458      4.029963      7.738495
  H      -4.250797      3.214935      6.755041
  H      -3.032130      5.795322      5.683741
  H      -4.230622      5.846038      7.019370
  H      -9.048069      3.932670      3.688169
  H      -8.764986      6.034324     -0.372274
  H      -6.963929      7.253772     -1.608757
  H      -4.722633      7.552853     -0.566479
  H      -4.241102      6.625022      1.668230
  H      -2.116345     -1.505127      5.115018
  H      -0.447530     -1.860373      4.627486
  H      -2.559709     -2.334694      3.012616
  H      -0.953831     -1.905614      2.364457
  H      -6.813949      2.817831      1.702188
  H      -4.501687      3.627123     -2.134555
  H      -2.305818      2.893526     -3.108028
  H      -0.878365      1.286042     -1.835720
  H      -1.602214      0.439174      0.356763
  H      -4.832225     -0.289320      5.733149
  H      -4.091654     -1.466917      6.833501
  H      -6.141638     -0.774638      7.789785
  H      -4.834769     -0.092826      8.810253
  H      -6.568768      5.741866      8.071566
  H     -10.703553      5.970361      6.149671
  H     -12.248554      4.328135      5.059651
  H     -11.569551      1.939106      4.850934
  H      -9.373953      1.175949      5.691860
  N      -1.597462      2.688034      3.175692
  H      -1.263686      2.077596      2.425732
  H      -0.866635      3.383995      3.341638
  H      -2.390702      3.211638      2.795537
99
Coordinates from ORCA-job orca E -6652.981604330186
  N      -2.326229      3.294025      5.895375
  Mo     -2.370329      1.449592      5.162237
  N      -3.095597      0.389595      6.661401
  C      -2.195969      0.014162      7.762045
  C      -1.238587      1.148889      8.079649
  N      -0.513873      1.619799      6.875459
  C      -0.121688      3.044836      6.973997
  C      -1.024598      3.919111      6.068638
  C       0.559285      0.713526      6.424112
  C       0.436957      0.534857      4.900823
  N      -0.942736      0.202813      4.609986
  H      -0.530168      4.054300      5.094347
  H      -1.119334      4.929230      6.506408
  H       0.930885      3.157361      6.676968
  H      -0.197065      3.368395      8.024144
  H       1.133075     -0.244319      4.543739
  H       0.710999      1.481878      4.403125
  H       0.422239     -0.262754      6.911688
  H       1.552294      1.099240      6.711821
  H      -2.745438     -0.223966      8.690993
  H      -1.637330     -0.908861      7.494359
  H      -1.830267      1.998941      8.445778
  H      -0.530291      0.856108      8.878187
  C      -3.391085      3.885941      6.698620
  C      -3.855690      5.258986      6.202054
  O      -4.973160      5.169618      5.291189
  C      -4.737121      5.198797      3.965054
  O      -3.629572      5.261718      3.451346
  C      -6.042973      5.170730      3.214495
  N      -7.053726      4.567882      3.834852
  C      -8.228339      4.488242      3.168254
  N      -8.498859      4.955182      1.960075
  C      -7.480996      5.599674      1.318542
  C      -7.716926      6.119392      0.022320
  C      -6.710974      6.775375     -0.653565
  C      -5.440654      6.947912     -0.056978
  C      -5.176639      6.451002      1.202882
  C      -6.183082      5.751441      1.917347
  C      -1.283931     -1.199698      4.386414
  C      -1.756731     -1.504874      2.939288
  O      -2.263960     -0.400641      2.165124
  C      -3.303712      0.347210      2.634594
  O      -3.650646      0.257110      3.875826
  C      -3.946460      1.216946      1.689444
  N      -5.115984      1.752147      2.149699
  C      -5.834117      2.483575      1.296008
  N      -5.525301      2.857856      0.053916
  C      -4.306399      2.428643     -0.402557
  C      -3.882601      2.876266     -1.675995
  C      -2.667783      2.473185     -2.204895
  C      -1.842200      1.604380     -1.471235
  C      -2.231471      1.150316     -0.215746
  C      -3.460696      1.550093      0.360302
  C      -4.329310     -0.395643      6.665168
  C      -5.315275     -0.064362      7.781395
  O      -5.864293      1.276497      7.687945
  C      -6.962137      1.405621      6.905422
  O      -7.451410      0.487210      6.268514
  C      -7.525642      2.805143      6.973184
  N      -6.756142      3.713398      7.561252
  C      -7.234722      4.975667      7.644243
  N      -8.403386      5.421777      7.225478
  C      -9.217618      4.504758      6.628713
  C     -10.488544      4.934173      6.172355
  C     -11.347809      4.039684      5.571840
  C     -10.963390      2.689616      5.399989
  C      -9.728508      2.240212      5.825256
  C      -8.821113      3.132570      6.457371
  H      -3.055203      4.016097      7.748950
  H      -4.264295      3.217617      6.745404
  H      -3.035960      5.808769      5.718166
  H      -4.247886      5.844065      7.044170
  H      -9.033098      3.966201      3.694110
  H      -8.708054      5.978036     -0.410439
  H      -6.892913      7.167323     -1.656041
  H      -4.658377      7.478494     -0.602595
  H      -4.197392      6.587633      1.655299
  H      -2.079084     -1.503320      5.083110
  H      -0.409719     -1.843540      4.586712
  H      -2.517494     -2.301692      2.966437
  H      -0.913230     -1.852257      2.328233
  H      -6.809252      2.810536      1.667438
  H      -4.552109      3.549038     -2.215604
  H      -2.353177      2.826748     -3.188985
  H      -0.887555      1.277878     -1.888758
  H      -1.579152      0.473948      0.330152
  H      -4.829323     -0.284044      5.695280
  H      -4.096825     -1.475696      6.785506
  H      -6.141058     -0.788692      7.753644
  H      -4.840488     -0.089828      8.771535
  H      -6.572662      5.702730      8.125845
  H     -10.751138      5.983195      6.314570
  H     -12.325050      4.372667      5.217866
  H     -11.649392      1.993061      4.915144
  H      -9.434061      1.205221      5.677384
  N      -1.570086      2.716338      3.152634
  H      -1.241352      2.100813      2.404433
  H      -0.838274      3.410606      3.318787
  H      -2.369599      3.238450      2.781157
99
Coordinates from ORCA-job orca E -6652.982710452464
  N      -2.338740      3.302855      5.904158
  Mo     -2.362131      1.455820      5.177353
  N      -3.083263      0.381649      6.667343
  C      -2.190019      0.006292      7.773885
  C      -1.240978      1.146474      8.096669
  N      -0.526727      1.623760      6.889117
  C      -0.136884      3.051140      6.991524
  C      -1.036750      3.928486      6.086975
  C       0.554957      0.723430      6.442500
  C       0.451925      0.556793      4.917892
  N      -0.923298      0.226585      4.601524
  H      -0.541848      4.068703      5.114498
  H      -1.134780      4.935642      6.530720
  H       0.916122      3.165174      6.696268
  H      -0.213225      3.371285      8.042565
  H       1.153709     -0.218693      4.564246
  H       0.731488      1.507487      4.430251
  H       0.415145     -0.256301      6.921797
  H       1.543117      1.110138      6.745616
  H      -2.744410     -0.237561      8.697944
  H      -1.624422     -0.912155      7.506270
  H      -1.836523      1.991050      8.468809
  H      -0.526862      0.855027      8.890188
  C      -3.402370      3.876943      6.722564
  C      -3.873802      5.254565      6.244014
  O      -4.983232      5.167133      5.323106
  C      -4.735765      5.210522      3.998752
  O      -3.622978      5.283051      3.497850
  C      -6.034441      5.187592      3.233505
  N      -7.064308      4.616296      3.853624
  C      -8.234806      4.552954      3.179003
  N      -8.484905      5.004613      1.961148
  C      -7.447829      5.615169      1.317876
  C      -7.663923      6.121827      0.013112
  C      -6.641339      6.750903     -0.662990
  C      -5.372347      6.905883     -0.059045
  C      -5.126583      6.418399      1.208126
  C      -6.151789      5.749102      1.925094
  C      -1.261847     -1.175723      4.369088
  C      -1.747234     -1.469087      2.923274
  O      -2.264666     -0.361468      2.160074
  C      -3.306985      0.378464      2.634873
  O      -3.635718      0.295270      3.882408
  C      -3.961499      1.241388      1.695807
  N      -5.116064      1.794048      2.175607
  C      -5.850162      2.513478      1.325908
  N      -5.574122      2.856069      0.067392
  C      -4.368725      2.412251     -0.411215
  C      -3.978154      2.827215     -1.706145
  C      -2.775515      2.414143     -2.254285
  C      -1.928779      1.567895     -1.518729
  C      -2.286906      1.143164     -0.244050
  C      -3.504590      1.550986      0.350357
  C      -4.316393     -0.404868      6.665330
  C      -5.298329     -0.076264      7.785822
  O      -5.849295      1.263007      7.685132
  C      -6.960881      1.383550      6.923644
  O      -7.451438      0.464680      6.289052
  C      -7.519868      2.786868      6.981641
  N      -6.761472      3.692494      7.586479
  C      -7.242391      4.954335      7.667879
  N      -8.404718      5.400314      7.233392
  C      -9.206240      4.486022      6.616543
  C     -10.468444      4.916821      6.137361
  C     -11.311328      4.026215      5.509031
  C     -10.919052      2.678822      5.331645
  C      -9.694164      2.227615      5.781887
  C      -8.803843      3.116274      6.442018
  H      -3.064041      3.992405      7.773661
  H      -4.273358      3.205643      6.758410
  H      -3.054762      5.817004      5.773925
  H      -4.276097      5.825286      7.091389
  H      -9.055972      4.058050      3.704692
  H      -8.654315      5.993943     -0.425243
  H      -6.808664      7.134503     -1.671109
  H      -4.576049      7.414549     -0.605123
  H      -4.148271      6.538846      1.666243
  H      -2.047458     -1.491529      5.071619
  H      -0.382864     -1.817888      4.552479
  H      -2.504264     -2.269573      2.948386
  H      -0.906908     -1.807090      2.302719
  H      -6.813039      2.855514      1.715225
  H      -4.662666      3.483186     -2.247179
  H      -2.486360      2.743281     -3.254472
  H      -0.982415      1.235549     -1.950119
  H      -1.619029      0.482663      0.302487
  H      -4.819639     -0.281724      5.698253
  H      -4.085683     -1.486294      6.773075
  H      -6.122090     -0.803436      7.764661
  H      -4.819879     -0.093360      8.773946
  H      -6.588928      5.679924      8.162738
  H     -10.735817      5.964170      6.282189
  H     -12.281263      4.359945      5.136463
  H     -11.591594      1.985926      4.823451
  H      -9.392846      1.194505      5.630521
  N      -1.578438      2.742662      3.148196
  H      -1.265304      2.125715      2.394840
  H      -0.841842      3.433191      3.305894
  H      -2.384620      3.266295      2.796336
99
Coordinates from ORCA-job orca E -6652.983629156441
  N      -2.344058      3.306662      5.910701
  Mo     -2.350084      1.454990      5.196722
  N      -3.064550      0.370005      6.680541
  C      -2.178589     -0.000105      7.793639
  C      -1.237630      1.146621      8.113438
  N      -0.537626      1.624549      6.897383
  C      -0.145878      3.053982      7.001284
  C      -1.041855      3.932294      6.095978
  C       0.552550      0.728437      6.459029
  C       0.468313      0.572068      4.934469
  N      -0.901561      0.242409      4.598544
  H      -0.546020      4.069564      5.124589
  H      -1.140375      4.939331      6.538914
  H       0.907327      3.167192      6.706786
  H      -0.222066      3.371193      8.052869
  H       1.174353     -0.200522      4.583944
  H       0.752296      1.525536      4.455174
  H       0.408479     -0.253845      6.930761
  H       1.534588      1.117214      6.778617
  H      -2.738512     -0.243185      8.713620
  H      -1.607691     -0.916105      7.531366
  H      -1.835772      1.987270      8.489504
  H      -0.514226      0.860843      8.899905
  C      -3.404045      3.866709      6.742669
  C      -3.881869      5.248408      6.281324
  O      -4.984141      5.166086      5.350871
  C      -4.726335      5.230350      4.029118
  O      -3.608394      5.312123      3.541210
  C      -6.017440      5.217711      3.247468
  N      -7.066640      4.676498      3.862086
  C      -8.230604      4.631914      3.176444
  N      -8.459377      5.075932      1.952185
  C      -7.402359      5.652974      1.311933
  C      -7.596570      6.150231      0.000299
  C      -6.556118      6.750826     -0.673325
  C      -5.289042      6.883170     -0.060141
  C      -5.063996      6.403037      1.213575
  C      -6.109281      5.764437      1.929944
  C      -1.238629     -1.158088      4.357596
  C      -1.735189     -1.440599      2.913037
  O      -2.261455     -0.330460      2.158785
  C      -3.308336      0.399677      2.637478
  O      -3.622166      0.320312      3.890370
  C      -3.980143      1.251769      1.706027
  N      -5.123188      1.814329      2.205827
  C      -5.877386      2.519364      1.362926
  N      -5.636719      2.835104      0.090596
  C      -4.442493      2.384690     -0.410792
  C      -4.087763      2.773665     -1.723909
  C      -2.895443      2.359952     -2.292595
  C      -2.022058      1.539732     -1.559024
  C      -2.345571      1.139124     -0.267839
  C      -3.554138      1.544542      0.346069
  C      -4.299736     -0.413284      6.672948
  C      -5.287175     -0.070442      7.784546
  O      -5.825777      1.270917      7.662379
  C      -6.940633      1.383783      6.908304
  O      -7.444143      0.454064      6.300692
  C      -7.512435      2.783072      6.971390
  N      -6.772131      3.695020      7.589064
  C      -7.272896      4.948638      7.677579
  N      -8.441120      5.378423      7.243570
  C      -9.222393      4.457584      6.610615
  C     -10.487485      4.871933      6.124744
  C     -11.303834      3.977054      5.468156
  C     -10.881807      2.641729      5.269494
  C      -9.655846      2.205753      5.730546
  C      -8.793932      3.098704      6.420328
  H      -3.060781      3.969389      7.793011
  H      -4.272549      3.193473      6.771276
  H      -3.063963      5.824511      5.826525
  H      -4.294273      5.803210      7.134410
  H      -9.069614      4.164391      3.698373
  H      -8.585719      6.038501     -0.444753
  H      -6.707182      7.128975     -1.685799
  H      -4.477454      7.369319     -0.603876
  H      -4.087341      6.506594      1.678408
  H      -2.015158     -1.484768      5.065748
  H      -0.354962     -1.797551      4.526522
  H      -2.489816     -2.243259      2.936497
  H      -0.897895     -1.771071      2.284660
  H      -6.827750      2.875449      1.772375
  H      -4.790492      3.411908     -2.261979
  H      -2.634191      2.669737     -3.306345
  H      -1.081666      1.209668     -2.004539
  H      -1.656963      0.498668      0.276865
  H      -4.797370     -0.284562      5.703314
  H      -4.075864     -1.495700      6.779745
  H      -6.116421     -0.792047      7.766629
  H      -4.816066     -0.076564      8.775672
  H      -6.631713      5.681161      8.177853
  H     -10.775856      5.911653      6.282538
  H     -12.274916      4.298466      5.088286
  H     -11.532523      1.946334      4.737138
  H      -9.331155      1.181501      5.565094
  N      -1.589392      2.757985      3.142234
  H      -1.292938      2.138151      2.385219
  H      -0.847465      3.445056      3.286619
  H      -2.401846      3.282432      2.809561
99
Coordinates from ORCA-job orca E -6652.984344076874
  N      -2.350721      3.311209      5.925973
  Mo     -2.342318      1.455306      5.223393
  N      -3.043663      0.356013      6.701322
  C      -2.161527     -0.005911      7.818772
  C      -1.230078      1.149560      8.132029
  N      -0.548260      1.629342      6.904565
  C      -0.153101      3.061385      7.011097
  C      -1.048627      3.938696      6.106222
  C       0.551716      0.738821      6.472425
  C       0.480801      0.594280      4.948023
  N      -0.884811      0.261629      4.600475
  H      -0.554275      4.068655      5.133272
  H      -1.146057      4.947642      6.544436
  H       0.899559      3.173956      6.714906
  H      -0.227247      3.374584      8.063713
  H       1.191348     -0.173555      4.596426
  H       0.764739      1.551939      4.476985
  H       0.405281     -0.247118      6.935069
  H       1.527185      1.130878      6.807266
  H      -2.725416     -0.247550      8.736231
  H      -1.584924     -0.919552      7.562372
  H      -1.832024      1.984964      8.513188
  H      -0.493799      0.872194      8.908880
  C      -3.407954      3.863977      6.766100
  C      -3.889576      5.247541      6.314866
  O      -4.981099      5.169242      5.371101
  C      -4.710828      5.253487      4.053500
  O      -3.588150      5.345448      3.578448
  C      -5.993976      5.250351      3.256740
  N      -7.058508      4.737778      3.867724
  C      -8.216592      4.705929      3.172551
  N      -8.427170      5.139609      1.941481
  C      -7.353454      5.684800      1.302395
  C      -7.528800      6.166977     -0.017534
  C      -6.472581      6.736266     -0.692717
  C      -5.206958      6.849580     -0.072467
  C      -5.000068      6.383721      1.209579
  C      -6.063015      5.778335      1.929447
  C      -1.217798     -1.136661      4.345360
  C      -1.723560     -1.404459      2.901249
  O      -2.258479     -0.289094      2.160429
  C      -3.312252      0.425859      2.646009
  O      -3.614177      0.343070      3.902942
  C      -4.007140      1.264804      1.722183
  N      -5.146083      1.824347      2.237888
  C      -5.925283      2.507445      1.400416
  N      -5.719198      2.799795      0.116643
  C      -4.530442      2.355245     -0.403179
  C      -4.211761      2.722138     -1.731650
  C      -3.025453      2.317448     -2.318494
  C      -2.121062      1.529292     -1.587035
  C      -2.409463      1.150226     -0.281427
  C      -3.612518      1.544427      0.349760
  C      -4.275258     -0.433455      6.686591
  C      -5.271350     -0.086404      7.789939
  O      -5.817307      1.250107      7.654250
  C      -6.944758      1.350259      6.917953
  O      -7.441963      0.416230      6.311018
  C      -7.513649      2.751569      6.969823
  N      -6.787153      3.657543      7.613405
  C      -7.290597      4.909067      7.706997
  N      -8.453634      5.341197      7.261165
  C      -9.219603      4.428188      6.597755
  C     -10.476479      4.847068      6.094939
  C     -11.273330      3.964163      5.398981
  C     -10.839361      2.636656      5.177899
  C      -9.623229      2.194872      5.659539
  C      -8.782529      3.074412      6.391430
  H      -3.061501      3.959610      7.815759
  H      -4.275382      3.190097      6.790479
  H      -3.071156      5.835653      5.876966
  H      -4.316036      5.788329      7.170162
  H      -9.070543      4.263808      3.692443
  H      -8.517107      6.068025     -0.467254
  H      -6.609208      7.103714     -1.711043
  H      -4.381478      7.310675     -0.617003
  H      -4.024370      6.473858      1.678583
  H      -1.985665     -1.477829      5.056663
  H      -0.328317     -1.772043      4.499082
  H      -2.476042     -2.209088      2.920309
  H      -0.888867     -1.725216      2.264630
  H      -6.867711      2.866791      1.826189
  H      -4.936417      3.338267     -2.266179
  H      -2.792337      2.610260     -3.343934
  H      -1.183405      1.208842     -2.044879
  H      -1.696441      0.535562      0.261949
  H      -4.766408     -0.304860      5.713356
  H      -4.048615     -1.514603      6.794656
  H      -6.096671     -0.812366      7.777610
  H      -4.803594     -0.077985      8.782686
  H      -6.656999      5.637041      8.223677
  H     -10.772743      5.882012      6.268594
  H     -12.237095      4.289858      5.004462
  H     -11.473182      1.951800      4.612561
  H      -9.290615      1.176205      5.480231
  N      -1.614208      2.780443      3.142958
  H      -1.336902      2.160003      2.379650
  H      -0.865959      3.463441      3.272161
  H      -2.433321      3.307805      2.833070
99
Coordinates from ORCA-job orca E -6652.985055096137
  N      -2.350499      3.312312      5.941961
  Mo     -2.328674      1.454336      5.245196
  N      -3.027824      0.344098      6.713763
  C      -2.152864     -0.011576      7.838492
  C      -1.227035      1.148932      8.149339
  N      -0.555074      1.632067      6.914608
  C      -0.157044      3.066510      7.029884
  C      -1.050397      3.944159      6.124467
  C       0.554778      0.746104      6.488241
  C       0.497524      0.613243      4.963137
  N      -0.864602      0.277401      4.603730
  H      -0.553167      4.071539      5.152408
  H      -1.150312      4.953916      6.560379
  H       0.896871      3.179102      6.738282
  H      -0.234765      3.372065      8.084357
  H       1.212984     -0.150000      4.610865
  H       0.782252      1.575039      4.500713
  H       0.404162     -0.243906      6.940753
  H       1.523634      1.139573      6.840004
  H      -2.724230     -0.248892      8.752645
  H      -1.573737     -0.926253      7.591539
  H      -1.831884      1.981051      8.533090
  H      -0.482652      0.877873      8.920366
  C      -3.409310      3.857331      6.785915
  C      -3.897953      5.238183      6.339109
  O      -4.979773      5.157852      5.384628
  C      -4.697186      5.256825      4.071943
  O      -3.570516      5.359008      3.608541
  C      -5.973096      5.267327      3.262614
  N      -7.052257      4.782995      3.869252
  C      -8.204961      4.766390      3.164492
  N      -8.396466      5.192507      1.927341
  C      -7.305979      5.707165      1.291347
  C      -7.460526      6.177351     -0.035794
  C      -6.386714      6.713380     -0.710112
  C      -5.123232      6.804188     -0.081036
  C      -4.936783      6.350290      1.208374
  C      -6.018834      5.779478      1.928170
  C      -1.193950     -1.117895      4.327599
  C      -1.704975     -1.366862      2.882536
  O      -2.246259     -0.244461      2.156507
  C      -3.306989      0.454503      2.647316
  O      -3.594436      0.370239      3.910251
  C      -4.024776      1.280661      1.731360
  N      -5.157381      1.838742      2.263760
  C      -5.960497      2.501817      1.433442
  N      -5.788734      2.771711      0.139385
  C      -4.606492      2.332084     -0.399264
  C      -4.322740      2.678272     -1.741228
  C      -3.143802      2.280714     -2.347057
  C      -2.210958      1.520875     -1.620838
  C      -2.465336      1.161788     -0.302711
  C      -3.661125      1.547657      0.347179
  C      -4.260157     -0.445096      6.691022
  C      -5.264364     -0.088681      7.782833
  O      -5.807473      1.247456      7.630563
  C      -6.944503      1.339537      6.905999
  O      -7.452300      0.395354      6.323046
  C      -7.515962      2.739315      6.954395
  N      -6.798732      3.644186      7.611512
  C      -7.311361      4.890777      7.715469
  N      -8.479235      5.317797      7.276025
  C      -9.233990      4.407600      6.594990
  C     -10.493807      4.822096      6.096014
  C     -11.278212      3.944704      5.378555
  C     -10.827309      2.627831      5.131001
  C      -9.609084      2.189260      5.611329
  C      -8.782714      3.061621      6.368032
  H      -3.061931      3.952181      7.835510
  H      -4.273159      3.178239      6.810307
  H      -3.081089      5.837873      5.914208
  H      -4.338544      5.767720      7.194289
  H      -9.072499      4.346732      3.680723
  H      -8.447724      6.094289     -0.491390
  H      -6.506953      7.071153     -1.734032
  H      -4.282553      7.238531     -0.624564
  H      -3.962519      6.423912      1.683693
  H      -1.955958     -1.475098      5.037788
  H      -0.300100     -1.750713      4.467808
  H      -2.455767     -2.173170      2.893957
  H      -0.871843     -1.677568      2.238910
  H      -6.895529      2.862218      1.874763
  H      -5.067763      3.274493     -2.270559
  H      -2.938251      2.557496     -3.382865
  H      -1.277580      1.207355     -2.092210
  H      -1.730413      0.569815      0.236543
  H      -4.741673     -0.319737      5.712330
  H      -4.034544     -1.525490      6.805984
  H      -6.090897     -0.812755      7.772377
  H      -4.802557     -0.072053      8.778902
  H      -6.683955      5.617985      8.241183
  H     -10.802120      5.850260      6.288785
  H     -12.243908      4.267802      4.986301
  H     -11.449607      1.948437      4.546399
  H      -9.265346      1.177737      5.415043
  N      -1.609054      2.807806      3.142003
  H      -1.348103      2.188380      2.372346
  H      -0.852799      3.483401      3.263058
  H      -2.429579      3.344077      2.850006
99
Coordinates from ORCA-job orca E -6652.985685795976
  N      -2.355221      3.310436      5.960306
  Mo     -2.322232      1.450944      5.268320
  N      -3.013848      0.330650      6.729651
  C      -2.143812     -0.014302      7.861154
  C      -1.222988      1.152470      8.163311
  N      -0.563018      1.636290      6.918851
  C      -0.161146      3.072385      7.040598
  C      -1.057279      3.947612      6.136698
  C       0.555978      0.753894      6.498515
  C       0.507032      0.631352      4.972859
  N      -0.853382      0.291027      4.609690
  H      -0.562650      4.069738      5.162295
  H      -1.157370      4.959177      6.568239
  H       0.892891      3.184720      6.750058
  H      -0.240197      3.372213      8.096451
  H       1.226445     -0.127009      4.617728
  H       0.789749      1.597196      4.517337
  H       0.401364     -0.239866      6.941424
  H       1.518812      1.148168      6.864510
  H      -2.721283     -0.241988      8.774364
  H      -1.563627     -0.931971      7.627654
  H      -1.831043      1.982111      8.547430
  H      -0.469078      0.890928      8.927859
  C      -3.414181      3.850287      6.808115
  C      -3.910412      5.229354      6.367400
  O      -4.980764      5.150722      5.399575
  C      -4.683531      5.272025      4.093017
  O      -3.550660      5.374146      3.644183
  C      -5.948903      5.290448      3.266513
  N      -7.042353      4.834312      3.868315
  C      -8.188992      4.829420      3.153117
  N      -8.361019      5.244877      1.909358
  C      -7.254850      5.728866      1.276709
  C      -7.389283      6.182357     -0.058714
  C      -6.298656      6.681814     -0.733745
  C      -5.038125      6.753047     -0.096081
  C      -4.871481      6.317271      1.202277
  C      -5.971376      5.782993      1.923758
  C      -1.175154     -1.100298      4.308584
  C      -1.687372     -1.327246      2.860219
  O      -2.235052     -0.194522      2.154016
  C      -3.305792      0.480213      2.654284
  O      -3.587824      0.382819      3.916572
  C      -4.051937      1.291744      1.746143
  N      -5.184042      1.832920      2.294261
  C      -6.015527      2.473332      1.473726
  N      -5.875030      2.729541      0.172879
  C      -4.694729      2.307613     -0.383289
  C      -4.444909      2.641703     -1.735115
  C      -3.269071      2.262481     -2.358273
  C      -2.304891      1.534098     -1.639928
  C      -2.525933      1.186898     -0.312833
  C      -3.718223      1.553858      0.354254
  C      -4.244831     -0.460999      6.703311
  C      -5.255669     -0.095944      7.784917
  O      -5.794203      1.239906      7.619434
  C      -6.937677      1.329800      6.900422
  O      -7.453155      0.380334      6.331553
  C      -7.509500      2.725915      6.948794
  N      -6.808617      3.626808      7.631264
  C      -7.332750      4.866860      7.746114
  N      -8.500327      5.291113      7.300662
  C      -9.235104      4.386960      6.589289
  C     -10.490957      4.798062      6.078424
  C     -11.253028      3.928423      5.326925
  C     -10.781310      2.624042      5.054974
  C      -9.566717      2.188054      5.547971
  C      -8.766011      3.050652      6.341975
  H      -3.064161      3.946703      7.857003
  H      -4.274859      3.166260      6.835385
  H      -3.095111      5.841451      5.957406
  H      -4.365787      5.745264      7.223352
  H      -9.068527      4.430878      3.665534
  H      -8.375099      6.113541     -0.519739
  H      -6.402667      7.025308     -1.764343
  H      -4.183037      7.157853     -0.640037
  H      -3.898843      6.377118      1.682633
  H      -1.933600     -1.475128      5.013607
  H      -0.276851     -1.729661      4.436863
  H      -2.436097     -2.135450      2.860055
  H      -0.854617     -1.624519      2.209851
  H      -6.946120      2.825432      1.930898
  H      -5.213144      3.214325     -2.257426
  H      -3.089915      2.529172     -3.401593
  H      -1.373273      1.235902     -2.124537
  H      -1.767220      0.620139      0.220523
  H      -4.718264     -0.344793      5.719547
  H      -4.017026     -1.539376      6.831108
  H      -6.083591     -0.818080      7.775351
  H      -4.797839     -0.074496      8.783333
  H      -6.717452      5.591253      8.290065
  H     -10.814808      5.817912      6.289279
  H     -12.215708      4.249712      4.925826
  H     -11.383762      1.952253      4.441471
  H      -9.207887      1.184603      5.335732
  N      -1.621089      2.829966      3.143070
  H      -1.377523      2.213093      2.365587
  H      -0.856611      3.498334      3.253504
  H      -2.441793      3.375644      2.869694
99
Coordinates from ORCA-job orca E -6652.986224017232
  N      -2.350478      3.310717      5.977589
  Mo     -2.312557      1.451466      5.288785
  N      -3.001001      0.327374      6.743834
  C      -2.134614     -0.008816      7.881000
  C      -1.212986      1.159837      8.172606
  N      -0.561400      1.640682      6.919808
  C      -0.153702      3.076515      7.044055
  C      -1.054102      3.951014      6.145516
  C       0.559638      0.756619      6.501514
  C       0.514305      0.642031      4.975422
  N      -0.846936      0.303479      4.612171
  H      -0.566481      4.071596      5.167416
  H      -1.152211      4.963129      6.576196
  H       0.899979      3.186026      6.751769
  H      -0.230602      3.373144      8.100860
  H       1.233521     -0.115222      4.617639
  H       0.798396      1.609657      4.524330
  H       0.397536     -0.239257      6.937011
  H       1.520401      1.146167      6.877051
  H      -2.715564     -0.223511      8.795429
  H      -1.557688     -0.931949      7.661233
  H      -1.820267      1.990642      8.555477
  H      -0.452531      0.904669      8.932433
  C      -3.406729      3.845967      6.831658
  C      -3.914723      5.220356      6.394016
  O      -4.976836      5.136370      5.417522
  C      -4.667856      5.269773      4.115771
  O      -3.530863      5.387878      3.680600
  C      -5.924387      5.303487      3.276310
  N      -7.032174      4.875619      3.872554
  C      -8.172876      4.885057      3.147235
  N      -8.324564      5.289904      1.897244
  C      -7.202370      5.741710      1.268957
  C      -7.314206      6.176992     -0.074815
  C      -6.205894      6.639409     -0.747626
  C      -4.950181      6.693002     -0.098664
  C      -4.805737      6.276175      1.208451
  C      -5.923991      5.778338      1.927633
  C      -1.166185     -1.082819      4.289359
  C      -1.682178     -1.288937      2.839008
  O      -2.235118     -0.145787      2.151793
  C      -3.313135      0.507802      2.662263
  O      -3.584508      0.401058      3.924731
  C      -4.084360      1.307615      1.762213
  N      -5.212446      1.836730      2.326150
  C      -6.067129      2.461236      1.516440
  N      -5.953369      2.707041      0.210689
  C      -4.776955      2.298164     -0.362497
  C      -4.555933      2.623057     -1.721821
  C      -3.384202      2.257762     -2.360704
  C      -2.395428      1.553058     -1.651949
  C      -2.588319      1.213936     -0.318498
  C      -3.776038      1.566704      0.364604
  C      -4.230964     -0.465740      6.714927
  C      -5.248811     -0.094414      7.786965
  O      -5.787001      1.239246      7.608033
  C      -6.939110      1.320794      6.897483
  O      -7.459379      0.362805      6.346992
  C      -7.512240      2.713199      6.934928
  N      -6.825085      3.616431      7.630420
  C      -7.359827      4.851249      7.745658
  N      -8.527457      5.269397      7.292781
  C      -9.246006      4.364686      6.565704
  C     -10.500740      4.767705      6.046339
  C     -11.246122      3.897987      5.277772
  C     -10.756104      2.603113      4.994021
  C      -9.541807      2.174772      5.495290
  C      -8.761177      3.035144      6.311033
  H      -3.050544      3.948688      7.878244
  H      -4.262047      3.155297      6.868390
  H      -3.103445      5.843299      5.992353
  H      -4.381804      5.726005      7.249767
  H      -9.063777      4.508669      3.656630
  H      -8.297227      6.122404     -0.543640
  H      -6.291892      6.967231     -1.784980
  H      -4.080658      7.068232     -0.640954
  H      -3.836697      6.323482      1.697582
  H      -1.922444     -1.470253      4.990022
  H      -0.266628     -1.712596      4.406359
  H      -2.430268     -2.097592      2.829811
  H      -0.851753     -1.575659      2.181056
  H      -6.992575      2.806280      1.988417
  H      -5.342669      3.176619     -2.236991
  H      -3.227078      2.516985     -3.409464
  H      -1.467076      1.266117     -2.149464
  H      -1.811434      0.665474      0.207341
  H      -4.696384     -0.361229      5.726163
  H      -4.000474     -1.542021      6.857298
  H      -6.075641     -0.817789      7.777362
  H      -4.795642     -0.068088      8.787520
  H      -6.755760      5.577652      8.299401
  H     -10.837969      5.781630      6.264656
  H     -12.208158      4.213633      4.870741
  H     -11.343121      1.932557      4.364450
  H      -9.169869      1.177669      5.275243
  N      -1.619197      2.852063      3.145049
  H      -1.396507      2.238454      2.358750
  H      -0.843500      3.508923      3.246631
  H      -2.436007      3.412698      2.889764
99
Coordinates from ORCA-job orca E -6652.986724405920
  N      -2.354205      3.309321      5.996620
  Mo     -2.306232      1.451720      5.309633
  N      -2.989637      0.323165      6.758248
  C      -2.124480     -0.005479      7.899358
  C      -1.202685      1.164879      8.181536
  N      -0.560304      1.645509      6.922219
  C      -0.151857      3.081987      7.047465
  C      -1.060549      3.955796      6.157776
  C       0.561720      0.761868      6.501733
  C       0.518320      0.655983      4.975219
  N      -0.844115      0.319067      4.612028
  H      -0.582782      4.081857      5.175819
  H      -1.159708      4.966216      6.592489
  H       0.900517      3.191907      6.750748
  H      -0.224411      3.375866      8.105379
  H       1.237641     -0.099536      4.614376
  H       0.802713      1.625658      4.528475
  H       0.394006     -0.236287      6.929837
  H       1.521753      1.146420      6.884178
  H      -2.705826     -0.209496      8.816122
  H      -1.550195     -0.932640      7.690310
  H      -1.809305      1.995888      8.564985
  H      -0.436229      0.914546      8.936735
  C      -3.409909      3.834519      6.857232
  C      -3.926391      5.208655      6.430149
  O      -4.974548      5.127244      5.437463
  C      -4.648019      5.283805      4.142123
  O      -3.503769      5.402218      3.725327
  C      -5.891743      5.320045      3.282868
  N      -7.014532      4.924959      3.874516
  C      -8.147993      4.942546      3.137721
  N      -8.278613      5.324662      1.878591
  C      -7.141299      5.739824      1.253043
  C      -7.231495      6.145207     -0.101783
  C      -6.107953      6.569866     -0.773915
  C      -4.858444      6.616858     -0.112983
  C      -4.734669      6.229146      1.205270
  C      -5.868758      5.767499      1.924469
  C      -1.159777     -1.062946      4.268185
  C      -1.680603     -1.248095      2.816384
  O      -2.241954     -0.094873      2.150452
  C      -3.327837      0.535490      2.672913
  O      -3.583154      0.421221      3.936431
  C      -4.125048      1.325313      1.784405
  N      -5.251236      1.834635      2.367025
  C      -6.133386      2.440347      1.571616
  N      -6.048558      2.680167      0.262547
  C      -4.874686      2.293229     -0.330446
  C      -4.686759      2.613515     -1.696008
  C      -3.518100      2.271737     -2.353320
  C      -2.499967      1.595490     -1.658559
  C      -2.660664      1.258897     -0.320133
  C      -3.844415      1.587918      0.381954
  C      -4.216604     -0.474564      6.729903
  C      -5.239385     -0.099534      7.795695
  O      -5.775500      1.232826      7.607742
  C      -6.933388      1.308224      6.903104
  O      -7.455288      0.344436      6.364477
  C      -7.507626      2.697884      6.930514
  N      -6.839670      3.600125      7.647286
  C      -7.383279      4.830825      7.760478
  N      -8.544734      5.246380      7.288255
  C      -9.241712      4.344444      6.537537
  C     -10.488591      4.743820      5.996829
  C     -11.210553      3.877793      5.202024
  C     -10.702706      2.591532      4.910405
  C      -9.495892      2.166406      5.432457
  C      -8.741912      3.020896      6.278836
  H      -3.051011      3.936071      7.903336
  H      -4.260565      3.138165      6.895220
  H      -3.116220      5.844591      6.046919
  H      -4.409339      5.697770      7.286656
  H      -9.050398      4.594878      3.647065
  H      -8.210845      6.097821     -0.579067
  H      -6.177066      6.873553     -1.819927
  H      -3.976700      6.962922     -0.655054
  H      -3.770742      6.273443      1.703759
  H      -1.913319     -1.463749      4.964505
  H      -0.258875     -1.692837      4.372711
  H      -2.425988     -2.059040      2.797482
  H      -0.852481     -1.521107      2.149799
  H      -7.055071      2.771691      2.060625
  H      -5.496299      3.142826     -2.201246
  H      -3.385940      2.527388     -3.406506
  H      -1.574378      1.327395     -2.171677
  H      -1.862108      0.731556      0.194388
  H      -4.677390     -0.381871      5.737935
  H      -3.981571     -1.548598      6.884709
  H      -6.065577     -0.823772      7.784122
  H      -4.790077     -0.071892      8.797865
  H      -6.795554      5.556515      8.332593
  H     -10.838605      5.752459      6.219701
  H     -12.166578      4.191131      4.779177
  H     -11.269109      1.925037      4.257967
  H      -9.110964      1.175654      5.206290
  N      -1.620517      2.877263      3.149344
  H      -1.421494      2.269108      2.352638
  H      -0.833372      3.521757      3.242239
  H      -2.432994      3.452938      2.915687
99
Coordinates from ORCA-job orca E -6652.987234728996
  N      -2.364219      3.308545      6.012593
  Mo     -2.304934      1.452878      5.325744
  N      -2.980820      0.320223      6.769349
  C      -2.115182     -0.001358      7.913211
  C      -1.192959      1.170940      8.186124
  N      -0.560062      1.651322      6.921370
  C      -0.152891      3.088463      7.043297
  C      -1.072759      3.962060      6.165614
  C       0.561514      0.768773      6.497252
  C       0.518563      0.670203      4.970634
  N      -0.845715      0.335503      4.608380
  H      -0.608778      4.097135      5.178753
  H      -1.173015      4.969180      6.607796
  H       0.896603      3.199961      6.737151
  H      -0.216586      3.382427      8.101820
  H       1.237551     -0.083944      4.607086
  H       0.802608      1.641533      4.527170
  H       0.389866     -0.231145      6.919337
  H       1.522262      1.148489      6.883049
  H      -2.694866     -0.196129      8.832998
  H      -1.542961     -0.931227      7.712036
  H      -1.798588      2.001802      8.571260
  H      -0.421413      0.923660      8.937003
  C      -3.420098      3.824546      6.877998
  C      -3.949891      5.195571      6.456189
  O      -4.984366      5.110487      5.449107
  C      -4.641568      5.287060      4.159914
  O      -3.491966      5.425999      3.763875
  C      -5.871679      5.325895      3.281637
  N      -7.009985      4.960699      3.863794
  C      -8.133598      4.989371      3.112535
  N      -8.240727      5.352345      1.845839
  C      -7.087633      5.732206      1.228198
  C      -7.152123      6.111080     -0.135719
  C      -6.011820      6.500378     -0.800827
  C      -4.770936      6.539292     -0.123646
  C      -4.672150      6.177307      1.204034
  C      -5.823773      5.749612      1.916337
  C      -1.156097     -1.042522      4.243496
  C      -1.678733     -1.207040      2.789596
  O      -2.250459     -0.045098      2.146037
  C      -3.344837      0.560822      2.681604
  O      -3.586476      0.438851      3.944220
  C      -4.165426      1.337156      1.800133
  N      -5.294195      1.825865      2.392520
  C      -6.195809      2.413976      1.604249
  N      -6.127351      2.648997      0.293703
  C      -4.952186      2.283185     -0.309608
  C      -4.782868      2.602613     -1.677918
  C      -3.611704      2.284324     -2.342608
  C      -2.573281      1.633415     -1.654070
  C      -2.715540      1.296997     -0.313594
  C      -3.901024      1.602340      0.396016
  C      -4.202487     -0.485501      6.742594
  C      -5.230948     -0.107935      7.803059
  O      -5.765490      1.222909      7.608836
  C      -6.927358      1.297387      6.909575
  O      -7.451472      0.332953      6.374402
  C      -7.502296      2.685202      6.939004
  N      -6.852182      3.579956      7.682286
  C      -7.403622      4.805834      7.804428
  N      -8.558631      5.223060      7.317245
  C      -9.235797      4.330565      6.538391
  C     -10.475518      4.730899      5.981752
  C     -11.175149      3.875024      5.156698
  C     -10.651101      2.599067      4.848654
  C      -9.451985      2.172468      5.386636
  C      -8.722621      3.014766      6.265887
  H      -3.059069      3.929653      7.923136
  H      -4.264614      3.121358      6.917362
  H      -3.143047      5.844650      6.088347
  H      -4.449459      5.669778      7.311400
  H      -9.048529      4.671092      3.618625
  H      -8.125481      6.071544     -0.625504
  H      -6.060938      6.782477     -1.853946
  H      -3.876059      6.858352     -0.660618
  H      -3.715840      6.217599      1.716700
  H      -1.908375     -1.456809      4.933362
  H      -0.253900     -1.671939      4.336890
  H      -2.419216     -2.021975      2.758566
  H      -0.851252     -1.462557      2.115463
  H      -7.115729      2.735516      2.103166
  H      -5.607570      3.111279     -2.179293
  H      -3.492781      2.539470     -3.397453
  H      -1.646303      1.384858     -2.174355
  H      -1.901601      0.788683      0.196329
  H      -4.660233     -0.403739      5.748394
  H      -3.962137     -1.556909      6.908301
  H      -6.055351     -0.834284      7.788359
  H      -4.785838     -0.078637      8.806807
  H      -6.831213      5.525882      8.398730
  H     -10.837296      5.732665      6.216166
  H     -12.125681      4.189301      4.722400
  H     -11.198622      1.941598      4.171496
  H      -9.055534      1.189172      5.148114
  N      -1.629948      2.900708      3.153668
  H      -1.456806      2.299525      2.345904
  H      -0.830725      3.531367      3.237650
  H      -2.437233      3.492515      2.943950
99
Coordinates from ORCA-job orca E -6652.987814234909
  N      -2.374951      3.309177      6.028083
  Mo     -2.305335      1.455112      5.341792
  N      -2.970790      0.319411      6.783676
  C      -2.101673      0.005319      7.927961
  C      -1.178418      1.179650      8.189900
  N      -0.556602      1.658676      6.919482
  C      -0.152264      3.096698      7.034432
  C      -1.086038      3.971229      6.172853
  C       0.562559      0.777825      6.488223
  C       0.516273      0.683534      4.961959
  N      -0.850469      0.350947      4.603818
  H      -0.637338      4.120510      5.181473
  H      -1.188743      4.973042      6.626405
  H       0.892645      3.210855      6.713572
  H      -0.201315      3.391401      8.093657
  H       1.233652     -0.070535      4.595720
  H       0.799422      1.655386      4.519105
  H       0.390013     -0.223187      6.907056
  H       1.525670      1.154140      6.872354
  H      -2.677102     -0.181978      8.851902
  H      -1.530747     -0.926025      7.731328
  H      -1.781514      2.010795      8.578291
  H      -0.401457      0.934197      8.935877
  C      -3.430175      3.814572      6.899491
  C      -3.972925      5.183020      6.485106
  O      -4.993471      5.096052      5.464172
  C      -4.635143      5.297058      4.182335
  O      -3.481421      5.458293      3.807058
  C      -5.852179      5.337620      3.286483
  N      -7.004522      5.003265      3.859654
  C      -8.118342      5.043591      3.095155
  N      -8.203617      5.386207      1.821351
  C      -7.035867      5.729748      1.210937
  C      -7.076399      6.083308     -0.160723
  C      -5.920779      6.437301     -0.818821
  C      -4.687548      6.465308     -0.127125
  C      -4.612092      6.128131      1.208573
  C      -5.780460      5.736182      1.914522
  C      -1.158930     -1.023973      4.224237
  C      -1.686171     -1.173214      2.770868
  O      -2.269650     -0.006735      2.145256
  C      -3.369181      0.581916      2.692464
  O      -3.591499      0.461587      3.957547
  C      -4.209212      1.345872      1.818406
  N      -5.336898      1.821797      2.422808
  C      -6.254575      2.397645      1.643443
  N      -6.204560      2.625780      0.331528
  C      -5.031758      2.274639     -0.284680
  C      -4.882546      2.593949     -1.655277
  C      -3.712794      2.294367     -2.330900
  C      -2.656303      1.663340     -1.651850
  C      -2.778631      1.326901     -0.309433
  C      -3.962203      1.612624      0.411266
  C      -4.185556     -0.496703      6.760103
  C      -5.220291     -0.119737      7.815745
  O      -5.756516      1.208684      7.615148
  C      -6.919060      1.280607      6.917781
  O      -7.443108      0.315718      6.383524
  C      -7.495383      2.668469      6.945598
  N      -6.867750      3.556077      7.716838
  C      -7.426992      4.778031      7.841207
  N      -8.571074      5.196774      7.329654
  C      -9.223838      4.312732      6.521391
  C     -10.451591      4.714270      5.938902
  C     -11.124216      3.866885      5.083470
  C     -10.584421      2.598883      4.769174
  C      -9.397923      2.170757      5.332579
  C      -8.697710      3.003171      6.244199
  H      -3.066511      3.920773      7.943548
  H      -4.268731      3.104871      6.938119
  H      -3.169815      5.846246      6.134957
  H      -4.489577      5.640092      7.339395
  H      -9.045058      4.755417      3.598188
  H      -8.043987      6.052440     -0.662213
  H      -5.951488      6.698579     -1.877971
  H      -3.780480      6.756633     -0.659342
  H      -3.662630      6.161945      1.734320
  H      -1.908771     -1.447828      4.910886
  H      -0.255893     -1.653360      4.307398
  H      -2.421133     -1.992749      2.731829
  H      -0.860172     -1.413265      2.089310
  H      -7.170167      2.715440      2.153371
  H      -5.719891      3.088857     -2.149223
  H      -3.608245      2.550145     -3.387100
  H      -1.730557      1.430933     -2.181672
  H      -1.950749      0.833770      0.192820
  H      -4.642614     -0.423981      5.764767
  H      -3.938008     -1.565193      6.932766
  H      -6.041409     -0.849764      7.797050
  H      -4.780584     -0.087263      8.821683
  H      -6.873507      5.493157      8.458914
  H     -10.825059      5.710588      6.178090
  H     -12.065500      4.182014      4.630010
  H     -11.109682      1.948919      4.067609
  H      -8.990363      1.193043      5.089650
  N      -1.640791      2.923954      3.160578
  H      -1.495550      2.330741      2.341770
  H      -0.829119      3.539481      3.235070
  H      -2.442269      3.532287      2.976964
99
Coordinates from ORCA-job orca E -6652.988335359519
  N      -2.390090      3.308696      6.043720
  Mo     -2.308921      1.457224      5.355851
  N      -2.962578      0.318555      6.796611
  C      -2.088412      0.012347      7.940396
  C      -1.164257      1.188950      8.191384
  N      -0.553227      1.667302      6.916324
  C      -0.154542      3.106382      7.022870
  C      -1.104478      3.981151      6.179577
  C       0.562795      0.789234      6.476208
  C       0.511308      0.698535      4.950411
  N      -0.858228      0.366890      4.598686
  H      -0.673229      4.147260      5.183703
  H      -1.210347      4.976537      6.646388
  H       0.884784      3.225099      6.685477
  H      -0.187590      3.402681      8.082440
  H       1.227153     -0.055064      4.580990
  H       0.792054      1.670992      4.507463
  H       0.390878     -0.212834      6.892424
  H       1.529066      1.162694      6.856325
  H      -2.658072     -0.168016      8.869199
  H      -1.518402     -0.919936      7.747172
  H      -1.764924      2.020134      8.583351
  H      -0.382524      0.944689      8.932968
  C      -3.445371      3.801855      6.920781
  C      -4.004081      5.166324      6.513017
  O      -5.010275      5.075270      5.478442
  C      -4.636733      5.301040      4.204527
  O      -3.480012      5.489082      3.851516
  C      -5.839732      5.340134      3.290603
  N      -7.005534      5.034707      3.852745
  C      -8.108272      5.085396      3.073697
  N      -8.171115      5.406853      1.793257
  C      -6.989303      5.715145      1.192202
  C      -7.004833      6.042525     -0.186499
  C      -5.834128      6.362305     -0.835168
  C      -4.609796      6.381334     -0.127324
  C      -4.558800      6.070245      1.215833
  C      -5.743733      5.712993      1.912859
  C      -1.162980     -1.005232      4.204486
  C      -1.693099     -1.139713      2.751362
  O      -2.289517      0.030575      2.144406
  C      -3.394960      0.599995      2.704121
  O      -3.600010      0.479037      3.970256
  C      -4.254127      1.351390      1.836957
  N      -5.382833      1.810158      2.452171
  C      -6.315208      2.375263      1.681693
  N      -6.280153      2.601524      0.369868
  C      -5.108216      2.268939     -0.257755
  C      -4.976061      2.594655     -1.628464
  C      -3.805995      2.318425     -2.313279
  C      -2.732933      1.705700     -1.644119
  C      -2.838140      1.363166     -0.301777
  C      -4.021506      1.624479      0.428335
  C      -4.168974     -0.509882      6.777423
  C      -5.210059     -0.135117      7.829198
  O      -5.747862      1.191227      7.624963
  C      -6.909528      1.263826      6.927772
  O      -7.434397      0.300917      6.390991
  C      -7.484287      2.653355      6.955721
  N      -6.878706      3.530740      7.756266
  C      -7.441716      4.750640      7.882190
  N      -8.570571      5.176022      7.342590
  C      -9.199426      4.303626      6.503840
  C     -10.410729      4.712020      5.891450
  C     -11.056884      3.875815      5.005539
  C     -10.506796      2.612546      4.689206
  C      -9.337454      2.177554      5.281578
  C      -8.665510      2.997730      6.224892
  H      -3.079430      3.910624      7.963675
  H      -4.276501      3.084207      6.958485
  H      -3.206319      5.844735      6.180449
  H      -4.538610      5.605266      7.365685
  H      -9.046380      4.827352      3.572589
  H      -7.965500      6.018620     -0.701260
  H      -5.845666      6.601735     -1.899833
  H      -3.690828      6.645779     -0.653080
  H      -3.617299      6.099332      1.756252
  H      -1.911137     -1.438841      4.886684
  H      -0.258833     -1.633826      4.278547
  H      -2.421320     -1.964695      2.703138
  H      -0.867808     -1.362377      2.063112
  H      -7.227825      2.686851      2.201580
  H      -5.824968      3.077305     -2.114631
  H      -3.713208      2.580056     -3.369135
  H      -1.807226      1.493326     -2.182320
  H      -1.997264      0.884210      0.192404
  H      -4.626353     -0.446597      5.781469
  H      -3.913102     -1.575117      6.956601
  H      -6.027474     -0.869210      7.805025
  H      -4.775843     -0.101131      8.837359
  H      -6.907018      5.458192      8.524719
  H     -10.791984      5.704864      6.132748
  H     -11.985560      4.195983      4.530053
  H     -11.010486      1.971859      3.963713
  H      -8.922888      1.203164      5.036983
  N      -1.654083      2.946526      3.169509
  H      -1.536884      2.363407      2.339330
  H      -0.829996      3.546139      3.235223
  H      -2.448185      3.572046      3.012245
99
Coordinates from ORCA-job orca E -6652.988662130044
  N      -2.393918      3.310432      6.055634
  Mo     -2.309882      1.461597      5.363435
  N      -2.959655      0.318895      6.801123
  C      -2.084240      0.013299      7.944559
  C      -1.158533      1.189496      8.193101
  N      -0.551705      1.669454      6.916645
  C      -0.153490      3.108549      7.023451
  C      -1.109079      3.985815      6.188874
  C       0.562807      0.792554      6.471625
  C       0.509431      0.707809      4.945726
  N      -0.861429      0.377958      4.596050
  H      -0.684146      4.159156      5.191673
  H      -1.215219      4.978179      6.661975
  H       0.883700      3.228801      6.679953
  H      -0.180173      3.402945      8.083785
  H       1.224209     -0.044882      4.572660
  H       0.789706      1.681731      4.505723
  H       0.389936     -0.211017      6.883700
  H       1.530242      1.163173      6.851916
  H      -2.652468     -0.164797      8.874702
  H      -1.515700     -0.919873      7.751772
  H      -1.757434      2.020501      8.588128
  H      -0.374714      0.943791      8.932068
  C      -3.450046      3.800031      6.932997
  C      -4.012647      5.162582      6.524150
  O      -5.008727      5.065959      5.480146
  C      -4.625451      5.290023      4.208582
  O      -3.466165      5.479455      3.864671
  C      -5.821950      5.329651      3.286290
  N      -6.995556      5.055768      3.848394
  C      -8.094013      5.113299      3.064262
  N      -8.146077      5.411468      1.777790
  C      -6.956262      5.684049      1.175561
  C      -6.960393      5.982364     -0.209855
  C      -5.781285      6.264004     -0.860742
  C      -4.559177      6.272629     -0.148883
  C      -4.519158      5.990407      1.201087
  C      -5.713594      5.672695      1.901387
  C      -1.165271     -0.990925      4.189597
  C      -1.695445     -1.112469      2.735495
  O      -2.296733      0.062361      2.141850
  C      -3.405110      0.619747      2.709487
  O      -3.604638      0.491724      3.974658
  C      -4.274786      1.368379      1.849877
  N      -5.404273      1.811730      2.474545
  C      -6.346515      2.373572      1.713747
  N      -6.321325      2.607820      0.403572
  C      -5.149929      2.291668     -0.233218
  C      -5.029414      2.630232     -1.601710
  C      -3.860114      2.372841     -2.295063
  C      -2.776456      1.766986     -1.636843
  C      -2.869932      1.412252     -0.296747
  C      -4.052201      1.653917      0.441913
  C      -4.163190     -0.513721      6.780793
  C      -5.208742     -0.140711      7.829358
  O      -5.747383      1.184907      7.624398
  C      -6.908884      1.258403      6.927161
  O      -7.433644      0.296751      6.388005
  C      -7.484735      2.647707      6.958993
  N      -6.889941      3.519171      7.774332
  C      -7.457143      4.736480      7.905467
  N      -8.581073      5.164180      7.357126
  C      -9.198238      4.298524      6.502968
  C     -10.404087      4.709221      5.881091
  C     -11.037998      3.879542      4.980367
  C     -10.480661      2.620993      4.657773
  C      -9.316927      2.183684      5.259185
  C      -8.658197      2.996480      6.218030
  H      -3.084647      3.910449      7.975896
  H      -4.279376      3.080439      6.969631
  H      -3.215725      5.846183      6.200437
  H      -4.557536      5.596165      7.372978
  H      -9.038503      4.883650      3.565316
  H      -7.919426      5.966260     -0.727915
  H      -5.784218      6.479825     -1.930514
  H      -3.633227      6.506272     -0.677006
  H      -3.579271      6.012002      1.744676
  H      -1.913599     -1.430963      4.867358
  H      -0.260982     -1.619867      4.258148
  H      -2.421128     -1.939145      2.679081
  H      -0.870022     -1.324807      2.044144
  H      -7.257965      2.675291      2.241786
  H      -5.886046      3.108451     -2.078790
  H      -3.775763      2.644669     -3.349064
  H      -1.851405      1.570228     -2.182091
  H      -2.020749      0.939233      0.188712
  H      -4.618765     -0.452840      5.783791
  H      -3.904687     -1.577860      6.962009
  H      -6.024542     -0.876442      7.800915
  H      -4.778302     -0.107240      8.839208
  H      -6.931279      5.439697      8.559990
  H     -10.790937      5.698668      6.127481
  H     -11.962619      4.201414      4.498097
  H     -10.974279      1.985874      3.920540
  H      -8.897396      1.212505      5.010085
  N      -1.658853      2.964242      3.178050
  H      -1.557446      2.387921      2.341073
  H      -0.827085      3.553602      3.239632
  H      -2.447093      3.600602      3.035646
99
Coordinates from ORCA-job orca E -6652.989076652899
  N      -2.398885      3.312919      6.068088
  Mo     -2.311594      1.467580      5.369963
  N      -2.956761      0.323145      6.805853
  C      -2.078510      0.019594      7.948484
  C      -1.148766      1.194342      8.191544
  N      -0.546854      1.673930      6.913118
  C      -0.149748      3.112604      7.016546
  C      -1.115189      3.992975      6.196525
  C       0.563518      0.797156      6.460966
  C       0.505666      0.717066      4.935204
  N      -0.867862      0.390365      4.590965
  H      -0.701633      4.178953      5.197156
  H      -1.221752      4.979961      6.680504
  H       0.883431      3.234741      6.661631
  H      -0.164597      3.406469      8.077353
  H       1.217669     -0.036059      4.558341
  H       0.785712      1.691600      4.496522
  H       0.389162     -0.207414      6.869750
  H       1.533856      1.163440      6.838667
  H      -2.643595     -0.153264      8.881502
  H      -1.513147     -0.915560      7.756966
  H      -1.743804      2.026574      8.589730
  H      -0.363011      0.946048      8.927706
  C      -3.454466      3.795918      6.948693
  C      -4.025432      5.156118      6.543092
  O      -5.010827      5.056079      5.489524
  C      -4.617683      5.293223      4.222965
  O      -3.456414      5.495670      3.892950
  C      -5.804794      5.330943      3.289406
  N      -6.988237      5.090060      3.846588
  C      -8.078963      5.157508      3.053271
  N      -8.115707      5.433371      1.761379
  C      -6.915945      5.667086      1.163048
  C      -6.903002      5.936246     -0.228262
  C      -5.712979      6.176330     -0.875782
  C      -4.496075      6.171039     -0.155064
  C      -4.472700      5.918174      1.201115
  C      -5.679384      5.643648      1.898745
  C      -1.171435     -0.974490      4.170480
  C      -1.700718     -1.080711      2.715275
  O      -2.308754      0.099037      2.138202
  C      -3.420889      0.641566      2.715869
  O      -3.612611      0.507213      3.979862
  C      -4.302752      1.383515      1.862319
  N      -5.433685      1.812840      2.493821
  C      -6.385646      2.367158      1.739215
  N      -6.369830      2.601283      0.429397
  C      -5.198558      2.299752     -0.214464
  C      -5.089224      2.642899     -1.582674
  C      -3.919551      2.402956     -2.281547
  C      -2.824914      1.810541     -1.629707
  C      -2.907284      1.451055     -0.290167
  C      -4.089335      1.675140      0.454223
  C      -4.155588     -0.516031      6.786870
  C      -5.205712     -0.145864      7.832835
  O      -5.746455      1.178104      7.627000
  C      -6.908654      1.250203      6.931987
  O      -7.432202      0.289383      6.390581
  C      -7.486865      2.639237      6.965281
  N      -6.907150      3.505503      7.796982
  C      -7.480668      4.719511      7.930736
  N      -8.597532      5.147982      7.368594
  C      -9.198692      4.288118      6.497822
  C     -10.397190      4.699102      5.861587
  C     -11.014556      3.874002      4.945612
  C     -10.447803      2.620028      4.620973
  C      -9.291799      2.182381      5.236142
  C      -8.650383      2.990165      6.210709
  H      -3.087319      3.907873      7.990756
  H      -4.280050      3.072446      6.984861
  H      -3.231445      5.848583      6.231400
  H      -4.582110      5.578807      7.389654
  H      -9.031222      4.958718      3.552971
  H      -7.858003      5.930153     -0.753774
  H      -5.703047      6.367861     -1.950100
  H      -3.561252      6.370831     -0.681391
  H      -3.537280      5.930601      1.752791
  H      -1.921295     -1.420668      4.842319
  H      -0.267972     -1.604954      4.233556
  H      -2.422485     -1.910012      2.648377
  H      -0.874774     -1.279340      2.020501
  H      -7.295362      2.663865      2.273821
  H      -5.953633      3.111598     -2.054755
  H      -3.843012      2.678914     -3.335064
  H      -1.900000      1.628133     -2.180135
  H      -2.049811      0.987615      0.189916
  H      -4.610822     -0.460133      5.789295
  H      -3.892230     -1.578170      6.971685
  H      -6.018767     -0.884530      7.799564
  H      -4.779283     -0.112682      8.844331
  H      -6.968011      5.419124      8.599370
  H     -10.791507      5.685094      6.109908
  H     -11.933784      4.195824      4.453090
  H     -10.928171      1.988820      3.871770
  H      -8.865596      1.214433      4.985434
  N      -1.661974      2.983809      3.185841
  H      -1.586908      2.417431      2.339443
  H      -0.816789      3.554480      3.240233
  H      -2.438463      3.639190      3.065388
99
Coordinates from ORCA-job orca E -6652.989917123723
  N      -2.391053      3.320368      6.094077
  Mo     -2.300069      1.472706      5.387175
  N      -2.941030      0.317638      6.825477
  C      -2.073972      0.008193      7.968633
  C      -1.154837      1.187475      8.219577
  N      -0.551292      1.676292      6.942470
  C      -0.149826      3.119147      7.065911
  C      -1.112648      4.001294      6.242290
  C       0.572371      0.801885      6.488870
  C       0.515217      0.726063      4.959031
  N      -0.854341      0.391964      4.601078
  H      -0.678366      4.193253      5.250757
  H      -1.233516      4.985521      6.728542
  H       0.884802      3.245241      6.717909
  H      -0.167712      3.397694      8.131028
  H       1.231700     -0.022948      4.579532
  H       0.793908      1.703806      4.525934
  H       0.403969     -0.207460      6.891146
  H       1.536365      1.172173      6.875416
  H      -2.649976     -0.175139      8.893971
  H      -1.501988     -0.924101      7.775447
  H      -1.755496      2.015051      8.619770
  H      -0.367139      0.943986      8.954363
  C      -3.450607      3.807987      6.967828
  C      -3.985587      5.174256      6.554923
  O      -4.942035      5.080326      5.476713
  C      -4.525059      5.298690      4.214572
  O      -3.356864      5.467908      3.887538
  C      -5.715244      5.356406      3.281541
  N      -6.886351      5.140275      3.867583
  C      -7.997275      5.211403      3.103554
  N      -8.062285      5.482499      1.812241
  C      -6.872878      5.699409      1.181464
  C      -6.899257      5.964829     -0.209957
  C      -5.727521      6.189482     -0.894802
  C      -4.489811      6.166961     -0.210261
  C      -4.426097      5.913317      1.144789
  C      -5.614371      5.659403      1.883640
  C      -1.176077     -0.967489      4.171279
  C      -1.715902     -1.063172      2.716991
  O      -2.332137      0.109892      2.130669
  C      -3.433130      0.668126      2.701307
  O      -3.560356      0.585242      3.985601
  C      -4.319710      1.398652      1.868753
  N      -5.438226      1.842134      2.518996
  C      -6.400434      2.391717      1.777439
  N      -6.412963      2.612937      0.461500
  C      -5.250929      2.299797     -0.197996
  C      -5.160436      2.625511     -1.572206
  C      -4.004572      2.370461     -2.290569
  C      -2.901670      1.777346     -1.649539
  C      -2.966434      1.436816     -0.303897
  C      -4.133874      1.677302      0.455924
  C      -4.142108     -0.517810      6.785335
  C      -5.199751     -0.146519      7.813416
  O      -5.734459      1.180604      7.591205
  C      -6.890613      1.241931      6.880013
  O      -7.406055      0.269379      6.349204
  C      -7.479410      2.622110      6.903356
  N      -6.902974      3.491682      7.733029
  C      -7.490155      4.698856      7.871161
  N      -8.621542      5.114580      7.327193
  C      -9.220312      4.248415      6.458599
  C     -10.436476      4.641674      5.849160
  C     -11.054500      3.814539      4.932994
  C     -10.465425      2.579787      4.579328
  C      -9.288264      2.158665      5.170064
  C      -8.651215      2.963747      6.151275
  H      -3.095867      3.908671      8.015537
  H      -4.288877      3.094326      6.991787
  H      -3.175046      5.856429      6.261055
  H      -4.555138      5.607486      7.390673
  H      -8.937528      5.017684      3.622868
  H      -7.871518      5.970324     -0.704217
  H      -5.747426      6.380774     -1.969331
  H      -3.567909      6.351686     -0.764884
  H      -3.472861      5.908639      1.663312
  H      -1.924098     -1.411873      4.847769
  H      -0.275664     -1.604848      4.230629
  H      -2.439032     -1.893190      2.656582
  H      -0.892969     -1.267456      2.019542
  H      -7.300840      2.688961      2.325198
  H      -6.030529      3.096563     -2.031494
  H      -3.946271      2.633342     -3.348819
  H      -1.985901      1.579502     -2.210442
  H      -2.104215      0.973442      0.170195
  H      -4.588496     -0.456453      5.784488
  H      -3.876620     -1.580176      6.966456
  H      -6.020419     -0.876366      7.775697
  H      -4.784108     -0.112390      8.830127
  H      -6.975359      5.400460      8.536479
  H     -10.845660      5.616786      6.116770
  H     -11.988320      4.123560      4.459808
  H     -10.944781      1.950765      3.827655
  H      -8.844986      1.203102      4.901450
  N      -1.672652      2.995667      3.194245
  H      -1.604796      2.422304      2.349389
  H      -0.829760      3.567671      3.239272
  H      -2.454189      3.648317      3.082469
99
Coordinates from ORCA-job orca E -6652.990410315992
  N      -2.397175      3.322443      6.109277
  Mo     -2.300583      1.479095      5.393420
  N      -2.937221      0.317806      6.827311
  C      -2.069627      0.008229      7.970199
  C      -1.149850      1.187553      8.220813
  N      -0.549864      1.680208      6.943499
  C      -0.150447      3.123342      7.069225
  C      -1.120975      4.008319      6.257271
  C       0.573519      0.808768      6.484123
  C       0.514798      0.740433      4.953947
  N      -0.855634      0.406928      4.597200
  H      -0.693159      4.212068      5.265348
  H      -1.244589      4.987226      6.753312
  H       0.881300      3.253027      6.714019
  H      -0.160615      3.397997      8.135520
  H       1.230931     -0.006651      4.570255
  H       0.792238      1.720297      4.524851
  H       0.405333     -0.202808      6.880836
  H       1.538101      1.176825      6.871540
  H      -2.645040     -0.174395      8.896094
  H      -1.498290     -0.924321      7.776574
  H      -1.749385      2.014019      8.624925
  H      -0.360495      0.942014      8.953161
  C      -3.457837      3.802939      6.985087
  C      -3.999495      5.166721      6.573733
  O      -4.945667      5.067698      5.487293
  C      -4.520362      5.291493      4.228844
  O      -3.350388      5.467906      3.911507
  C      -5.703955      5.349198      3.288035
  N      -6.881960      5.170809      3.873208
  C      -7.987991      5.253185      3.103794
  N      -8.042471      5.501566      1.807370
  C      -6.845922      5.675297      1.176558
  C      -6.861086      5.910003     -0.220537
  C      -5.681769      6.085955     -0.906533
  C      -4.446946      6.043462     -0.217720
  C      -4.394051      5.820860      1.143245
  C      -5.591010      5.618322      1.884092
  C      -1.175905     -0.948221      4.152520
  C      -1.713892     -1.028787      2.696922
  O      -2.336681      0.148149      2.125339
  C      -3.441533      0.692745      2.703440
  O      -3.561404      0.603579      3.987555
  C      -4.338157      1.417708      1.877660
  N      -5.456991      1.849520      2.535418
  C      -6.428489      2.391746      1.800726
  N      -6.451839      2.611994      0.484939
  C      -5.290819      2.311519     -0.182152
  C      -5.212678      2.639290     -1.556543
  C      -4.057992      2.399128     -2.281942
  C      -2.944047      1.819340     -1.647887
  C      -2.996774      1.476417     -0.302272
  C      -4.162652      1.701606      0.464478
  C      -4.134744     -0.522336      6.782889
  C      -5.198078     -0.154932      7.806734
  O      -5.732843      1.172209      7.585073
  C      -6.887856      1.236599      6.872730
  O      -7.404266      0.266540      6.338461
  C      -7.476019      2.617458      6.901228
  N      -6.910549      3.477860      7.747832
  C      -7.500831      4.682722      7.893005
  N      -8.626216      5.103341      7.340315
  C      -9.213163      4.247110      6.454175
  C     -10.422843      4.645584      5.835135
  C     -11.028627      3.828262      4.902243
  C     -10.433283      2.598779      4.540602
  C      -9.262830      2.172398      5.140578
  C      -8.638886      2.966706      6.138872
  H      -3.102696      3.904290      8.032591
  H      -4.292909      3.085529      7.007649
  H      -3.191648      5.856217      6.289729
  H      -4.579536      5.591998      7.406413
  H      -8.933955      5.092472      3.624093
  H      -7.831354      5.929635     -0.718335
  H      -5.693381      6.251748     -1.985411
  H      -3.518747      6.187819     -0.773845
  H      -3.442965      5.801133      1.665532
  H      -1.924941     -1.399919      4.822942
  H      -0.275298     -1.585748      4.206842
  H      -2.432743     -1.861745      2.625797
  H      -0.889553     -1.219758      1.997326
  H      -7.326516      2.684113      2.355229
  H      -6.090761      3.101069     -2.009883
  H      -4.008881      2.664002     -3.340185
  H      -2.029230      1.633669     -2.214525
  H      -2.126305      1.022679      0.166078
  H      -4.578364     -0.461695      5.780680
  H      -3.866085     -1.583692      6.964469
  H      -6.017342     -0.885972      7.762045
  H      -4.788015     -0.123261      8.825827
  H      -6.995350      5.377107      8.572903
  H     -10.836811      5.616866      6.109312
  H     -11.957574      4.141233      4.422051
  H     -10.902606      1.978115      3.775778
  H      -8.815324      1.220479      4.866030
  N      -1.677033      3.019097      3.204863
  H      -1.631672      2.455802      2.351722
  H      -0.823511      3.575577      3.243828
  H      -2.448482      3.687146      3.113307
99
Coordinates from ORCA-job orca E -6652.991171955839
  N      -2.401498      3.325982      6.122393
  Mo     -2.299710      1.486367      5.398713
  N      -2.932009      0.322019      6.830612
  C      -2.063773      0.014424      7.973672
  C      -1.141893      1.193408      8.221017
  N      -0.545272      1.686467      6.942667
  C      -0.147073      3.129649      7.066319
  C      -1.127436      4.017276      6.268431
  C       0.575926      0.815763      6.477974
  C       0.514622      0.751781      4.947578
  N      -0.857419      0.420287      4.593176
  H      -0.708665      4.234746      5.275656
  H      -1.253554      4.989830      6.775955
  H       0.880480      3.261838      6.700001
  H      -0.145321      3.402616      8.133191
  H       1.229001      0.004596      4.561172
  H       0.792136      1.732320      4.520123
  H       0.406850     -0.197004      6.871219
  H       1.542176      1.180698      6.864480
  H      -2.638252     -0.164764      8.900835
  H      -1.493974     -0.919257      7.781391
  H      -1.738959      2.020365      8.627694
  H      -0.351233      0.946030      8.951400
  C      -3.460989      3.797401      7.004009
  C      -4.011941      5.159173      6.599007
  O      -4.947719      5.058429      5.504298
  C      -4.514567      5.301143      4.251845
  O      -3.343542      5.494251      3.947615
  C      -5.689763      5.357937      3.301219
  N      -6.875312      5.215378      3.881532
  C      -7.974172      5.311209      3.104079
  N      -8.015580      5.540372      1.803595
  C      -6.811471      5.672631      1.176985
  C      -6.812712      5.881544     -0.224244
  C      -5.625435      6.012003     -0.906606
  C      -4.395867      5.947273     -0.210192
  C      -4.356364      5.750654      1.155177
  C      -5.562429      5.596826      1.893080
  C      -1.178684     -0.930449      4.135188
  C      -1.714523     -0.996981      2.678464
  O      -2.343893      0.182898      2.120343
  C      -3.452222      0.715965      2.705211
  O      -3.560836      0.626612      3.990137
  C      -4.358703      1.433005      1.885023
  N      -5.473471      1.863082      2.551560
  C      -6.453513      2.398945      1.823790
  N      -6.491563      2.608533      0.506718
  C      -5.335761      2.309868     -0.170344
  C      -5.273772      2.628455     -1.547669
  C      -4.123947      2.393546     -2.282493
  C      -2.998791      1.828646     -1.655097
  C      -3.035991      1.493657     -0.306890
  C      -4.196803      1.712721      0.469144
  C      -4.124662     -0.524573      6.782851
  C      -5.194636     -0.161611      7.801674
  O      -5.731261      1.164375      7.578537
  C      -6.885314      1.228182      6.865600
  O      -7.399622      0.259374      6.327442
  C      -7.476993      2.608255      6.898098
  N      -6.927965      3.460640      7.763202
  C      -7.526125      4.661016      7.914386
  N      -8.645283      5.082804      7.350142
  C      -9.214863      4.235065      6.445017
  C     -10.417993      4.634451      5.813728
  C     -11.005787      3.825150      4.862714
  C     -10.398551      2.603372      4.494326
  C      -9.234995      2.175792      5.106261
  C      -8.629885      2.961293      6.122927
  H      -3.102609      3.898011      8.050450
  H      -4.291968      3.075425      7.026009
  H      -3.208217      5.858403      6.327471
  H      -4.602671      5.572061      7.430494
  H      -8.926229      5.181828      3.622046
  H      -7.779273      5.916709     -0.728304
  H      -5.626736      6.156190     -1.988610
  H      -3.461215      6.053457     -0.764093
  H      -3.409369      5.714372      1.684251
  H      -1.929924     -1.386932      4.799799
  H      -0.279256     -1.569892      4.185756
  H      -2.428937     -1.832951      2.597184
  H      -0.888671     -1.175107      1.977223
  H      -7.345429      2.695334      2.386413
  H      -6.159523      3.080716     -1.995362
  H      -4.086902      2.652182     -3.342785
  H      -2.087707      1.647921     -2.229326
  H      -2.157398      1.049967      0.155788
  H      -4.565773     -0.466647      5.779232
  H      -3.851109     -1.584179      6.966224
  H      -6.011358     -0.895090      7.750167
  H      -4.791024     -0.130700      8.823350
  H      -7.034456      5.349460      8.610236
  H     -10.841160      5.600150      6.093547
  H     -11.929855      4.138649      4.373506
  H     -10.853480      1.989754      3.715291
  H      -8.778828      1.229425      4.826591
  N      -1.678987      3.040196      3.212448
  H      -1.665018      2.488147      2.350924
  H      -0.810878      3.574321      3.240937
  H      -2.435030      3.728943      3.145707
99
Coordinates from ORCA-job orca E -6652.991964595186
  N      -2.407104      3.329141      6.137298
  Mo     -2.299967      1.493648      5.405222
  N      -2.925845      0.325183      6.835311
  C      -2.055996      0.020190      7.977902
  C      -1.132670      1.199463      8.221425
  N      -0.540740      1.693303      6.941574
  C      -0.144060      3.136692      7.063051
  C      -1.135439      4.026421      6.280321
  C       0.578371      0.823849      6.470844
  C       0.513311      0.764453      4.940254
  N      -0.860404      0.434498      4.589145
  H      -0.726565      4.257439      5.286558
  H      -1.263871      4.992542      6.799169
  H       0.878651      3.271682      6.684364
  H      -0.129130      3.407749      8.130407
  H       1.225913      0.017488      4.550445
  H       0.790301      1.745823      4.514378
  H       0.409094     -0.190197      6.860655
  H       1.546318      1.186143      6.855864
  H      -2.628929     -0.155961      8.906634
  H      -1.487230     -0.914263      7.786647
  H      -1.727502      2.026508      8.631104
  H      -0.339895      0.950827      8.949159
  C      -3.465344      3.790980      7.025089
  C      -4.025804      5.150409      6.626233
  O      -4.950297      5.047441      5.522621
  C      -4.508874      5.310105      4.276887
  O      -3.336869      5.519312      3.986560
  C      -5.674935      5.368012      3.315811
  N      -6.867833      5.258696      3.888887
  C      -7.958302      5.367877      3.101838
  N      -7.985468      5.580072      1.798026
  C      -6.774116      5.674165      1.178415
  C      -6.760308      5.860437     -0.225930
  C      -5.565452      5.949906     -0.901656
  C      -4.342763      5.864619     -0.195425
  C      -4.317707      5.690531      1.173325
  C      -5.532378      5.580496      1.904993
  C      -1.182897     -0.911760      4.118167
  C      -1.717670     -0.964652      2.660813
  O      -2.354208      0.217776      2.116500
  C      -3.465581      0.739416      2.708835
  O      -3.562057      0.650474      3.994775
  C      -4.382485      1.448617      1.895091
  N      -5.491978      1.878913      2.571273
  C      -6.481192      2.407848      1.851044
  N      -6.535846      2.604536      0.532565
  C      -5.386735      2.305007     -0.155635
  C      -5.342831      2.610937     -1.536500
  C      -4.199542      2.378207     -2.282266
  C      -3.062792      1.828716     -1.662434
  C      -3.082518      1.505070     -0.310978
  C      -4.236551      1.721063      0.475825
  C      -4.113199     -0.528424      6.785068
  C      -5.189233     -0.169302      7.799086
  O      -5.727483      1.155435      7.573259
  C      -6.880006      1.217976      6.858758
  O      -7.392764      0.249587      6.318865
  C      -7.474213      2.597731      6.891623
  N      -6.942597      3.443337      7.773780
  C      -7.548255      4.639871      7.927375
  N      -8.660183      5.062239      7.349454
  C      -9.211216      4.221626      6.426610
  C     -10.406480      4.621270      5.780510
  C     -10.974804      3.818587      4.812386
  C     -10.355411      2.603701      4.440826
  C      -9.200024      2.175544      5.067190
  C      -8.615443      2.953749      6.101326
  H      -3.103635      3.890814      8.070462
  H      -4.292053      3.064265      7.046657
  H      -3.226469      5.859468      6.367666
  H      -4.627705      5.550720      7.455951
  H      -8.916368      5.266888      3.615094
  H      -7.722093      5.910282     -0.737816
  H      -5.555604      6.075395     -1.985920
  H      -3.402018      5.936395     -0.744543
  H      -3.375938      5.639465      1.710763
  H      -1.935672     -1.372974      4.777684
  H      -0.284500     -1.552945      4.164354
  H      -2.427340     -1.803826      2.570021
  H      -0.890751     -1.129786      1.957596
  H      -7.366009      2.709718      2.422404
  H      -6.236530      3.053298     -1.977954
  H      -4.176250      2.627776     -3.345156
  H      -2.156701      1.650589     -2.245366
  H      -2.195498      1.071853      0.145516
  H      -4.552143     -0.473974      5.780162
  H      -3.834298     -1.586059      6.970836
  H      -6.003533     -0.905096      7.741891
  H      -4.791537     -0.138274      8.823074
  H      -7.071181      5.323309      8.638188
  H     -10.839021      5.581996      6.063190
  H     -11.892925      4.132152      4.312079
  H     -10.794640      1.996094      3.648195
  H      -8.734842      1.234264      4.785005
  N      -1.685120      3.063030      3.221582
  H      -1.707317      2.524454      2.351781
  H      -0.801544      3.571904      3.236423
  H      -2.422844      3.773905      3.183208
99
Coordinates from ORCA-job orca E -6652.992802949108
  N      -2.410472      3.333031      6.151387
  Mo     -2.300039      1.501068      5.411923
  N      -2.918795      0.330018      6.841834
  C      -2.046538      0.028211      7.983499
  C      -1.120964      1.207512      8.221627
  N      -0.534194      1.700497      6.939497
  C      -0.138043      3.143872      7.056982
  C      -1.140666      4.035561      6.289906
  C       0.581739      0.831077      6.462585
  C       0.511377      0.774548      4.931901
  N      -0.864517      0.446871      4.585481
  H      -0.742557      4.279134      5.294856
  H      -1.270202      4.995524      6.819523
  H       0.879199      3.280638      6.664432
  H      -0.108240      3.414040      8.124350
  H       1.221266      0.026827      4.538895
  H       0.788268      1.756038      4.506265
  H       0.412119     -0.183667      6.850369
  H       1.552001      1.190611      6.844613
  H      -2.617289     -0.144139      8.914305
  H      -1.479232     -0.907291      7.793421
  H      -1.712798      2.035365      8.633909
  H      -0.325825      0.957763      8.946469
  C      -3.466279      3.786539      7.046058
  C      -4.035461      5.144142      6.654053
  O      -4.949848      5.040317      5.542631
  C      -4.501701      5.324427      4.303878
  O      -3.329346      5.549889      4.026648
  C      -5.659240      5.383990      3.333528
  N      -6.858408      5.305692      3.899225
  C      -7.940477      5.427610      3.102874
  N      -7.954306      5.623735      1.796273
  C      -6.736844      5.681994      1.184028
  C      -6.708908      5.846951     -0.222735
  C      -5.507616      5.898748     -0.891068
  C      -4.292135      5.795423     -0.174837
  C      -4.280652      5.642381      1.196564
  C      -5.502634      5.572260      1.920953
  C      -1.190002     -0.895075      4.103491
  C      -1.725026     -0.935817      2.646186
  O      -2.368272      0.248625      2.114637
  C      -3.481482      0.761099      2.714544
  O      -3.564511      0.674920      4.001805
  C      -4.408297      1.462704      1.907157
  N      -5.510625      1.897230      2.593466
  C      -6.508134      2.421092      1.881237
  N      -6.580351      2.603402      0.561558
  C      -5.439838      2.298326     -0.138580
  C      -5.414868      2.589343     -1.523097
  C      -4.279906      2.354352     -2.280873
  C      -3.132415      1.818298     -1.669491
  C      -3.133847      1.508271     -0.314590
  C      -4.279426      1.725317      0.484052
  C      -4.100466     -0.531013      6.789659
  C      -5.182864     -0.176173      7.798659
  O      -5.724388      1.146492      7.568880
  C      -6.873822      1.206190      6.850296
  O      -7.382362      0.237716      6.307124
  C      -7.472934      2.584706      6.882810
  N      -6.963310      3.423344      7.783965
  C      -7.579175      4.614784      7.938881
  N      -8.682503      5.036341      7.344309
  C      -9.210224      4.203028      6.401717
  C     -10.395741      4.601704      5.737134
  C     -10.939298      3.806039      4.749421
  C     -10.304279      2.599624      4.376003
  C      -9.158951      2.171979      5.020389
  C      -8.600256      2.942577      6.074297
  H      -3.100198      3.885306      8.090002
  H      -4.289320      3.055860      7.067928
  H      -3.240389      5.862231      6.407753
  H      -4.647035      5.532209      7.482560
  H      -8.903702      5.353055      3.611025
  H      -7.665650      5.910019     -0.742513
  H      -5.487345      6.006772     -1.977017
  H      -3.346346      5.835898     -0.718463
  H      -3.344343      5.578835      1.742523
  H      -1.944126     -1.359369      4.759224
  H      -0.293230     -1.538789      4.145280
  H      -2.430467     -1.777817      2.547545
  H      -0.897752     -1.089405      1.940717
  H      -7.384263      2.731703      2.461581
  H      -6.315850      3.023403     -1.957722
  H      -4.271092      2.593008     -3.346501
  H      -2.232617      1.639466     -2.261899
  H      -2.239036      1.084144      0.135111
  H      -4.537264     -0.480508      5.783459
  H      -3.815714     -1.586443      6.978083
  H      -5.993793     -0.915288      7.736320
  H      -4.791335     -0.143580      8.824951
  H      -7.120386      5.293250      8.666262
  H     -10.840323      5.556331      6.021806
  H     -11.849905      4.118786      4.235047
  H     -10.723593      1.998435      3.567878
  H      -8.681945      1.237082      4.736543
  N      -1.691652      3.083158      3.229656
  H      -1.751834      2.558353      2.353288
  H      -0.792911      3.565146      3.228383
  H      -2.408869      3.815991      3.219665
99
Coordinates from ORCA-job orca E -6652.993667799158
  N      -2.417725      3.335382      6.164414
  Mo     -2.302737      1.507580      5.416734
  N      -2.913010      0.333200      6.846656
  C      -2.037417      0.035497      7.986867
  C      -1.110737      1.215655      8.219626
  N      -0.529531      1.708351      6.935531
  C      -0.135546      3.151943      7.048889
  C      -1.150727      4.044657      6.298462
  C       0.583620      0.840150      6.452289
  C       0.507423      0.785943      4.921687
  N      -0.870309      0.459259      4.580795
  H      -0.763925      4.301646      5.302434
  H      -1.282093      4.997973      6.839189
  H       0.875536      3.291575      6.641672
  H      -0.090212      3.421078      8.116061
  H       1.215050      0.037941      4.525447
  H       0.783240      1.767632      4.495888
  H       0.415012     -0.175270      6.838608
  H       1.555999      1.198250      6.830573
  H      -2.605460     -0.133619      8.919915
  H      -1.470730     -0.900463      7.797689
  H      -1.700339      2.043728      8.634519
  H      -0.313072      0.965486      8.941658
  C      -3.472032      3.778986      7.065504
  C      -4.051736      5.134153      6.680814
  O      -4.955009      5.029444      5.560823
  C      -4.499502      5.335877      4.329977
  O      -3.326863      5.577030      4.066887
  C      -5.647554      5.399288      3.349665
  N      -6.853112      5.350547      3.905724
  C      -7.925094      5.486644      3.098367
  N      -7.923850      5.669559      1.789774
  C      -6.700221      5.693643      1.187459
  C      -6.656207      5.841040     -0.220756
  C      -5.448211      5.857437     -0.878883
  C      -4.241641      5.734843     -0.150654
  C      -4.245717      5.599273      1.222580
  C      -5.475272      5.566601      1.936567
  C      -1.197889     -0.878839      4.088974
  C      -1.732371     -0.909256      2.631658
  O      -2.382634      0.276123      2.111665
  C      -3.497999      0.779877      2.718316
  O      -3.569208      0.696765      4.006896
  C      -4.433963      1.474124      1.916392
  N      -5.529996      1.914327      2.610623
  C      -6.533335      2.435051      1.904404
  N      -6.620048      2.604004      0.583885
  C      -5.487606      2.291198     -0.125885
  C      -5.478418      2.567609     -1.513539
  C      -4.351203      2.327733     -2.281302
  C      -3.195432      1.802381     -1.676757
  C      -3.181560      1.506096     -0.318761
  C      -4.319420      1.726671      0.489767
  C      -4.089184     -0.534939      6.795179
  C      -5.175000     -0.183193      7.801970
  O      -5.718614      1.138009      7.569704
  C      -6.866142      1.195005      6.849430
  O      -7.372646      0.226167      6.305679
  C      -7.468369      2.573260      6.879257
  N      -6.977924      3.407320      7.794723
  C      -7.602195      4.595029      7.947600
  N      -8.697347      5.014956      7.337156
  C      -9.204477      4.186300      6.379481
  C     -10.380487      4.583163      5.696888
  C     -10.901308      3.791835      4.693816
  C     -10.252986      2.591548      4.322758
  C      -9.117895      2.165055      4.985091
  C      -8.582628      2.931384      6.053985
  H      -3.102120      3.876478      8.108196
  H      -4.290323      3.043272      7.086929
  H      -3.261992      5.862451      6.448073
  H      -4.674121      5.508343      7.507649
  H      -8.893791      5.437492      3.599211
  H      -7.606633      5.918398     -0.750036
  H      -5.416037      5.950840     -1.965832
  H      -3.290668      5.746155     -0.686564
  H      -3.316045      5.522473      1.778586
  H      -1.953279     -1.345888      4.741166
  H      -0.302417     -1.524504      4.127306
  H      -2.432720     -1.754720      2.525502
  H      -0.904247     -1.051235      1.924707
  H      -7.401538      2.755834      2.491480
  H      -6.384882      2.995446     -1.942740
  H      -4.354553      2.555474     -3.349354
  H      -2.301403      1.620812     -2.277013
  H      -2.280710      1.089248      0.125507
  H      -4.526027     -0.488611      5.788633
  H      -3.798664     -1.588178      6.986059
  H      -5.983711     -0.924546      7.736924
  H      -4.786840     -0.149363      8.829461
  H      -7.159630      5.270455      8.687726
  H     -10.835423      5.533290      5.980263
  H     -11.804329      4.103263      4.165454
  H     -10.654034      1.994533      3.502389
  H      -8.630610      1.234955      4.702701
  N      -1.700727      3.102617      3.237739
  H      -1.796530      2.592483      2.355919
  H      -0.788659      3.558875      3.220581
  H      -2.397455      3.855028      3.254500
99
Coordinates from ORCA-job orca E -6652.994561161207
  N      -2.422073      3.339614      6.177182
  Mo     -2.305448      1.515394      5.421609
  N      -2.906300      0.337936      6.852397
  C      -2.026767      0.044352      7.990669
  C      -1.098944      1.225509      8.217961
  N      -0.523262      1.717024      6.931525
  C      -0.130015      3.160413      7.039853
  C      -1.157098      4.054165      6.305857
  C       0.586507      0.849122      6.442268
  C       0.503403      0.795958      4.911811
  N      -0.876352      0.470990      4.577007
  H      -0.781441      4.322587      5.308664
  H      -1.288899      5.001539      6.856476
  H       0.874402      3.301503      6.616991
  H      -0.067945      3.429159      8.106355
  H       1.208099      0.046973      4.512479
  H       0.778636      1.777337      4.484986
  H       0.419121     -0.166514      6.828388
  H       1.561246      1.206089      6.815721
  H      -2.591817     -0.122351      8.925920
  H      -1.460287     -0.891672      7.801726
  H      -1.686257      2.053968      8.635163
  H      -0.298666      0.975090      8.937102
  C      -3.474010      3.776514      7.084195
  C      -4.062196      5.129720      6.705395
  O      -4.957103      5.024952      5.579275
  C      -4.496798      5.350471      4.355271
  O      -3.324386      5.604544      4.103052
  C      -5.637331      5.418372      3.367902
  N      -6.847593      5.400820      3.916405
  C      -7.910350      5.552151      3.099828
  N      -7.896150      5.722122      1.789504
  C      -6.668067      5.710826      1.195385
  C      -6.610147      5.841604     -0.213816
  C      -5.397149      5.821161     -0.862956
  C      -4.199172      5.676869     -0.124462
  C      -4.216762      5.557826      1.250087
  C      -5.451929      5.564303      1.954652
  C      -1.207296     -0.863749      4.077959
  C      -1.741845     -0.886154      2.621119
  O      -2.397784      0.299568      2.110618
  C      -3.513998      0.798217      2.723032
  O      -3.574358      0.720147      4.013104
  C      -4.457300      1.486042      1.925391
  N      -5.545075      1.936836      2.627098
  C      -6.552392      2.457068      1.926584
  N      -6.653719      2.611737      0.605482
  C      -5.531353      2.285255     -0.113867
  C      -5.538388      2.544020     -1.504858
  C      -4.421035      2.292480     -2.283194
  C      -3.258703      1.773965     -1.685823
  C      -3.229221      1.494498     -0.324415
  C      -4.357338      1.725371      0.494758
  C      -4.076448     -0.537903      6.799816
  C      -5.166986     -0.192977      7.804467
  O      -5.716965      1.125490      7.571014
  C      -6.860642      1.179494      6.845771
  O      -7.361442      0.211198      6.296450
  C      -7.469115      2.556136      6.876652
  N      -7.002244      3.382348      7.810802
  C      -7.636878      4.565012      7.963890
  N      -8.721635      4.984687      7.335512
  C      -9.203462      4.164332      6.358127
  C     -10.366491      4.562065      5.653959
  C     -10.858974      3.779646      4.630127
  C     -10.195222      2.587389      4.259866
  C      -9.073813      2.159336      4.943470
  C      -8.567449      2.916832      6.032287
  H      -3.099533      3.873442      8.125269
  H      -4.288765      3.037236      7.106543
  H      -3.276878      5.865937      6.483169
  H      -4.692449      5.492908      7.530998
  H      -8.883313      5.529477      3.594497
  H      -7.554438      5.935204     -0.751282
  H      -5.354776      5.900754     -1.950551
  H      -3.244580      5.657684     -0.653617
  H      -3.293348      5.465070      1.814729
  H      -1.963747     -1.331829      4.728074
  H      -0.313536     -1.511879      4.113300
  H      -2.437727     -1.734708      2.509313
  H      -0.913195     -1.018662      1.912903
  H      -7.411190      2.791288      2.519834
  H      -6.449209      2.968250     -1.928460
  H      -4.436968      2.506630     -3.353917
  H      -2.372021      1.584217     -2.294331
  H      -2.323665      1.082207      0.114189
  H      -4.512617     -0.493955      5.792708
  H      -3.779407     -1.589080      6.991029
  H      -5.971160     -0.938915      7.735941
  H      -4.782812     -0.157273      8.833324
  H      -7.214088      5.234807      8.720378
  H     -10.833436      5.506226      5.937648
  H     -11.751483      4.091978      4.084778
  H     -10.573465      1.998335      3.423135
  H      -8.574113      1.235894      4.660729
  N      -1.711682      3.120690      3.246005
  H      -1.841311      2.624285      2.360715
  H      -0.788026      3.552377      3.212309
  H      -2.388305      3.890451      3.287236
99
Coordinates from ORCA-job orca E -6652.995454134317
  N      -2.427596      3.340594      6.189743
  Mo     -2.307935      1.520754      5.426062
  N      -2.900498      0.339925      6.857433
  C      -2.017388      0.050564      7.993923
  C      -1.088344      1.232253      8.215639
  N      -0.518012      1.722506      6.927154
  C      -0.125699      3.165801      7.030906
  C      -1.165233      4.061080      6.314731
  C       0.588386      0.854793      6.432331
  C       0.499343      0.803365      4.902147
  N      -0.882165      0.480870      4.572635
  H      -0.800482      4.342840      5.317205
  H      -1.298076      5.001492      6.876564
  H       0.871480      3.308526      6.591776
  H      -0.045919      3.433276      8.096646
  H       1.201022      0.053306      4.499730
  H       0.774736      1.784517      4.474925
  H       0.421681     -0.161105      6.817930
  H       1.565292      1.210380      6.801698
  H      -2.579921     -0.112752      8.931270
  H      -1.451654     -0.886038      7.806034
  H      -1.673225      2.061301      8.634972
  H      -0.285521      0.981662      8.932011
  C      -3.478759      3.767282      7.102497
  C      -4.077761      5.118555      6.732916
  O      -4.962190      5.015822      5.598256
  C      -4.497330      5.369655      4.383711
  O      -3.326471      5.644554      4.146002
  C      -5.628540      5.440410      3.386624
  N      -6.844125      5.449993      3.924320
  C      -7.895861      5.611861      3.095551
  N      -7.866668      5.767031      1.783689
  C      -6.633759      5.724024      1.201054
  C      -6.560207      5.834927     -0.209009
  C      -5.341996      5.779938     -0.846494
  C      -4.154099      5.620205     -0.094993
  C      -4.186878      5.521507      1.280833
  C      -5.427921      5.564080      1.973492
  C      -1.217683     -0.849443      4.064178
  C      -1.751446     -0.861456      2.607240
  O      -2.413525      0.325053      2.107799
  C      -3.530930      0.816749      2.726843
  O      -3.579177      0.743130      4.018469
  C      -4.483319      1.499884      1.936855
  N      -5.562206      1.959247      2.648583
  C      -6.574556      2.481013      1.956625
  N      -6.691838      2.626163      0.635780
  C      -5.580381      2.288370     -0.095117
  C      -5.605024      2.534950     -1.488079
  C      -4.498784      2.273828     -2.279033
  C      -3.329758      1.758644     -1.692364
  C      -3.283174      1.490908     -0.328943
  C      -4.400131      1.730169      0.502966
  C      -4.066844     -0.540900      6.808743
  C      -5.157241     -0.196287      7.813906
  O      -5.708697      1.120634      7.576394
  C      -6.851890      1.168317      6.851603
  O      -7.352749      0.196338      6.309561
  C      -7.462015      2.545398      6.870204
  N      -7.013817      3.373782      7.811041
  C      -7.655608      4.554670      7.951782
  N      -8.730931      4.968880      7.303977
  C      -9.192235      4.145959      6.318890
  C     -10.343504      4.538087      5.592383
  C     -10.812869      3.752416      4.560400
  C     -10.137945      2.561798      4.204444
  C      -9.028931      2.138545      4.910317
  C      -8.546169      2.900451      6.006586
  H      -3.100967      3.861200      8.142642
  H      -4.288687      3.022903      7.123187
  H      -3.298626      5.865583      6.525852
  H      -4.718437      5.465769      7.557328
  H      -8.873716      5.612462      3.581068
  H      -7.497391      5.939944     -0.756700
  H      -5.288066      5.842939     -1.934614
  H      -3.195576      5.572589     -0.615215
  H      -3.270505      5.418140      1.855419
  H      -1.975866     -1.318824      4.711238
  H      -0.326226     -1.500884      4.096189
  H      -2.442030     -1.713440      2.487766
  H      -0.921662     -0.982821      1.898274
  H      -7.423703      2.826601      2.557792
  H      -6.520297      2.958103     -1.903235
  H      -4.528483      2.478468     -3.351347
  H      -2.451386      1.562123     -2.310721
  H      -2.372681      1.080977      0.101339
  H      -4.505275     -0.501264      5.802252
  H      -3.765213     -1.590163      7.002437
  H      -5.960473     -0.943433      7.747296
  H      -4.772947     -0.157400      8.842582
  H      -7.248952      5.226788      8.715048
  H     -10.819458      5.480848      5.865691
  H     -11.695852      4.060657      3.997461
  H     -10.497686      1.970737      3.360989
  H      -8.520055      1.216916      4.637879
  N      -1.718239      3.137856      3.255085
  H      -1.881298      2.656996      2.366841
  H      -0.783605      3.544009      3.205087
  H      -2.373080      3.924448      3.320768
99
Coordinates from ORCA-job orca E -6652.996296700335
  N      -2.431108      3.344171      6.200907
  Mo     -2.310991      1.527825      5.429504
  N      -2.893655      0.344291      6.862309
  C      -2.006193      0.060023      7.996842
  C      -1.076289      1.243111      8.212853
  N      -0.510663      1.731124      6.922179
  C      -0.119150      3.173864      7.019499
  C      -1.170634      4.069636      6.320625
  C       0.591747      0.863091      6.422172
  C       0.495434      0.811142      4.892377
  N      -0.887991      0.490694      4.569368
  H      -0.817270      4.362840      5.322367
  H      -1.303327      5.003913      6.892292
  H       0.870273      3.317519      6.563490
  H      -0.021255      3.441864      8.083679
  H       1.193852      0.059553      4.487449
  H       0.770618      1.791489      4.463231
  H       0.426615     -0.152458      6.809120
  H       1.571192      1.218113      6.785568
  H      -2.565576     -0.100943      8.936384
  H      -1.440156     -0.876370      7.809476
  H      -1.659264      2.072798      8.633436
  H      -0.271349      0.992856      8.927098
  C      -3.480479      3.765174      7.118287
  C      -4.087494      5.114197      6.753368
  O      -4.965610      5.011854      5.614377
  C      -4.496955      5.383061      4.406776
  O      -3.326217      5.666825      4.178774
  C      -5.621023      5.462201      3.403911
  N      -6.840299      5.498249      3.932980
  C      -7.881699      5.676833      3.094707
  N      -7.839341      5.824693      1.782232
  C      -6.602983      5.752257      1.209339
  C      -6.514779      5.853587     -0.200438
  C      -5.292234      5.768259     -0.826826
  C      -4.114419      5.587170     -0.064161
  C      -4.161562      5.498316      1.311798
  C      -5.407412      5.572097      1.992422
  C      -1.226992     -0.836988      4.056269
  C      -1.759733     -0.843703      2.599645
  O      -2.426725      0.342139      2.107280
  C      -3.544657      0.830693      2.731123
  O      -3.584754      0.762900      4.023889
  C      -4.502860      1.508201      1.943918
  N      -5.572230      1.981957      2.661557
  C      -6.586331      2.505873      1.974160
  N      -6.716706      2.636929      0.653211
  C      -5.616685      2.280474     -0.085801
  C      -5.656335      2.508035     -1.481618
  C      -4.561321      2.228937     -2.281960
  C      -3.388645      1.715028     -1.701985
  C      -3.327707      1.465516     -0.335571
  C      -4.433362      1.722316      0.506158
  C      -4.054591     -0.543315      6.813532
  C      -5.148952     -0.204753      7.817380
  O      -5.708823      1.108477      7.577678
  C      -6.849114      1.151437      6.849215
  O      -7.345152      0.178789      6.304570
  C      -7.464795      2.527361      6.865689
  N      -7.035891      3.351293      7.818875
  C      -7.686194      4.528378      7.957105
  N      -8.752287      4.941130      7.293939
  C      -9.192906      4.122992      6.295784
  C     -10.332803      4.514750      5.551183
  C     -10.779643      3.733590      4.506202
  C     -10.093824      2.547526      4.155393
  C      -8.996504      2.124250      4.878713
  C      -8.536267      2.882284      5.987061
  H      -3.098807      3.859437      8.156926
  H      -4.286811      3.017254      7.140054
  H      -3.312704      5.867924      6.554852
  H      -4.734202      5.451800      7.576751
  H      -8.863153      5.699963      3.572732
  H      -7.444532      5.974942     -0.757232
  H      -5.227508      5.823125     -1.914708
  H      -3.152914      5.515260     -0.575964
  H      -3.252416      5.380026      1.895821
  H      -1.986663     -1.305827      4.701821
  H      -0.337527     -1.491117      4.086787
  H      -2.445569     -1.698965      2.475470
  H      -0.928890     -0.956837      1.890515
  H      -7.425323      2.867398      2.580080
  H      -6.573833      2.931513     -1.891693
  H      -4.602539      2.418826     -3.356590
  H      -2.518898      1.504734     -2.327910
  H      -2.414814      1.055778      0.089439
  H      -4.492646     -0.506091      5.806621
  H      -3.747204     -1.590652      7.007738
  H      -5.946765     -0.957564      7.749715
  H      -4.767353     -0.161670      8.846801
  H      -7.296337      5.197289      8.731738
  H     -10.817669      5.453818      5.821484
  H     -11.653430      4.041665      3.929048
  H     -10.435832      1.960522      3.301828
  H      -8.478727      1.206675      4.609246
  N      -1.729857      3.152302      3.263577
  H      -1.925753      2.686276      2.374221
  H      -0.785955      3.534212      3.196249
  H      -2.363046      3.954438      3.351838
99
Coordinates from ORCA-job orca E -6652.997073760329
  N      -2.435102      3.346299      6.213877
  Mo     -2.314568      1.534682      5.432977
  N      -2.888654      0.346174      6.865206
  C      -1.997092      0.065215      7.997365
  C      -1.066651      1.249168      8.209700
  N      -0.505408      1.736724      6.917601
  C      -0.113989      3.178698      7.011519
  C      -1.176684      4.076186      6.330913
  C       0.593463      0.868902      6.412292
  C       0.491050      0.819235      4.882936
  N      -0.893884      0.501828      4.565003
  H      -0.833089      4.381921      5.332991
  H      -1.309508      5.003638      6.913287
  H       0.867625      3.323252      6.539254
  H       0.001913      3.444874      8.074446
  H       1.186302      0.066721      4.474437
  H       0.766792      1.799508      4.453959
  H       0.429355     -0.146864      6.798927
  H       1.574937      1.222917      6.771438
  H      -2.553855     -0.094551      8.938625
  H      -1.430873     -0.870916      7.809646
  H      -1.647961      2.078927      8.632346
  H      -0.259530      0.998675      8.921549
  C      -3.484732      3.760981      7.134056
  C      -4.098219      5.108712      6.774325
  O      -4.969640      5.008504      5.630016
  C      -4.497763      5.398872      4.430037
  O      -3.327850      5.693994      4.212133
  C      -5.614004      5.483273      3.420152
  N      -6.837149      5.544965      3.938809
  C      -7.867481      5.732414      3.088476
  N      -7.810926      5.864966      1.774759
  C      -6.570974      5.763524      1.213837
  C      -6.467314      5.844206     -0.196136
  C      -5.240406      5.727151     -0.809285
  C      -4.073275      5.535035     -0.032838
  C      -4.135553      5.466869      1.343591
  C      -5.386343      5.572732      2.010166
  C      -1.237011     -0.821686      4.043902
  C      -1.767815     -0.819441      2.587137
  O      -2.439965      0.366700      2.104475
  C      -3.558638      0.849585      2.734074
  O      -3.590846      0.784491      4.027896
  C      -4.524317      1.523457      1.952823
  N      -5.585864      2.005087      2.678000
  C      -6.603855      2.529905      1.997217
  N      -6.747606      2.652620      0.676830
  C      -5.657636      2.284843     -0.071211
  C      -5.712949      2.499447     -1.468572
  C      -4.628532      2.208930     -2.279215
  C      -3.450863      1.696821     -1.708204
  C      -3.374789      1.459713     -0.340197
  C      -4.469676      1.727400      0.512214
  C      -4.046097     -0.545896      6.818375
  C      -5.140509     -0.211145      7.824015
  O      -5.706139      1.099460      7.583010
  C      -6.846416      1.136418      6.855246
  O      -7.341808      0.160892      6.315816
  C      -7.464128      2.512464      6.862493
  N      -7.049475      3.338297      7.819870
  C      -7.703474      4.515243      7.946608
  N      -8.759434      4.925445      7.266224
  C      -9.184017      4.105320      6.262837
  C     -10.311019      4.495477      5.497872
  C     -10.740050      3.711454      4.447772
  C     -10.049812      2.523189      4.112693
  C      -8.965486      2.101341      4.855735
  C      -8.522924      2.863734      5.968099
  H      -3.101265      3.853518      8.172196
  H      -4.287869      3.009851      7.154735
  H      -3.327186      5.868754      6.585915
  H      -4.751446      5.436454      7.596335
  H      -8.852972      5.777820      3.557023
  H      -7.389202      5.974500     -0.763885
  H      -5.164272      5.765278     -1.897109
  H      -3.108564      5.437910     -0.534362
  H      -3.233786      5.341682      1.938160
  H      -1.998465     -1.291240      4.686703
  H      -0.349786     -1.478951      4.071766
  H      -2.448091     -1.678153      2.455483
  H      -0.935273     -0.922171      1.878331
  H      -7.434807      2.900468      2.608889
  H      -6.633991      2.922306     -1.871678
  H      -4.681989      2.388488     -3.355114
  H      -2.589213      1.477724     -2.342290
  H      -2.458269      1.051173      0.077852
  H      -4.485813     -0.510491      5.811962
  H      -3.734340     -1.591887      7.012486
  H      -5.935263     -0.967371      7.758459
  H      -4.757896     -0.164707      8.852866
  H      -7.326404      5.185914      8.726014
  H     -10.799998      5.435599      5.757021
  H     -11.603377      4.018461      3.854496
  H     -10.377611      1.934112      3.254956
  H      -8.443606      1.182884      4.597300
  N      -1.738389      3.170683      3.275285
  H      -1.972474      2.724553      2.385128
  H      -0.784420      3.523012      3.188098
  H      -2.343889      3.990723      3.390373
99
Coordinates from ORCA-job orca E -6652.997866286828
  N      -2.442951      3.345834      6.220280
  Mo     -2.318952      1.538099      5.431468
  N      -2.885647      0.345732      6.863942
  C      -1.991508      0.070560      7.995555
  C      -1.062671      1.256969      8.205204
  N      -0.502912      1.742680      6.912841
  C      -0.113658      3.184049      7.001367
  C      -1.187526      4.081486      6.337277
  C       0.593994      0.875565      6.406158
  C       0.488716      0.825030      4.877344
  N      -0.896519      0.509137      4.561836
  H      -0.852305      4.400687      5.340704
  H      -1.322597      5.001573      6.930368
  H       0.859818      3.329901      6.513023
  H       0.019627      3.450257      8.062328
  H       1.182270      0.071416      4.468244
  H       0.765267      1.804584      4.447295
  H       0.431916     -0.139702      6.794600
  H       1.576495      1.230791      6.761623
  H      -2.547068     -0.088297      8.937539
  H      -1.423112     -0.864344      7.809080
  H      -1.644538      2.086578      8.627252
  H      -0.255140      1.008062      8.917320
  C      -3.495267      3.753066      7.140964
  C      -4.117551      5.099269      6.787936
  O      -4.984687      5.004146      5.639869
  C      -4.510160      5.415620      4.448204
  O      -3.341156      5.721871      4.241083
  C      -5.618397      5.509032      3.431692
  N      -6.845526      5.590767      3.939161
  C      -7.863895      5.789878      3.076835
  N      -7.792591      5.914193      1.762973
  C      -6.548989      5.790120      1.214715
  C      -6.428859      5.858517     -0.194473
  C      -5.197079      5.718131     -0.793337
  C      -4.041047      5.515178     -0.003063
  C      -4.119601      5.459107      1.372902
  C      -5.375906      5.587885      2.024258
  C      -1.241034     -0.812081      4.036048
  C      -1.764585     -0.805926      2.577477
  O      -2.441556      0.377912      2.098740
  C      -3.562971      0.857099      2.729323
  O      -3.592390      0.797923      4.024521
  C      -4.533315      1.525676      1.948999
  N      -5.588461      2.018944      2.677000
  C      -6.605977      2.546936      1.998267
  N      -6.757636      2.661045      0.678157
  C      -5.676428      2.277664     -0.074364
  C      -5.741361      2.479688     -1.473200
  C      -4.665444      2.174409     -2.289599
  C      -3.486652      1.660703     -1.722930
  C      -3.401234      1.436148     -0.353243
  C      -4.487766      1.717714      0.505447
  C      -4.039717     -0.550567      6.819565
  C      -5.133021     -0.219789      7.828704
  O      -5.704025      1.088852      7.589497
  C      -6.847174      1.121799      6.867661
  O      -7.346099      0.144503      6.335474
  C      -7.464359      2.499470      6.869148
  N      -7.052649      3.327937      7.824943
  C      -7.704977      4.507280      7.943480
  N      -8.754369      4.917423      7.253727
  C      -9.175035      4.094392      6.251253
  C     -10.294007      4.485696      5.475046
  C     -10.718796      3.697062      4.427020
  C     -10.033855      2.501619      4.106285
  C      -8.957682      2.078875      4.860021
  C      -8.517959      2.848030      5.968571
  H      -3.111902      3.843699      8.179235
  H      -4.293775      2.997357      7.158343
  H      -3.351438      5.866428      6.609244
  H      -4.775930      5.415283      7.610091
  H      -8.853459      5.855120      3.535102
  H      -7.342280      5.997834     -0.773541
  H      -5.108765      5.746315     -1.880451
  H      -3.072701      5.399798     -0.493481
  H      -3.225628      5.326797      1.978054
  H      -2.005908     -1.280887      4.675135
  H      -0.355642     -1.471646      4.066054
  H      -2.437261     -1.669526      2.438205
  H      -0.927555     -0.898929      1.872566
  H      -7.429731      2.930154      2.611841
  H      -6.662942      2.905077     -1.872951
  H      -4.726402      2.343869     -3.366716
  H      -2.631399      1.430341     -2.361613
  H      -2.483797      1.026668      0.061341
  H      -4.481929     -0.516024      5.814026
  H      -3.724061     -1.595481      7.012456
  H      -5.925226     -0.978904      7.765981
  H      -4.747807     -0.170813      8.856361
  H      -7.332022      5.179805      8.723160
  H     -10.780039      5.430012      5.724230
  H     -11.575409      4.004899      3.824565
  H     -10.358614      1.908617      3.250107
  H      -8.439052      1.155940      4.611364
  N      -1.745343      3.180295      3.283887
  H      -2.008368      2.749919      2.394275
  H      -0.784275      3.509007      3.181326
  H      -2.329202      4.012986      3.418014
99
Coordinates from ORCA-job orca E -6652.998650776138
  N      -2.447627      3.347619      6.234475
  Mo     -2.322384      1.544680      5.435087
  N      -2.879920      0.345524      6.866499
  C      -1.983411      0.075109      7.997377
  C      -1.056320      1.263806      8.205104
  N      -0.498744      1.748072      6.911993
  C      -0.108969      3.188329      6.996686
  C      -1.194513      4.087642      6.352765
  C       0.595801      0.880862      6.403014
  C       0.487301      0.832033      4.874511
  N      -0.898576      0.520448      4.560343
  H      -0.867595      4.421894      5.358239
  H      -1.331069      4.999062      6.958417
  H       0.854578      3.334239      6.489287
  H       0.045659      3.452630      8.055302
  H       1.178011      0.077064      4.463260
  H       0.766486      1.811183      4.445138
  H       0.434869     -0.134272      6.791914
  H       1.579401      1.236087      6.755544
  H      -2.538151     -0.084326      8.939601
  H      -1.412448     -0.858155      7.811167
  H      -1.638666      2.092989      8.627216
  H      -0.247702      1.016291      8.916564
  C      -3.504744      3.751025      7.151714
  C      -4.131160      5.096681      6.801581
  O      -4.992854      5.005821      5.648780
  C      -4.516183      5.434655      4.464345
  O      -3.348554      5.752039      4.266333
  C      -5.617613      5.535636      3.442568
  N      -6.846750      5.645715      3.941064
  C      -7.854118      5.855078      3.067937
  N      -7.770914      5.961266      1.753165
  C      -6.526032      5.806224      1.215663
  C      -6.393071      5.851985     -0.193161
  C      -5.159137      5.680110     -0.779632
  C      -4.013307      5.467993      0.022873
  C      -4.104506      5.433968      1.398591
  C      -5.363445      5.594341      2.036907
  C      -1.247284     -0.796156      4.025754
  C      -1.764285     -0.780596      2.565579
  O      -2.447349      0.401976      2.095356
  C      -3.570450      0.875569      2.729592
  O      -3.593653      0.821518      4.026252
  C      -4.548214      1.539337      1.954888
  N      -5.595410      2.041598      2.689578
  C      -6.617147      2.568312      2.016848
  N      -6.783342      2.671572      0.697630
  C      -5.712931      2.275301     -0.063212
  C      -5.794849      2.460692     -1.463480
  C      -4.730478      2.141938     -2.289710
  C      -3.546358      1.631473     -1.731733
  C      -3.444558      1.422992     -0.360546
  C      -4.519273      1.717633      0.508449
  C      -4.028819     -0.557105      6.820038
  C      -5.124282     -0.235415      7.830416
  O      -5.703471      1.070307      7.593629
  C      -6.844772      1.100322      6.870033
  O      -7.342290      0.122765      6.337705
  C      -7.464563      2.478008      6.870803
  N      -7.068987      3.300338      7.837922
  C      -7.723804      4.479335      7.952467
  N      -8.759035      4.894156      7.245420
  C      -9.161481      4.077869      6.230285
  C     -10.262747      4.476789      5.433030
  C     -10.667981      3.694486      4.372974
  C      -9.981713      2.497127      4.061888
  C      -8.922672      2.067255      4.835108
  C      -8.502223      2.831195      5.954438
  H      -3.124462      3.839729      8.191234
  H      -4.300849      2.992996      7.164236
  H      -3.367823      5.868526      6.632003
  H      -4.794820      5.404662      7.622169
  H      -8.846055      5.946786      3.517031
  H      -7.298779      5.999452     -0.782107
  H      -5.061535      5.690448     -1.866140
  H      -3.043462      5.327242     -0.457666
  H      -3.217253      5.295537      2.012288
  H      -2.015623     -1.265133      4.660422
  H      -0.364799     -1.459650      4.055007
  H      -2.428170     -1.649376      2.415627
  H      -0.922836     -0.860498      1.864244
  H      -7.432716      2.960785      2.635254
  H      -6.720412      2.884017     -1.856504
  H      -4.804877      2.297950     -3.367961
  H      -2.699925      1.390544     -2.378107
  H      -2.523097      1.016310      0.047490
  H      -4.470843     -0.521456      5.814289
  H      -3.707720     -1.600874      7.009592
  H      -5.911764     -0.999253      7.767060
  H      -4.739352     -0.184453      8.857983
  H      -7.365736      5.146385      8.743563
  H     -10.750715      5.421546      5.676412
  H     -11.510168      4.008293      3.753629
  H     -10.290848      1.909418      3.196393
  H      -8.401890      1.144091      4.592292
  N      -1.755548      3.195900      3.299498
  H      -2.048552      2.781172      2.411819
  H      -0.788672      3.501154      3.179458
  H      -2.318013      4.039684      3.453486
99
Coordinates from ORCA-job orca E -6652.999330804103
  N      -2.455910      3.347072      6.247162
  Mo     -2.326910      1.550103      5.436000
  N      -2.876709      0.343614      6.865135
  C      -1.978083      0.078238      7.995674
  C      -1.053711      1.269667      8.202529
  N      -0.497106      1.753732      6.909645
  C      -0.108946      3.193200      6.992221
  C      -1.206731      4.093472      6.369223
  C       0.596139      0.887736      6.398885
  C       0.485619      0.840454      4.870747
  N      -0.900465      0.531885      4.557980
  H      -0.887698      4.445377      5.378114
  H      -1.346691      4.994740      6.988873
  H       0.844727      3.341034      6.467245
  H       0.065256      3.454735      8.048554
  H       1.174325      0.084659      4.457821
  H       0.766944      1.819367      4.442122
  H       0.436847     -0.127442      6.787966
  H       1.580269      1.243808      6.749306
  H      -2.532189     -0.081908      8.938031
  H      -1.404155     -0.853262      7.810253
  H      -1.637716      2.097938      8.624088
  H      -0.244646      1.024176      8.914305
  C      -3.520155      3.743943      7.159086
  C      -4.152016      5.088126      6.811652
  O      -5.007546      5.001099      5.653537
  C      -4.526259      5.445317      4.476884
  O      -3.358223      5.767046      4.288646
  C      -5.619515      5.559182      3.448838
  N      -6.850599      5.695874      3.936942
  C      -7.845599      5.918422      3.052455
  N      -7.749225      6.010827      1.737542
  C      -6.503140      5.827300      1.212124
  C      -6.355978      5.855691     -0.195684
  C      -5.119997      5.654112     -0.768485
  C      -3.985696      5.429660      0.046864
  C      -4.090801      5.412926      1.421783
  C      -5.352404      5.602749      2.045702
  C      -1.251332     -0.780696      4.015153
  C      -1.759930     -0.756917      2.552868
  O      -2.448877      0.424052      2.089681
  C      -3.574693      0.890929      2.725998
  O      -3.596003      0.839870      4.023422
  C      -4.558706      1.550391      1.955229
  N      -5.598948      2.062031      2.694186
  C      -6.623160      2.588303      2.025243
  N      -6.800683      2.680899      0.706739
  C      -5.739632      2.271394     -0.059825
  C      -5.834629      2.441174     -1.461300
  C      -4.779618      2.109343     -2.294214
  C      -3.591841      1.601488     -1.742104
  C      -3.477396      1.408085     -0.369678
  C      -4.542560      1.715656      0.506504
  C      -4.021273     -0.564269      6.818849
  C      -5.115953     -0.250143      7.833010
  O      -5.700668      1.053962      7.601035
  C      -6.843973      1.081673      6.881634
  O      -7.344066      0.103528      6.353410
  C      -7.462487      2.460792      6.878536
  N      -7.073213      3.282375      7.848428
  C      -7.725838      4.463780      7.955905
  N      -8.750177      4.882256      7.236034
  C      -9.144866      4.066787      6.217284
  C     -10.232946      4.471220      5.404916
  C     -10.630200      3.688325      4.342575
  C      -9.950350      2.483688      4.045376
  C      -8.904049      2.048874      4.832597
  C      -8.490423      2.815246      5.952595
  H      -3.145318      3.830693      8.200723
  H      -4.312304      2.982004      7.165180
  H      -3.392095      5.865221      6.651595
  H      -4.821803      5.387412      7.630165
  H      -8.839781      6.034640      3.491351
  H      -7.252968      6.013586     -0.795081
  H      -5.012179      5.650466     -1.853981
  H      -3.014368      5.264881     -0.422780
  H      -3.211205      5.266014      2.044555
  H      -2.023673     -1.249910      4.644604
  H      -0.371399     -1.447561      4.045128
  H      -2.414663     -1.630819      2.392020
  H      -0.913409     -0.823977      1.856220
  H      -7.431186      2.991548      2.646633
  H      -6.762793      2.862989     -1.849998
  H      -4.864362      2.252909     -3.373403
  H      -2.752592      1.350266     -2.393834
  H      -2.553191      1.003587      0.034062
  H      -4.464831     -0.528233      5.813676
  H      -3.695291     -1.607051      7.005480
  H      -5.900613     -1.016885      7.770419
  H      -4.728480     -0.199368      8.859548
  H      -7.375047      5.129483      8.751317
  H     -10.717175      5.420187      5.639029
  H     -11.461604      4.006362      3.711016
  H     -10.253450      1.895098      3.178365
  H      -8.387183      1.121170      4.599069
  N      -1.763065      3.210631      3.314679
  H      -2.079327      2.810171      2.428410
  H      -0.791968      3.496635      3.181235
  H      -2.307610      4.062961      3.484367
99
Coordinates from ORCA-job orca E -6652.999998417244
  N      -2.460976      3.347451      6.261241
  Mo     -2.329673      1.555981      5.438749
  N      -2.871987      0.342970      6.866669
  C      -1.971289      0.082503      7.996947
  C      -1.048907      1.276229      8.202071
  N      -0.493165      1.758736      6.908834
  C      -0.105201      3.197253      6.988132
  C      -1.215478      4.099579      6.388667
  C       0.598190      0.892449      6.396632
  C       0.485311      0.845383      4.868731
  N      -0.901520      0.541883      4.556990
  H      -0.904754      4.471933      5.402166
  H      -1.358709      4.988690      7.024706
  H       0.836961      3.345947      6.443224
  H       0.091578      3.456149      8.041258
  H       1.170906      0.087394      4.454761
  H       0.770456      1.823251      4.439984
  H       0.439909     -0.122308      6.786954
  H       1.583251      1.248802      6.744366
  H      -2.524692     -0.077995      8.939560
  H      -1.394764     -0.847524      7.812430
  H      -1.633938      2.104339      8.622534
  H      -0.239425      1.032782      8.914191
  C      -3.533130      3.738858      7.166493
  C      -4.168203      5.082859      6.822598
  O      -5.017722      5.002225      5.658975
  C      -4.533001      5.464709      4.490840
  O      -3.365910      5.795759      4.313153
  C      -5.618784      5.589027      3.456965
  N      -6.850785      5.749803      3.936370
  C      -7.835348      5.982387      3.042332
  N      -7.728798      6.059380      1.727221
  C      -6.482577      5.849770      1.211919
  C      -6.324861      5.858851     -0.194971
  C      -5.088256      5.630172     -0.756398
  C      -3.963229      5.398283      0.069544
  C      -4.078614      5.400719      1.443649
  C      -5.341451      5.616989      2.055778
  C      -1.257295     -0.766257      4.006068
  C      -1.758378     -0.733310      2.542053
  O      -2.453420      0.446201      2.086308
  C      -3.580820      0.907411      2.725567
  O      -3.596526      0.861975      4.024284
  C      -4.571951      1.562444      1.960257
  N      -5.602578      2.085554      2.705574
  C      -6.630753      2.611296      2.042690
  N      -6.823560      2.691509      0.725455
  C      -5.774364      2.266869     -0.048981
  C      -5.886242      2.419427     -1.451263
  C      -4.843112      2.072890     -2.293090
  C      -3.650442      1.567591     -1.749549
  C      -3.519685      1.390838     -0.376255
  C      -4.572701      1.712834      0.509292
  C      -4.011416     -0.571278      6.819698
  C      -5.107027     -0.266238      7.836016
  O      -5.699378      1.035149      7.607112
  C      -6.842761      1.058948      6.888616
  O      -7.342819      0.079599      6.363154
  C      -7.462001      2.438576      6.881138
  N      -7.085391      3.257253      7.857911
  C      -7.737084      4.440453      7.957295
  N      -8.745745      4.864117      7.219324
  C      -9.126032      4.051694      6.192786
  C     -10.195072      4.463824      5.359407
  C     -10.577792      3.682729      4.290687
  C      -9.903021      2.471431      4.008816
  C      -8.874787      2.029676      4.815395
  C      -8.474872      2.795860      5.940415
  H      -3.165240      3.822001      8.210915
  H      -4.322479      2.974147      7.164284
  H      -3.410659      5.864201      6.672727
  H      -4.843596      5.373726      7.639337
  H      -8.830564      6.121862      3.472532
  H      -7.214723      6.023700     -0.803031
  H      -4.973033      5.611162     -1.840918
  H      -2.991506      5.211514     -0.390888
  H      -3.204833      5.248648      2.073227
  H      -2.034042     -1.234424      4.630763
  H      -0.381129     -1.438158      4.036065
  H      -2.404115     -1.612028      2.370356
  H      -0.907211     -0.787589      1.849835
  H      -7.429108      3.026350      2.668682
  H      -6.817879      2.839870     -1.833541
  H      -4.941116      2.202892     -3.372871
  H      -2.820293      1.304931     -2.408360
  H      -2.591776      0.988783      0.021210
  H      -4.455527     -0.535271      5.814651
  H      -3.679589     -1.612747      7.003417
  H      -5.887404     -1.037247      7.773379
  H      -4.718559     -0.214448      8.862063
  H      -7.399039      5.102749      8.760950
  H     -10.676472      5.416644      5.583321
  H     -11.393881      4.006607      3.642394
  H     -10.194699      1.884026      3.137109
  H      -8.360538      1.098061      4.592064
  N      -1.768017      3.223356      3.331464
  H      -2.108547      2.836726      2.447962
  H      -0.793251      3.489186      3.183532
  H      -2.293681      4.083908      3.516553
99
Coordinates from ORCA-job orca E -6653.000591129982
  N      -2.467586      3.347163      6.274517
  Mo     -2.333171      1.562081      5.439345
  N      -2.869183      0.341314      6.864531
  C      -1.966523      0.085078      7.994559
  C      -1.047059      1.281486      8.200019
  N      -0.491105      1.764150      6.907322
  C      -0.104230      3.201669      6.985702
  C      -1.226505      4.105443      6.409738
  C       0.599497      0.898866      6.394271
  C       0.485342      0.852617      4.866697
  N      -0.901614      0.553187      4.555267
  H      -0.922558      4.499123      5.429175
  H      -1.374161      4.981487      7.062536
  H       0.826775      3.352175      6.422648
  H       0.113150      3.456832      8.035783
  H       1.168697      0.093220      4.451674
  H       0.773872      1.829858      4.438546
  H       0.442837     -0.115725      6.785386
  H       1.584765      1.256477      6.740339
  H      -2.519511     -0.077211      8.937028
  H      -1.386736     -0.842951      7.810336
  H      -1.634193      2.108684      8.619358
  H      -0.237572      1.040246      8.913014
  C      -3.549378      3.733501      7.170785
  C      -4.186438      5.076853      6.827025
  O      -5.031875      5.000552      5.659570
  C      -4.542433      5.474239      4.498271
  O      -3.374334      5.805696      4.328436
  C      -5.620124      5.611343      3.458466
  N      -6.853120      5.795749      3.927615
  C      -7.825809      6.039092      3.022720
  N      -7.707137      6.102443      1.707779
  C      -6.460329      5.867982      1.204600
  C      -6.289530      5.859803     -0.200789
  C      -5.051638      5.604759     -0.748318
  C      -3.937637      5.364642      0.090153
  C      -4.065795      5.384369      1.462933
  C      -5.330685      5.625754      2.060315
  C      -1.260114     -0.750781      3.996160
  C      -1.752193     -0.709446      2.530133
  O      -2.453405      0.468099      2.080721
  C      -3.583019      0.922725      2.721835
  O      -3.597580      0.880270      4.021144
  C      -4.580589      1.573775      1.960863
  N      -5.603137      2.106192      2.711041
  C      -6.634298      2.631732      2.053076
  N      -6.839564      2.702357      0.737098
  C      -5.800303      2.265123     -0.043473
  C      -5.925938      2.403393     -1.446147
  C      -4.892754      2.044258     -2.294880
  C      -3.696374      1.540503     -1.758352
  C      -3.552296      1.377520     -0.384623
  C      -4.595147      1.712049      0.508289
  C      -4.004394     -0.578059      6.816603
  C      -5.099434     -0.282611      7.836813
  O      -5.699493      1.016540      7.613907
  C      -6.845593      1.037640      6.900163
  O      -7.347941      0.057616      6.378668
  C      -7.463791      2.418461      6.889728
  N      -7.090653      3.236655      7.867887
  C      -7.737522      4.423615      7.960102
  N      -8.734227      4.852967      7.209952
  C      -9.109893      4.040962      6.181377
  C     -10.164335      4.461048      5.333595
  C     -10.543163      3.678896      4.264482
  C      -9.880183      2.457604      3.997720
  C      -8.865464      2.008882      4.817203
  C      -8.467846      2.778004      5.940938
  H      -3.190375      3.814239      8.218547
  H      -4.335658      2.965861      7.160504
  H      -3.430101      5.860456      6.683559
  H      -4.865833      5.363449      7.641667
  H      -8.822334      6.200895      3.442655
  H      -7.170845      6.032465     -0.819045
  H      -4.927080      5.571920     -1.831452
  H      -2.964939      5.156937     -0.359077
  H      -3.199133      5.226145      2.101187
  H      -2.041198     -1.218675      4.615492
  H      -0.386974     -1.426665      4.026915
  H      -2.388297     -1.593078      2.347279
  H      -0.895848     -0.750761      1.843320
  H      -7.424545      3.056367      2.682647
  H      -6.860285      2.822836     -1.823310
  H      -5.001679      2.162924     -3.374932
  H      -2.873854      1.267931     -2.422675
  H      -2.621516      0.977310      0.007828
  H      -4.449469     -0.540885      5.811936
  H      -3.667529     -1.618711      6.996276
  H      -5.875870     -1.057563      7.774657
  H      -4.708224     -0.231283      8.861795
  H      -7.404856      5.084258      8.767322
  H     -10.638018      5.419995      5.547526
  H     -11.347409      4.008736      3.604522
  H     -10.169040      1.868749      3.126035
  H      -8.358787      1.070855      4.603734
  N      -1.770932      3.236959      3.349322
  H      -2.136949      2.866731      2.469008
  H      -0.792609      3.480351      3.186273
  H      -2.274252      4.107085      3.550734
99
Coordinates from ORCA-job orca E -6653.001181145130
  N      -2.469445      3.346571      6.285532
  Mo     -2.334684      1.566113      5.440532
  N      -2.865680      0.340961      6.866201
  C      -1.961423      0.089745      7.996532
  C      -1.042942      1.287702      8.199620
  N      -0.486463      1.766522      6.906211
  C      -0.098037      3.202760      6.979780
  C      -1.231806      4.109589      6.428954
  C       0.601939      0.898950      6.394098
  C       0.486433      0.850135      4.866803
  N      -0.901350      0.557663      4.555322
  H      -0.935088      4.525974      5.455252
  H      -1.382615      4.971094      7.099977
  H       0.819855      3.352355      6.395620
  H       0.143610      3.455928      8.025161
  H       1.165821      0.086799      4.452594
  H       0.780888      1.825098      4.437108
  H       0.445323     -0.114236      6.788573
  H       1.588164      1.256842      6.737337
  H      -2.514136     -0.071824      8.939179
  H      -1.379743     -0.837424      7.814091
  H      -1.630637      2.115907      8.616234
  H      -0.233696      1.048783      8.913772
  C      -3.560449      3.728273      7.173036
  C      -4.199002      5.072589      6.834206
  O      -5.040542      5.005222      5.662503
  C      -4.549428      5.497763      4.509702
  O      -3.382974      5.839526      4.349344
  C      -5.621283      5.645158      3.465663
  N      -6.855068      5.843060      3.928057
  C      -7.819800      6.093520      3.016053
  N      -7.693791      6.147142      1.701410
  C      -6.446799      5.897624      1.206079
  C      -6.268337      5.876690     -0.198221
  C      -5.029571      5.606931     -0.736915
  C      -3.921685      5.366506      0.109413
  C      -4.057495      5.398918      1.481154
  C      -5.323948      5.652628      2.069359
  C      -1.266302     -0.742009      3.989377
  C      -1.749460     -0.692473      2.521335
  O      -2.456116      0.483243      2.077238
  C      -3.586726      0.933896      2.720653
  O      -3.596610      0.898643      4.021089
  C      -4.591038      1.580476      1.964247
  N      -5.603336      2.126742      2.719218
  C      -6.636630      2.654125      2.066197
  N      -6.855283      2.713751      0.751730
  C      -5.828063      2.259286     -0.034890
  C      -5.967949      2.382079     -1.437758
  C      -4.946691      2.005493     -2.293333
  C      -3.748174      1.499408     -1.764047
  C      -3.590307      1.351608     -0.390056
  C      -4.620937      1.703721      0.510162
  C      -3.997084     -0.583277      6.819962
  C      -5.091408     -0.294051      7.843023
  O      -5.698479      1.002172      7.621157
  C      -6.846376      1.017152      6.910992
  O      -7.349902      0.033992      6.397085
  C      -7.464606      2.398599      6.891530
  N      -7.099865      3.219142      7.870365
  C      -7.743770      4.409148      7.949916
  N      -8.725620      4.841027      7.182495
  C      -9.091674      4.026192      6.152697
  C     -10.128393      4.450457      5.285504
  C     -10.498764      3.663496      4.217158
  C      -9.845796      2.432274      3.971528
  C      -8.847493      1.980164      4.808850
  C      -8.456832      2.756230      5.930242
  H      -3.210423      3.803237      8.224297
  H      -4.344666      2.958820      7.152152
  H      -3.444116      5.859104      6.699955
  H      -4.882199      5.351547      7.648170
  H      -8.816901      6.271039      3.428820
  H      -7.144646      6.051359     -0.822971
  H      -4.899599      5.563881     -1.819032
  H      -2.948013      5.148256     -0.332588
  H      -3.194275      5.241146      2.123963
  H      -2.052841     -1.207046      4.603838
  H      -0.398011     -1.424164      4.021276
  H      -2.376540     -1.580452      2.327760
  H      -0.888015     -0.721901      1.840203
  H      -7.416989      3.091888      2.699129
  H      -6.903623      2.803641     -1.809755
  H      -5.066853      2.111992     -3.373460
  H      -2.934877      1.213048     -2.433876
  H      -2.657891      0.950289     -0.002702
  H      -4.443618     -0.547165      5.815770
  H      -3.655538     -1.622744      6.997780
  H      -5.864254     -1.072710      7.783643
  H      -4.697636     -0.239894      8.866833
  H      -7.420857      5.070307      8.760601
  H     -10.595717      5.415601      5.484842
  H     -11.288750      3.996254      3.541671
  H     -10.128332      1.838971      3.100798
  H      -8.347071      1.035603      4.610147
  N      -1.769816      3.241721      3.365571
  H      -2.159292      2.884509      2.489986
  H      -0.788815      3.463325      3.187984
  H      -2.252366      4.120144      3.579828
99
Coordinates from ORCA-job orca E -6653.001662076850
  N      -2.476367      3.346547      6.300477
  Mo     -2.338062      1.573141      5.441548
  N      -2.862817      0.339231      6.863957
  C      -1.956946      0.091421      7.994191
  C      -1.041837      1.292179      8.198417
  N      -0.485529      1.772119      6.905373
  C      -0.097931      3.207575      6.979025
  C      -1.243745      4.115841      6.454222
  C       0.603251      0.906030      6.392634
  C       0.487054      0.858476      4.865471
  N      -0.900735      0.570221      4.553302
  H      -0.953613      4.555699      5.488592
  H      -1.399367      4.961639      7.143829
  H       0.807115      3.359181      6.375931
  H       0.165566      3.456302      8.020328
  H       1.164417      0.093939      4.450161
  H       0.785221      1.833011      4.436935
  H       0.448542     -0.107194      6.787527
  H       1.589189      1.265630      6.735016
  H      -2.509541     -0.072725      8.936416
  H      -1.371832     -0.833583      7.811665
  H      -1.631996      2.119049      8.614272
  H      -0.232233      1.055633      8.913017
  C      -3.577491      3.722771      7.178321
  C      -4.215934      5.066917      6.839164
  O      -5.051869      5.002903      5.662721
  C      -4.554307      5.502728      4.516323
  O      -3.386592      5.843967      4.364236
  C      -5.617581      5.661293      3.465858
  N      -6.851630      5.880494      3.918372
  C      -7.805097      6.140605      2.996503
  N      -7.668175      6.181733      1.682402
  C      -6.421294      5.909706      1.198548
  C      -6.231535      5.873401     -0.203967
  C      -4.992266      5.580719     -0.729795
  C      -3.894550      5.333341      0.127749
  C      -4.041330      5.380858      1.497969
  C      -5.309129      5.656401      2.072598
  C      -1.268264     -0.724493      3.977205
  C      -1.742679     -0.664081      2.507489
  O      -2.456819      0.509760      2.071472
  C      -3.589526      0.951727      2.717641
  O      -3.597323      0.918539      4.018499
  C      -4.601864      1.593058      1.966827
  N      -5.606850      2.145286      2.727231
  C      -6.644986      2.670132      2.080182
  N      -6.876811      2.721012      0.767472
  C      -5.858951      2.256972     -0.025570
  C      -6.013545      2.366014     -1.428084
  C      -5.002349      1.978643     -2.290767
  C      -3.799295      1.475146     -1.769484
  C      -3.627012      1.340885     -0.395792
  C      -4.647070      1.704426      0.511934
  C      -3.990351     -0.589654      6.816382
  C      -5.084003     -0.308721      7.842629
  O      -5.697828      0.985360      7.625050
  C      -6.848223      0.997746      6.918988
  O      -7.354120      0.013547      6.409754
  C      -7.465029      2.380189      6.896144
  N      -7.104479      3.199916      7.876964
  C      -7.743962      4.393157      7.949933
  N      -8.713551      4.830706      7.170726
  C      -9.074289      4.016659      6.138349
  C     -10.096365      4.448300      5.257661
  C     -10.462723      3.660742      4.188489
  C      -9.821121      2.420878      3.956472
  C      -8.836065      1.962324      4.805782
  C      -8.448074      2.740426      5.926684
  H      -3.237643      3.793922      8.233263
  H      -4.359273      2.951139      7.148061
  H      -3.461078      5.854394      6.711039
  H      -4.903557      5.343435      7.650074
  H      -8.802473      6.339305      3.399373
  H      -7.099933      6.054890     -0.837772
  H      -4.854222      5.525373     -1.810359
  H      -2.920360      5.097562     -0.303991
  H      -3.184490      5.217933      2.148447
  H      -2.058857     -1.190518      4.585607
  H      -0.402899     -1.410536      4.008316
  H      -2.359319     -1.556662      2.301195
  H      -0.876322     -0.678626      1.832017
  H      -7.417956      3.114620      2.717157
  H      -6.952640      2.785354     -1.794222
  H      -5.134271      2.074227     -3.370565
  H      -2.993807      1.180079     -2.444954
  H      -2.691150      0.942235     -0.014091
  H      -4.437442     -0.552436      5.812416
  H      -3.644391     -1.628417      6.990527
  H      -5.853305     -1.090899      7.784296
  H      -4.687591     -0.254336      8.865379
  H      -7.427036      5.052228      8.764666
  H     -10.556274      5.418767      5.448123
  H     -11.240840      3.999020      3.502067
  H     -10.100680      1.826541      3.085465
  H      -8.343110      1.012011      4.616263
  N      -1.772948      3.256272      3.385056
  H      -2.192428      2.918706      2.515571
  H      -0.790051      3.451364      3.187710
  H      -2.227264      4.145124      3.617920
99
Coordinates from ORCA-job orca E -6653.002151412694
  N      -2.476502      3.346496      6.312388
  Mo     -2.339514      1.578386      5.441578
  N      -2.860858      0.338738      6.863254
  C      -1.953728      0.093782      7.993672
  C      -1.039693      1.295678      8.198280
  N      -0.481878      1.773412      6.905142
  C      -0.091474      3.207168      6.976155
  C      -1.247324      4.119093      6.477963
  C       0.605614      0.905440      6.393921
  C       0.488987      0.855956      4.866996
  N      -0.899209      0.574967      4.553439
  H      -0.962145      4.582526      5.521643
  H      -1.406178      4.948297      7.186671
  H       0.799234      3.357327      6.352039
  H       0.196673      3.452474      8.011869
  H       1.162544      0.087627      4.452521
  H       0.793808      1.828350      4.437805
  H       0.451037     -0.106517      6.791801
  H       1.591874      1.265835      6.734568
  H      -2.506569     -0.071635      8.935425
  H      -1.366623     -0.830030      7.811541
  H      -1.630807      2.123016      8.611902
  H      -0.230570      1.060754      8.913987
  C      -3.587600      3.720524      7.179199
  C      -4.223278      5.066887      6.842439
  O      -5.057393      5.012050      5.663416
  C      -4.557210      5.521929      4.522854
  O      -3.389233      5.864389      4.375873
  C      -5.615931      5.691847      3.469776
  N      -6.849789      5.923529      3.917204
  C      -7.796713      6.189639      2.989671
  N      -7.654319      6.221748      1.675925
  C      -6.407926      5.936563      1.198330
  C      -6.212552      5.888255     -0.203042
  C      -4.973196      5.582277     -0.721394
  C      -3.880557      5.334751      0.142453
  C      -4.033078      5.393762      1.511550
  C      -5.301529      5.680566      2.078299
  C      -1.272123     -0.715206      3.969852
  C      -1.736085     -0.645964      2.498123
  O      -2.455188      0.526179      2.066894
  C      -3.588734      0.964526      2.714272
  O      -3.595461      0.937016      4.015834
  C      -4.607072      1.601996      1.967275
  N      -5.602051      2.166939      2.731624
  C      -6.641622      2.694447      2.089384
  N      -6.885338      2.737236      0.778503
  C      -5.879360      2.256539     -0.019658
  C      -6.047187      2.351812     -1.421722
  C      -5.048504      1.945719     -2.290274
  C      -3.844909      1.436584     -1.775891
  C      -3.659726      1.316072     -0.402599
  C      -4.666808      1.699250      0.511551
  C      -3.986314     -0.592912      6.816692
  C      -5.078087     -0.318271      7.846888
  O      -5.699447      0.972870      7.631571
  C      -6.853391      0.978993      6.931507
  O      -7.360893     -0.008627      6.430884
  C      -7.469792      2.361812      6.899025
  N      -7.110763      3.187586      7.874980
  C      -7.744746      4.384985      7.933734
  N      -8.702584      4.823285      7.141133
  C      -9.061144      4.002370      6.113374
  C     -10.069077      4.435718      5.217546
  C     -10.435244      3.639135      4.155137
  C      -9.808555      2.387543      3.946263
  C      -8.835577      1.928471      4.808914
  C      -8.445949      2.717640      5.921433
  H      -3.258304      3.785395      8.237933
  H      -4.368808      2.948875      7.137998
  H      -3.466953      5.853701      6.719648
  H      -4.912318      5.341249      7.652618
  H      -8.793996      6.402051      3.386366
  H      -7.076744      6.071466     -0.842030
  H      -4.831231      5.517394     -1.800900
  H      -2.906015      5.089729     -0.283214
  H      -3.179061      5.230675      2.165556
  H      -2.068258     -1.179015      4.572618
  H      -0.411392     -1.407123      4.002089
  H      -2.343261     -1.542365      2.279975
  H      -0.864112     -0.648167      1.829686
  H      -7.405433      3.149870      2.729325
  H      -6.986562      2.775169     -1.783014
  H      -5.191008      2.030375     -3.369620
  H      -3.049138      1.126398     -2.456028
  H      -2.723482      0.913893     -0.025716
  H      -4.435114     -0.554790      5.813428
  H      -3.637146     -1.631262      6.987397
  H      -5.843900     -1.104019      7.792156
  H      -4.677910     -0.261381      8.867981
  H      -7.431882      5.047685      8.746991
  H     -10.519142      5.413731      5.391909
  H     -11.202023      3.978284      3.456571
  H     -10.088512      1.785102      3.080994
  H      -8.352457      0.970048      4.635875
  N      -1.769659      3.261538      3.403754
  H      -2.212674      2.938128      2.540648
  H      -0.785645      3.433047      3.190690
  H      -2.200637      4.158591      3.648576
99
Coordinates from ORCA-job orca E -6653.002572560247
  N      -2.479504      3.346409      6.330405
  Mo     -2.342306      1.585700      5.444416
  N      -2.857772      0.337912      6.863952
  C      -1.948395      0.095061      7.993734
  C      -1.035661      1.298237      8.198534
  N      -0.479066      1.775860      6.904733
  C      -0.086704      3.208329      6.973918
  C      -1.254661      4.123588      6.508137
  C       0.607534      0.907478      6.392466
  C       0.489061      0.858552      4.865681
  N      -0.899947      0.584566      4.552046
  H      -0.977539      4.614114      5.562733
  H      -1.416287      4.932835      7.238933
  H       0.786575      3.358606      6.325962
  H       0.229652      3.449156      8.002604
  H       1.158726      0.087415      4.450183
  H       0.799609      1.829638      4.437053
  H       0.453819     -0.104036      6.791530
  H       1.594182      1.268502      6.731308
  H      -2.500534     -0.072075      8.935518
  H      -1.359520     -0.827497      7.811007
  H      -1.627527      2.125191      8.611948
  H      -0.225579      1.064575      8.913529
  C      -3.600621      3.715892      7.186749
  C      -4.234500      5.063170      6.851096
  O      -5.060854      5.013386      5.665666
  C      -4.554440      5.530710      4.531536
  O      -3.386059      5.875378      4.392968
  C      -5.606775      5.710915      3.473994
  N      -6.839684      5.958791      3.915548
  C      -7.778744      6.234066      2.982213
  N      -7.630354      6.257665      1.669096
  C      -6.385512      5.955395      1.198179
  C      -6.184421      5.896948     -0.201961
  C      -4.946106      5.574556     -0.712914
  C      -3.859960      5.320901      0.157167
  C      -4.018158      5.389530      1.525216
  C      -5.286075      5.691941      2.084270
  C      -1.277966     -0.699426      3.957072
  C      -1.733539     -0.616093      2.484253
  O      -2.460015      0.555320      2.063629
  C      -3.594399      0.985158      2.715268
  O      -3.597499      0.960417      4.017046
  C      -4.621749      1.616922      1.974810
  N      -5.608978      2.188278      2.744375
  C      -6.653908      2.712752      2.108308
  N      -6.911124      2.745886      0.799710
  C      -5.915493      2.253959     -0.004473
  C      -6.098908      2.333543     -1.405582
  C      -5.111811      1.913472     -2.280661
  C      -3.904347      1.405528     -1.774381
  C      -3.703754      1.300847     -0.402019
  C      -4.698494      1.699332      0.519036
  C      -3.980537     -0.597200      6.819257
  C      -5.070552     -0.326307      7.852321
  O      -5.697351      0.962093      7.635748
  C      -6.853547      0.961897      6.939527
  O      -7.363174     -0.029857      6.449510
  C      -7.468525      2.344994      6.895148
  N      -7.116685      3.175214      7.869731
  C      -7.747030      4.375414      7.914028
  N      -8.690179      4.814565      7.104882
  C      -9.040279      3.988829      6.077988
  C     -10.030940      4.423651      5.163961
  C     -10.390437      3.620308      4.104425
  C      -9.774885      2.359725      3.917478
  C      -8.817343      1.899968      4.796747
  C      -8.433179      2.697483      5.905280
  H      -3.282273      3.774705      8.249204
  H      -4.380503      2.943512      7.134136
  H      -3.477645      5.850621      6.736392
  H      -4.929143      5.334323      7.657484
  H      -8.774990      6.462963      3.372571
  H      -7.043545      6.086001     -0.845992
  H      -4.800206      5.501504     -1.791342
  H      -2.886043      5.063657     -0.262583
  H      -3.168013      5.221984      2.182897
  H      -2.078676     -1.163640      4.553397
  H      -0.421508     -1.396860      3.986799
  H      -2.330377     -1.515865      2.251286
  H      -0.857023     -0.601941      1.821851
  H      -7.410090      3.175468      2.751938
  H      -7.041052      2.755543     -1.761136
  H      -5.266733      1.985789     -3.359166
  H      -3.117700      1.083953     -2.459750
  H      -2.764632      0.900242     -0.030683
  H      -4.430917     -0.559905      5.816605
  H      -3.628110     -1.634788      6.988436
  H      -5.833559     -1.114980      7.801990
  H      -4.667053     -0.265628      8.871835
  H      -7.442988      5.040383      8.728719
  H     -10.473930      5.407424      5.322966
  H     -11.143325      3.960358      3.391421
  H     -10.049924      1.751194      3.054938
  H      -8.341737      0.935141      4.639864
  N      -1.771185      3.273490      3.425630
  H      -2.238532      2.965211      2.569653
  H      -0.787549      3.422115      3.194882
  H      -2.178418      4.177865      3.683808
99
Coordinates from ORCA-job orca E -6653.002993703011
  N      -2.475807      3.346555      6.348032
  Mo     -2.341723      1.592715      5.446820
  N      -2.854965      0.338167      6.864657
  C      -1.944093      0.095287      7.993887
  C      -1.031110      1.298222      8.200571
  N      -0.473435      1.775110      6.906690
  C      -0.076640      3.205475      6.974297
  C      -1.254498      4.125449      6.541353
  C       0.611622      0.904668      6.394486
  C       0.491964      0.855308      4.867811
  N      -0.897714      0.589925      4.552884
  H      -0.982768      4.644066      5.609106
  H      -1.418764      4.913080      7.294875
  H       0.778407      3.354202      6.302372
  H       0.268759      3.441107      7.994993
  H       1.156983      0.080185      4.452227
  H       0.810109      1.824292      4.439423
  H       0.457595     -0.105914      6.795543
  H       1.598702      1.265745      6.731886
  H      -2.496287     -0.074048      8.935178
  H      -1.354467     -0.826592      7.810001
  H      -1.622996      2.125614      8.613206
  H      -0.221092      1.064573      8.915571
  C      -3.607611      3.715603      7.191069
  C      -4.235596      5.065396      6.854295
  O      -5.058763      5.023106      5.665611
  C      -4.547799      5.543807      4.535528
  O      -3.377560      5.883115      4.399623
  C      -5.596727      5.736328      3.476658
  N      -6.827445      5.998887      3.915940
  C      -7.761880      6.281159      2.979481
  N      -7.611303      6.296532      1.666603
  C      -6.368827      5.979766      1.198779
  C      -6.165941      5.910809     -0.200601
  C      -4.929841      5.573244     -0.707377
  C      -3.847537      5.315078      0.165981
  C      -4.007750      5.393388      1.533255
  C      -5.273675      5.710237      2.087892
  C      -1.282084     -0.687912      3.947753
  C      -1.728044     -0.591645      2.473756
  O      -2.460027      0.579224      2.061194
  C      -3.594351      1.004292      2.715211
  O      -3.594579      0.984463      4.017659
  C      -4.628916      1.632548      1.981094
  N      -5.605250      2.213839      2.756725
  C      -6.653678      2.740022      2.128332
  N      -6.925149      2.766717      0.822498
  C      -5.942737      2.260109      0.011313
  C      -6.142627      2.326665     -1.388235
  C      -5.170160      1.888885     -2.270873
  C      -3.960884      1.375680     -1.774300
  C      -3.744039      1.284324     -0.403530
  C      -4.723515      1.701695      0.525526
  C      -3.977436     -0.597544      6.821348
  C      -5.065285     -0.329877      7.857430
  O      -5.699360      0.954997      7.638768
  C      -6.859088      0.945759      6.948105
  O      -7.369897     -0.051735      6.471168
  C      -7.473979      2.328097      6.888063
  N      -7.122871      3.168969      7.853556
  C      -7.748108      4.372678      7.878726
  N      -8.680447      4.808003      7.055622
  C      -9.029260      3.970648      6.037626
  C     -10.007058      4.401618      5.108269
  C     -10.367795      3.584544      4.059754
  C      -9.767288      2.312990      3.900550
  C      -8.820244      1.858035      4.793477
  C      -8.433028      2.671183      5.889560
  H      -3.301491      3.768746      8.257443
  H      -4.387770      2.944214      7.127361
  H      -3.475469      5.850185      6.743182
  H      -4.931963      5.338227      7.658420
  H      -8.756523      6.523310      3.366169
  H      -7.021974      6.104443     -0.847321
  H      -4.782975      5.491913     -1.785054
  H      -2.875283      5.046331     -0.250287
  H      -3.159818      5.221530      2.192332
  H      -2.088096     -1.150973      4.537822
  H      -0.430702     -1.391736      3.976157
  H      -2.315214     -1.494085      2.226394
  H      -0.846446     -0.563055      1.818530
  H      -7.400144      3.211107      2.776687
  H      -7.085970      2.752092     -1.736743
  H      -5.338284      1.950877     -3.348005
  H      -3.185582      1.039707     -2.465578
  H      -2.803586      0.880727     -0.039087
  H      -4.429186     -0.559520      5.819272
  H      -3.623573     -1.635164      6.988098
  H      -5.824974     -1.121945      7.812840
  H      -4.658080     -0.264061      8.875098
  H      -7.447367      5.045327      8.688201
  H     -10.440376      5.392571      5.247634
  H     -11.110308      3.921281      3.334511
  H     -10.043957      1.692479      3.047173
  H      -8.354896      0.885228      4.657093
  N      -1.762742      3.281543      3.448542
  H      -2.246693      2.983128      2.598130
  H      -0.779304      3.410769      3.206092
  H      -2.151714      4.191758      3.713772
99
Coordinates from ORCA-job orca E -6653.003369907208
  N      -2.471311      3.347097      6.368168
  Mo     -2.341622      1.600821      5.451179
  N      -2.852104      0.340008      6.867438
  C      -1.938252      0.095965      7.994817
  C      -1.023234      1.297513      8.201775
  N      -0.466771      1.773795      6.906889
  C      -0.065251      3.202064      6.972276
  C      -1.252981      4.127053      6.575660
  C       0.615389      0.900938      6.392367
  C       0.492194      0.852134      4.865907
  N      -0.899030      0.595989      4.552384
  H      -0.989426      4.675282      5.657737
  H      -1.417836      4.890938      7.353214
  H       0.769735      3.349871      6.275521
  H       0.310740      3.432410      7.983514
  H       1.151539      0.072966      4.448871
  H       0.817349      1.819089      4.437611
  H       0.460609     -0.108937      6.794709
  H       1.603798      1.260779      6.727135
  H      -2.489014     -0.074451      8.936721
  H      -1.349569     -0.826150      7.808993
  H      -1.613477      2.125750      8.615227
  H      -0.212158      1.062652      8.915090
  C      -3.612499      3.715370      7.199297
  C      -4.234500      5.067677      6.862275
  O      -5.051303      5.031628      5.668295
  C      -4.534701      5.556013      4.542885
  O      -3.362958      5.892062      4.411616
  C      -5.579979      5.759634      3.482358
  N      -6.807944      6.037641      3.919795
  C      -7.738032      6.327571      2.980884
  N      -7.586222      6.334962      1.668250
  C      -6.346960      6.002624      1.202804
  C      -6.143536      5.923913     -0.195968
  C      -4.910626      5.570236     -0.699643
  C      -3.831798      5.306001      0.176026
  C      -3.992650      5.393568      1.542678
  C      -5.255659      5.725911      2.094168
  C      -1.290930     -0.674575      3.935719
  C      -1.730094     -0.562497      2.461632
  O      -2.467645      0.609310      2.060947
  C      -3.601065      1.027817      2.720048
  O      -3.596505      1.010703      4.022490
  C      -4.643961      1.652239      1.993245
  N      -5.610594      2.241481      2.774578
  C      -6.663322      2.767865      2.153363
  N      -6.948409      2.786935      0.850336
  C      -5.978186      2.267196      0.032904
  C      -6.194189      2.319615     -1.364863
  C      -5.235055      1.865931     -2.253976
  C      -4.023126      1.350456     -1.766283
  C      -3.790397      1.273389     -0.397345
  C      -4.755898      1.707825      0.538482
  C      -3.974255     -0.596409      6.827805
  C      -5.059550     -0.329003      7.866476
  O      -5.700068      0.951751      7.641761
  C      -6.862932      0.931117      6.956218
  O      -7.374544     -0.073826      6.496007
  C      -7.477952      2.311832      6.875285
  N      -7.130800      3.165961      7.830456
  C      -7.752451      4.371941      7.832380
  N      -8.672881      4.799861      6.992468
  C      -9.016792      3.948354      5.984491
  C      -9.980164      4.371366      5.036726
  C     -10.338169      3.538166      4.000024
  C      -9.750116      2.257326      3.872244
  C      -8.815426      1.810811      4.782204
  C      -8.429381      2.641919      5.865271
  H      -3.317556      3.762505      8.269119
  H      -4.393301      2.945436      7.124639
  H      -3.471452      5.850452      6.757170
  H      -4.934717      5.340812      7.662882
  H      -8.730388      6.583240      3.364873
  H      -6.996785      6.123165     -0.844612
  H      -4.763853      5.480971     -1.776687
  H      -2.861995      5.024896     -0.237694
  H      -3.146758      5.216561      2.202601
  H      -2.101586     -1.137033      4.519911
  H      -0.444942     -1.385130      3.960109
  H      -2.309035     -1.466159      2.199294
  H      -0.844964     -0.518935      1.811942
  H      -7.400774      3.247226      2.805779
  H      -7.139338      2.746143     -1.707061
  H      -5.415939      1.916846     -3.329594
  H      -3.258323      1.001533     -2.462763
  H      -2.848034      0.868688     -0.039070
  H      -4.427951     -0.560018      5.826497
  H      -3.619048     -1.633678      6.994576
  H      -5.816046     -1.124405      7.829535
  H      -4.648479     -0.255692      8.882031
  H      -7.457701      5.054624      8.635567
  H     -10.405773      5.368508      5.153404
  H     -11.069117      3.868537      3.260329
  H     -10.025202      1.622968      3.028645
  H      -8.358595      0.831074      4.669385
  N      -1.754434      3.292389      3.471399
  H      -2.254313      3.004182      2.626509
  H      -0.771791      3.402791      3.217196
  H      -2.125015      4.208133      3.743696
99
Coordinates from ORCA-job orca E -6653.003737789636
  N      -2.464378      3.347758      6.388903
  Mo     -2.339697      1.608899      5.456345
  N      -2.848457      0.342444      6.871090
  C      -1.931597      0.095733      7.996097
  C      -1.013896      1.295235      8.203879
  N      -0.458752      1.771585      6.908101
  C      -0.052505      3.197775      6.972101
  C      -1.248889      4.127514      6.612233
  C       0.620512      0.896488      6.390542
  C       0.493238      0.848359      4.864223
  N      -0.899521      0.601089      4.552463
  H      -0.992896      4.706587      5.710791
  H      -1.414428      4.865536      7.414363
  H       0.762367      3.345541      6.251967
  H       0.352928      3.422284      7.973401
  H       1.146896      0.065252      4.445571
  H       0.825025      1.813277      4.435864
  H       0.465102     -0.112837      6.793895
  H       1.610274      1.255016      6.722620
  H      -2.480813     -0.076155      8.938641
  H      -1.344509     -0.826903      7.807531
  H      -1.601996      2.124329      8.618843
  H      -0.201676      1.058346      8.915127
  C      -3.614698      3.716736      7.207537
  C      -4.228576      5.072289      6.869349
  O      -5.040037      5.043180      5.670965
  C      -4.517730      5.569645      4.549601
  O      -3.343826      5.899431      4.421436
  C      -5.559858      5.784368      3.487890
  N      -6.784436      6.077922      3.924423
  C      -7.711388      6.373963      2.983844
  N      -7.559749      6.372460      1.671291
  C      -6.324060      6.024896      1.207260
  C      -6.121704      5.935161     -0.190994
  C      -4.892556      5.565377     -0.692503
  C      -3.816142      5.296386      0.184574
  C      -3.976080      5.394260      1.550666
  C      -5.235616      5.742068      2.100010
  C      -1.299405     -0.662107      3.924750
  C      -1.733212     -0.534481      2.451137
  O      -2.475822      0.638523      2.062109
  C      -3.607781      1.051485      2.726288
  O      -3.596573      1.037910      4.029103
  C      -4.658745      1.672576      2.007613
  N      -5.613987      2.270273      2.795985
  C      -6.671003      2.798476      2.183690
  N      -6.971182      2.811517      0.884012
  C      -6.014754      2.278301      0.059066
  C      -6.248407      2.318674     -1.336267
  C      -5.304403      1.848916     -2.233157
  C      -4.090054      1.328912     -1.756253
  C      -3.839870      1.264254     -0.389823
  C      -4.789584      1.715861      0.554043
  C      -3.971218     -0.593430      6.834543
  C      -5.054380     -0.324929      7.874846
  O      -5.701686      0.951177      7.641637
  C      -6.867413      0.917763      6.960729
  O      -7.379040     -0.095362      6.518652
  C      -7.483244      2.295943      6.856564
  N      -7.139003      3.165452      7.798808
  C      -7.757817      4.372825      7.775994
  N      -8.668337      4.790416      6.920482
  C      -9.008583      3.922518      5.925187
  C      -9.959552      4.334404      4.960242
  C     -10.316203      3.483091      3.937823
  C      -9.739909      2.194168      3.842765
  C      -8.815455      1.759150      4.768588
  C      -8.429107      2.610112      5.836189
  H      -3.331105      3.758178      8.280709
  H      -4.396917      2.949077      7.122243
  H      -3.461338      5.851595      6.768899
  H      -4.931467      5.347777      7.666771
  H      -8.701042      6.642540      3.366043
  H      -6.972954      6.139039     -0.840821
  H      -4.747113      5.467244     -1.768960
  H      -2.849259      5.002891     -0.227331
  H      -3.131596      5.212702      2.210882
  H      -2.114210     -1.123840      4.503818
  H      -0.458757     -1.379237      3.944605
  H      -2.305054     -1.438632      2.174795
  H      -0.845239     -0.477215      1.806317
  H      -7.397936      3.286362      2.841220
  H      -7.195141      2.748107     -1.670530
  H      -5.499257      1.890366     -3.306732
  H      -3.337120      0.966844     -2.458903
  H      -2.895740      0.856878     -0.039351
  H      -4.426286     -0.558437      5.833752
  H      -3.615648     -1.630630      7.001709
  H      -5.807451     -1.123808      7.846365
  H      -4.640067     -0.242481      8.888354
  H      -7.467968      5.067476      8.570615
  H     -10.377991      5.337017      5.053175
  H     -11.037149      3.804730      3.184647
  H     -10.014494      1.544401      3.010852
  H      -8.366619      0.773299      4.680367
  N      -1.742016      3.303334      3.494225
  H      -2.256557      3.024935      2.654730
  H      -0.760442      3.395302      3.229212
  H      -2.094328      4.224375      3.772662
99
Coordinates from ORCA-job orca E -6653.004107058478
  N      -2.455749      3.348551      6.410454
  Mo     -2.337576      1.617187      5.462618
  N      -2.844884      0.345653      6.875911
  C      -1.924232      0.095268      7.997671
  C      -1.002562      1.291819      8.205466
  N      -0.449903      1.768199      6.908295
  C      -0.038439      3.192162      6.970912
  C      -1.242345      4.126783      6.649307
  C       0.625563      0.890544      6.386569
  C       0.492966      0.843587      4.860563
  N      -0.901702      0.605663      4.552149
  H      -0.994436      4.737030      5.765887
  H      -1.407145      4.837149      7.476323
  H       0.755723      3.340412      6.228114
  H       0.396090      3.410575      7.961444
  H       1.140269      0.056447      4.439597
  H       0.831081      1.806420      4.431961
  H       0.469163     -0.118292      6.790629
  H       1.617149      1.247032      6.715321
  H      -2.471121     -0.077536      8.941415
  H      -1.339897     -0.828466      7.805737
  H      -1.587401      2.122085      8.622843
  H      -0.188612      1.052002      8.913649
  C      -3.614351      3.719202      7.216976
  C      -4.219204      5.078544      6.878302
  O      -5.025208      5.056690      5.675520
  C      -4.497579      5.585004      4.557961
  O      -3.321768      5.909189      4.432683
  C      -5.537137      5.809839      3.495529
  N      -6.758081      6.118223      3.931732
  C      -7.682707      6.419304      2.990032
  N      -7.532289      6.408516      1.677510
  C      -6.300455      6.046452      1.214288
  C      -6.100244      5.945420     -0.183502
  C      -4.875168      5.560221     -0.683514
  C      -3.800313      5.287679      0.194275
  C      -3.958247      5.396273      1.559826
  C      -5.214048      5.758658      2.107771
  C      -1.310313     -0.649514      3.913234
  C      -1.740288     -0.505428      2.440747
  O      -2.487138      0.669676      2.064763
  C      -3.617085      1.076810      2.735193
  O      -3.599345      1.065347      4.037808
  C      -4.676286      1.694842      2.024903
  N      -5.620525      2.300235      2.820067
  C      -6.681828      2.830143      2.216493
  N      -6.996581      2.837129      0.920282
  C      -6.053617      2.291086      0.088291
  C      -6.304572      2.319542     -1.304334
  C      -5.375289      1.834391     -2.208330
  C      -4.158619      1.310261     -1.741843
  C      -3.891340      1.257775     -0.378218
  C      -4.825594      1.726045      0.572964
  C      -3.968710     -0.589119      6.843531
  C      -5.049699     -0.317220      7.885001
  O      -5.703443      0.953632      7.640490
  C      -6.871786      0.906084      6.964159
  O      -7.383281     -0.115922      6.542635
  C      -7.488262      2.280964      6.833258
  N      -7.147234      3.168160      7.760107
  C      -7.763454      4.376096      7.709487
  N      -8.664192      4.780400      6.837561
  C      -9.000266      3.893790      5.857331
  C      -9.938780      4.291181      4.874301
  C     -10.293837      3.419332      3.868697
  C      -9.728778      2.123376      3.809547
  C      -8.814615      1.703043      4.752187
  C      -8.428485      2.576158      5.802008
  H      -3.341515      3.754644      8.293197
  H      -4.398700      2.954724      7.121108
  H      -3.447416      5.853970      6.782798
  H      -4.924674      5.356446      7.672591
  H      -8.669477      6.699923      3.371133
  H      -6.950103      6.152989     -0.833969
  H      -4.731915      5.452897     -1.759391
  H      -2.836541      4.982498     -0.216378
  H      -3.114620      5.211281      2.219928
  H      -2.128896     -1.110460      4.487676
  H      -0.475222     -1.373325      3.927318
  H      -2.306534     -1.408926      2.150734
  H      -0.850323     -0.435248      1.799885
  H      -7.398546      3.326337      2.878765
  H      -7.252835      2.751506     -1.630977
  H      -5.583731      1.866526     -3.279660
  H      -3.417398      0.935458     -2.450222
  H      -2.945551      0.847769     -0.035296
  H      -4.425200     -0.556587      5.843250
  H      -3.613424     -1.626211      7.012529
  H      -5.799356     -1.119499      7.866589
  H      -4.632140     -0.223587      8.896177
  H      -7.478734      5.084793      8.493451
  H     -10.350308      5.298699      4.940836
  H     -11.004802      3.729640      3.101472
  H     -10.002589      1.456292      2.991240
  H      -8.373462      0.711753      4.691096
  N      -1.728434      3.315064      3.517170
  H      -2.257205      3.046849      2.683139
  H      -0.748355      3.388667      3.241386
  H      -2.062063      4.241204      3.801504
99
Coordinates from ORCA-job orca E -6653.004466519626
  N      -2.445826      3.349558      6.432880
  Mo     -2.335023      1.625559      5.470108
  N      -2.840809      0.349178      6.882191
  C      -1.916059      0.094155      8.000106
  C      -0.989893      1.287278      8.207889
  N      -0.440390      1.764137      6.909194
  C      -0.023679      3.185991      6.970677
  C      -1.234037      4.125133      6.687392
  C       0.630970      0.883985      6.382266
  C       0.492151      0.838538      4.856513
  N      -0.904541      0.609935      4.551966
  H      -0.993582      4.765906      5.823257
  H      -1.397536      4.806827      7.538603
  H       0.749380      3.335264      6.206152
  H       0.439291      3.398131      7.949769
  H       1.132886      0.047485      4.432793
  H       0.836261      1.799321      4.427610
  H       0.473766     -0.124506      6.786795
  H       1.624584      1.238209      6.707237
  H      -2.460266     -0.079819      8.945217
  H      -1.334962     -0.830824      7.804073
  H      -1.570879      2.118715      8.628448
  H      -0.173898      1.043907      8.912394
  C      -3.612127      3.723005      7.227407
  C      -4.206857      5.086327      6.887625
  O      -5.007413      5.071283      5.680632
  C      -4.474634      5.600947      4.566613
  O      -3.296972      5.919390      4.443751
  C      -5.511912      5.834952      3.503554
  N      -6.729111      6.157243      3.939727
  C      -7.652056      6.462272      2.997237
  N      -7.503517      6.441974      1.684730
  C      -6.275507      6.066357      1.221996
  C      -6.078102      5.953841     -0.175307
  C      -4.857127      5.554212     -0.674189
  C      -3.783213      5.279257      0.203926
  C      -3.938509      5.398672      1.568921
  C      -5.190546      5.774667      2.115860
  C      -1.322817     -0.636915      3.902066
  C      -1.750731     -0.476232      2.431327
  O      -2.501474      0.701260      2.068907
  C      -3.628669      1.103163      2.746436
  O      -3.601881      1.094252      4.049191
  C      -4.696306      1.718604      2.045984
  N      -5.628677      2.331252      2.849148
  C      -6.694761      2.863200      2.255743
  N      -7.025307      2.865147      0.963460
  C      -6.096610      2.307046      0.123413
  C      -6.365960      2.325156     -1.265947
  C      -5.452255      1.825691     -2.177979
  C      -4.233037      1.296904     -1.723375
  C      -3.947573      1.255091     -0.363136
  C      -4.865454      1.738916      0.596180
  C      -3.966046     -0.584025      6.853943
  C      -5.045174     -0.307185      7.895728
  O      -5.705078      0.957927      7.637222
  C      -6.875604      0.895292      6.965121
  O      -7.387036     -0.135865      6.566174
  C      -7.491935      2.266277      6.803874
  N      -7.154017      3.172990      7.712806
  C      -7.767284      4.380848      7.631346
  N      -8.658087      4.769366      6.742316
  C      -8.990080      3.861998      5.779711
  C      -9.916274      4.241819      4.778219
  C     -10.270297      3.347350      3.792225
  C      -9.716670      2.045359      3.772078
  C      -8.812640      1.642581      4.731998
  C      -8.426357      2.539879      5.761376
  H      -3.349886      3.752748      8.306491
  H      -4.399161      2.962348      7.121323
  H      -3.430032      5.857255      6.796498
  H      -4.914597      5.367705      7.678707
  H      -8.635963      6.753761      3.377552
  H      -6.927041      6.164173     -0.826093
  H      -4.716551      5.437579     -1.749459
  H      -2.822548      4.963219     -0.205763
  H      -3.095342      5.211122      2.228716
  H      -2.144628     -1.096953      4.472734
  H      -0.493417     -1.367438      3.909401
  H      -2.312488     -1.378463      2.128547
  H      -0.859553     -0.394115      1.793487
  H      -7.400555      3.367182      2.923637
  H      -7.315863      2.760180     -1.583736
  H      -5.675123      1.849810     -3.246613
  H      -3.504194      0.910198     -2.438165
  H      -2.999908      0.842125     -0.028940
  H      -4.423682     -0.554345      5.854034
  H      -3.611511     -1.621037      7.025441
  H      -5.791460     -1.112674      7.888432
  H      -4.624865     -0.200673      8.904469
  H      -7.487497      5.105276      8.402573
  H     -10.320699      5.253660      4.815913
  H     -10.971450      3.643949      3.010740
  H      -9.990218      1.359252      2.969605
  H      -8.379476      0.646442      4.700516
  N      -1.714261      3.327307      3.540630
  H      -2.257617      3.069982      2.712506
  H      -0.736285      3.382455      3.253586
  H      -2.028456      4.258232      3.831287
99
Coordinates from ORCA-job orca E -6653.004840780142
  N      -2.435909      3.349819      6.456110
  Mo     -2.332953      1.633539      5.478044
  N      -2.837159      0.352416      6.888782
  C      -1.907352      0.091905      8.001875
  C      -0.976130      1.281235      8.209336
  N      -0.431297      1.759152      6.908569
  C      -0.009358      3.178870      6.968918
  C      -1.225713      4.121837      6.727570
  C       0.635972      0.877049      6.375770
  C       0.490168      0.833504      4.850574
  N      -0.908601      0.613897      4.551256
  H      -0.992961      4.794679      5.885536
  H      -1.387245      4.771366      7.604169
  H       0.740335      3.329845      6.181771
  H       0.483521      3.384341      7.934881
  H       1.124179      0.038764      4.423613
  H       0.839707      1.792339      4.421273
  H       0.478325     -0.131254      6.780488
  H       1.631554      1.229303      6.696721
  H      -2.448142     -0.083338      8.948759
  H      -1.330151     -0.834517      7.800931
  H      -1.552717      2.113645      8.634097
  H      -0.157262      1.033861      8.908958
  C      -3.610019      3.727042      7.237743
  C      -4.193965      5.094520      6.896397
  O      -4.989898      5.086119      5.685848
  C      -4.452161      5.615986      4.574897
  O      -3.272639      5.928296      4.454014
  C      -5.487401      5.858050      3.511293
  N      -6.700728      6.193629      3.947606
  C      -7.622513      6.501657      3.004547
  N      -7.476293      6.471544      1.692072
  C      -6.252151      6.083067      1.229652
  C      -6.057910      5.958829     -0.167108
  C      -4.840809      5.546075     -0.664949
  C      -3.767142      5.270561      0.213222
  C      -3.919513      5.400843      1.577595
  C      -5.168084      5.788851      2.123660
  C      -1.335933     -0.623995      3.889765
  C      -1.762377     -0.445594      2.421374
  O      -2.516792      0.734724      2.073991
  C      -3.641352      1.129953      2.758966
  O      -3.607428      1.122134      4.061189
  C      -4.718126      1.741193      2.067523
  N      -5.640485      2.358824      2.877695
  C      -6.711427      2.891510      2.293465
  N      -7.055711      2.889144      1.004884
  C      -6.139545      2.321036      0.157856
  C      -6.425398      2.329768     -1.228293
  C      -5.525298      1.818310     -2.147123
  C      -4.303590      1.286115     -1.703090
  C      -4.001797      1.253981     -0.346210
  C      -4.905253      1.751158      0.620008
  C      -3.964489     -0.578257      6.865942
  C      -5.041140     -0.293864      7.908099
  O      -5.706418      0.965279      7.634146
  C      -6.878454      0.887673      6.965391
  O      -7.388862     -0.152322      6.588384
  C      -7.495817      2.253622      6.775522
  N      -7.163116      3.178666      7.667928
  C      -7.775007      4.384938      7.557113
  N      -8.655470      4.757352      6.651070
  C      -8.980480      3.830932      5.704265
  C      -9.892844      4.193152      4.683588
  C     -10.242488      3.278010      3.715038
  C      -9.698560      1.972013      3.732430
  C      -8.806157      1.586742      4.710236
  C      -8.423153      2.506075      5.721430
  H      -3.358757      3.751436      8.319636
  H      -4.399985      2.970628      7.121364
  H      -3.411725      5.860333      6.808421
  H      -4.903309      5.380340      7.684501
  H      -8.603129      6.804634      3.384460
  H      -6.906322      6.170820     -0.818045
  H      -4.703163      5.420065     -1.739554
  H      -2.809322      4.944971     -0.195606
  H      -3.076417      5.212218      2.236989
  H      -2.160544     -1.083911      4.456617
  H      -0.511871     -1.360632      3.889345
  H      -2.320284     -1.345752      2.105369
  H      -0.870391     -0.351271      1.786279
  H      -7.407932      3.401806      2.966058
  H      -7.377022      2.766752     -1.538274
  H      -5.761012      1.835206     -3.213135
  H      -3.585683      0.889313     -2.423382
  H      -3.052174      0.839194     -0.019792
  H      -4.423457     -0.552155      5.866490
  H      -3.611754     -1.615329      7.041151
  H      -5.784496     -1.101994      7.913815
  H      -4.617388     -0.173010      8.913753
  H      -7.502028      5.124064      8.316703
  H     -10.291601      5.207844      4.693558
  H     -10.932416      3.561072      2.918762
  H      -9.969587      1.268349      2.944473
  H      -8.379916      0.587167      4.707382
  N      -1.699185      3.340103      3.564777
  H      -2.257264      3.094166      2.743031
  H      -0.723865      3.376039      3.265987
  H      -1.992733      4.275806      3.861420
99
Coordinates from ORCA-job orca E -6653.004650098225
  N      -2.406277      3.355923      6.501569
  Mo     -2.320755      1.656078      5.489079
  N      -2.838046      0.360483      6.887681
  C      -1.910906      0.078999      8.001796
  C      -0.966090      1.255365      8.226046
  N      -0.413623      1.742456      6.929594
  C       0.021642      3.158198      7.002755
  C      -1.194389      4.114199      6.806531
  C       0.648622      0.855438      6.390141
  C       0.503858      0.825309      4.863406
  N      -0.898335      0.627004      4.557873
  H      -0.959765      4.824860      5.995755
  H      -1.356064      4.724064      7.711733
  H       0.750845      3.312690      6.197173
  H       0.541618      3.345320      7.958578
  H       1.128128      0.025446      4.431411
  H       0.869867      1.782321      4.442679
  H       0.481978     -0.154625      6.786933
  H       1.646110      1.197324      6.716046
  H      -2.455897     -0.101640      8.945397
  H      -1.343487     -0.851856      7.792653
  H      -1.535142      2.089373      8.658241
  H      -0.150520      0.992308      8.923424
  C      -3.584266      3.735514      7.277533
  C      -4.158233      5.104018      6.930473
  O      -4.962083      5.086488      5.724420
  C      -4.425502      5.575969      4.594955
  O      -3.239153      5.848720      4.445750
  C      -5.479244      5.840379      3.554553
  N      -6.670132      6.203996      4.026345
  C      -7.613548      6.531771      3.111290
  N      -7.506334      6.500623      1.795496
  C      -6.304585      6.088301      1.295687
  C      -6.153709      5.966722     -0.106673
  C      -4.960244      5.531678     -0.641245
  C      -3.868133      5.227967      0.204109
  C      -3.979303      5.350761      1.573578
  C      -5.201737      5.766036      2.157145
  C      -1.331789     -0.599638      3.875841
  C      -1.747148     -0.394933      2.409103
  O      -2.504373      0.789376      2.076827
  C      -3.628932      1.178770      2.760014
  O      -3.602146      1.175873      4.062043
  C      -4.714862      1.773449      2.065303
  N      -5.633816      2.393837      2.873399
  C      -6.714280      2.910422      2.291987
  N      -7.071579      2.884043      1.007846
  C      -6.162785      2.302623      0.161735
  C      -6.468314      2.273354     -1.219783
  C      -5.578188      1.743725     -2.137831
  C      -4.346937      1.229601     -1.697757
  C      -4.026155      1.233771     -0.345290
  C      -4.918601      1.752127      0.620571
  C      -3.973915     -0.561110      6.860760
  C      -5.052579     -0.263606      7.895990
  O      -5.712064      0.994011      7.602201
  C      -6.881038      0.908210      6.926919
  O      -7.393589     -0.138793      6.571152
  C      -7.493068      2.270019      6.709901
  N      -7.160605      3.208911      7.588866
  C      -7.763049      4.416568      7.451296
  N      -8.629523      4.781326      6.528599
  C      -8.953119      3.841046      5.594579
  C      -9.847976      4.194907      4.555797
  C     -10.197541      3.265690      3.600106
  C      -9.671510      1.953613      3.650053
  C      -8.793359      1.577003      4.644413
  C      -8.410022      2.510691      5.642752
  H      -3.338103      3.757455      8.360614
  H      -4.377359      2.981850      7.158272
  H      -3.369607      5.861457      6.827250
  H      -4.860686      5.404576      7.719945
  H      -8.575205      6.856611      3.520354
  H      -7.015664      6.200885     -0.731896
  H      -4.856440      5.408745     -1.720135
  H      -2.930269      4.882447     -0.233700
  H      -3.124950      5.133424      2.207902
  H      -2.162651     -1.062815      4.431339
  H      -0.513556     -1.343023      3.868060
  H      -2.298358     -1.291175      2.070638
  H      -0.849918     -0.284547      1.783804
  H      -7.406592      3.427098      2.963234
  H      -7.428540      2.691921     -1.527437
  H      -5.829796      1.730869     -3.200288
  H      -3.636992      0.817527     -2.417411
  H      -3.070007      0.832530     -0.021197
  H      -4.426829     -0.534013      5.858753
  H      -3.631471     -1.601360      7.039895
  H      -5.799144     -1.068714      7.908257
  H      -4.631105     -0.134028      8.901542
  H      -7.492837      5.166063      8.201874
  H     -10.234840      5.214135      4.542021
  H     -10.873210      3.542348      2.789465
  H      -9.942628      1.237966      2.873006
  H      -8.380597      0.572239      4.666994
  N      -1.641069      3.395831      3.598145
  H      -2.201473      3.159778      2.774671
  H      -0.665027      3.412558      3.300836
  H      -1.917493      4.336361      3.897513
99
Coordinates from ORCA-job orca E -6653.001999948095
  N      -2.372725      3.353665      6.475267
  Mo     -2.293834      1.649334      5.489710
  N      -2.835422      0.379104      6.894114
  C      -1.917899      0.098785      8.013319
  C      -0.969796      1.270953      8.228478
  N      -0.413462      1.737009      6.929842
  C       0.032809      3.150203      6.985684
  C      -1.159582      4.098014      6.794458
  C       0.644588      0.838228      6.408958
  C       0.509309      0.794270      4.882885
  N      -0.895693      0.606545      4.569527
  H      -0.916744      4.810535      6.009277
  H      -1.315031      4.682014      7.699361
  H       0.750648      3.297875      6.186467
  H       0.554815      3.345313      7.923397
  H       1.130567     -0.014079      4.466554
  H       0.886989      1.741647      4.450565
  H       0.465593     -0.165027      6.815682
  H       1.644256      1.173558      6.740637
  H      -2.469153     -0.071114      8.957336
  H      -1.355099     -0.838667      7.814394
  H      -1.533803      2.111678      8.648758
  H      -0.157040      1.013755      8.929835
  C      -3.546664      3.736386      7.249685
  C      -4.116365      5.111877      6.913294
  O      -4.922104      5.102852      5.714549
  C      -4.390048      5.603392      4.582211
  O      -3.206493      5.880107      4.427291
  C      -5.447764      5.856783      3.552122
  N      -6.632340      6.212528      4.045741
  C      -7.594335      6.535591      3.156179
  N      -7.506075      6.505904      1.840693
  C      -6.307733      6.103679      1.316715
  C      -6.178622      5.990032     -0.083752
  C      -4.990128      5.569404     -0.641256
  C      -3.882431      5.275394      0.180177
  C      -3.972255      5.389159      1.547575
  C      -5.189661      5.788351      2.153763
  C      -1.349505     -0.610020      3.901897
  C      -1.773468     -0.412594      2.442152
  O      -2.523245      0.763872      2.097429
  C      -3.642982      1.159137      2.769900
  O      -3.601145      1.179926      4.080918
  C      -4.730729      1.749186      2.084279
  N      -5.640994      2.373864      2.919726
  C      -6.719981      2.912829      2.373824
  N      -7.080760      2.909486      1.100916
  C      -6.179892      2.330465      0.233502
  C      -6.487482      2.338136     -1.128831
  C      -5.605539      1.818469     -2.065258
  C      -4.378073      1.281874     -1.658216
  C      -4.053376      1.252537     -0.323536
  C      -4.940284      1.754532      0.654487
  C      -3.974618     -0.539890      6.866578
  C      -5.057898     -0.225802      7.893268
  O      -5.721633      1.024609      7.568508
  C      -6.892913      0.920938      6.890964
  O      -7.406839     -0.137550      6.567990
  C      -7.508177      2.271954      6.639928
  N      -7.179857      3.241023      7.492708
  C      -7.786702      4.440158      7.335685
  N      -8.657725      4.769318      6.423043
  C      -8.974660      3.797349      5.515729
  C      -9.869645      4.110751      4.484912
  C     -10.210601      3.151038      3.548452
  C      -9.673529      1.847690      3.609982
  C      -8.795830      1.508947      4.599944
  C      -8.423106      2.473967      5.578168
  H      -3.301522      3.750359      8.333245
  H      -4.341338      2.985631      7.127802
  H      -3.328378      5.873789      6.808581
  H      -4.819041      5.408774      7.709907
  H      -8.551138      6.851823      3.586546
  H      -7.053350      6.219856     -0.688267
  H      -4.902833      5.453752     -1.718702
  H      -2.949037      4.945156     -0.274087
  H      -3.108142      5.179247      2.170016
  H      -2.179814     -1.057234      4.459851
  H      -0.541118     -1.357175      3.895233
  H      -2.334566     -1.296522      2.108973
  H      -0.882951     -0.317754      1.820766
  H      -7.405341      3.431789      3.065193
  H      -7.441868      2.778613     -1.406889
  H      -5.859700      1.833255     -3.114643
  H      -3.673101      0.880543     -2.390306
  H      -3.097741      0.838044     -0.024769
  H      -4.421835     -0.525521      5.859937
  H      -3.634329     -1.579885      7.059212
  H      -5.801584     -1.034272      7.921775
  H      -4.638059     -0.072181      8.897982
  H      -7.515488      5.215370      8.058914
  H     -10.261829      5.125890      4.456544
  H     -10.884449      3.397932      2.741714
  H      -9.937587      1.106029      2.848797
  H      -8.377419      0.508023      4.635459
  N      -1.581626      3.366197      3.578253
  H      -2.138294      3.109180      2.777259
  H      -0.603282      3.378769      3.273430
  H      -1.851439      4.305157      3.853360
99
Coordinates from ORCA-job orca E -6652.999270825252
  N      -2.344701      3.356076      6.481254
  Mo     -2.271682      1.651283      5.501154
  N      -2.829511      0.397814      6.908433
  C      -1.914359      0.111520      8.021859
  C      -0.955219      1.273774      8.230553
  N      -0.395931      1.728286      6.933013
  C       0.058714      3.137575      6.980549
  C      -1.131426      4.101372      6.806373
  C       0.649980      0.820088      6.410262
  C       0.513312      0.774642      4.884329
  N      -0.895111      0.597241      4.576113
  H      -0.889690      4.838949      6.017179
  H      -1.287568      4.677039      7.737948
  H       0.776088      3.279599      6.169166
  H       0.594432      3.329028      7.923246
  H       1.127739     -0.040315      4.468683
  H       0.896670      1.718251      4.448738
  H       0.462646     -0.181736      6.818322
  H       1.655133      1.146319      6.738845
  H      -2.463363     -0.050692      8.968947
  H      -1.362798     -0.831454      7.822307
  H      -1.508580      2.121794      8.650368
  H      -0.145448      1.008731      8.932260
  C      -3.521483      3.731220      7.256259
  C      -4.098037      5.112592      6.939162
  O      -4.903340      5.119596      5.738251
  C      -4.368551      5.646618      4.604990
  O      -3.184682      5.941271      4.460609
  C      -5.422575      5.891585      3.567625
  N      -6.607413      6.240242      4.056159
  C      -7.571228      6.557906      3.167335
  N      -7.482292      6.519199      1.849658
  C      -6.283543      6.121852      1.328975
  C      -6.152320      5.995027     -0.074403
  C      -4.961826      5.581005     -0.629108
  C      -3.854664      5.307432      0.197868
  C      -3.947513      5.432800      1.568649
  C      -5.166096      5.822670      2.170784
  C      -1.358961     -0.613981      3.909966
  C      -1.785848     -0.409016      2.446022
  O      -2.537780      0.771176      2.103116
  C      -3.656666      1.163491      2.779043
  O      -3.612465      1.186865      4.091836
  C      -4.752932      1.753568      2.100433
  N      -5.660842      2.362360      2.952099
  C      -6.753055      2.899459      2.404632
  N      -7.130589      2.901240      1.105476
  C      -6.232174      2.337112      0.223364
  C      -6.565036      2.341397     -1.176709
  C      -5.688643      1.834447     -2.133600
  C      -4.440718      1.316905     -1.709224
  C      -4.089659      1.291809     -0.337731
  C      -4.974420      1.773394      0.656440
  C      -3.972207     -0.515614      6.892268
  C      -5.048300     -0.205575      7.930265
  O      -5.723876      1.040318      7.612729
  C      -6.906511      0.918393      6.944837
  O      -7.416150     -0.151105      6.634057
  C      -7.528418      2.264066      6.670222
  N      -7.201932      3.253250      7.498339
  C      -7.808634      4.451487      7.286556
  N      -8.675264      4.760538      6.329509
  C      -8.990182      3.766123      5.450442
  C      -9.876734      4.056331      4.363994
  C     -10.213349      3.073289      3.453923
  C      -9.679318      1.767941      3.592079
  C      -8.808778      1.451945      4.634248
  C      -8.440865      2.441762      5.584034
  H      -3.278850      3.737359      8.343805
  H      -4.314382      2.975864      7.123546
  H      -3.312868      5.886130      6.844650
  H      -4.805011      5.390822      7.745478
  H      -8.524282      6.871540      3.597438
  H      -7.026803      6.211546     -0.682872
  H      -4.871511      5.454779     -1.709526
  H      -2.918807      4.983526     -0.254991
  H      -3.087457      5.240877      2.202135
  H      -2.191777     -1.056141      4.467997
  H      -0.553982     -1.367272      3.902249
  H      -2.349985     -1.291817      2.110725
  H      -0.895938     -0.312953      1.818520
  H      -7.435686      3.403635      3.107983
  H      -7.532743      2.769778     -1.465037
  H      -5.962630      1.844800     -3.213627
  H      -3.740096      0.928119     -2.457630
  H      -3.119166      0.888805     -0.031126
  H      -4.428482     -0.503528      5.889962
  H      -3.630598     -1.555617      7.083940
  H      -5.787376     -1.019788      7.966291
  H      -4.619434     -0.050062      8.930080
  H      -7.535790      5.246527      7.983090
  H     -10.263902      5.074410      4.272319
  H     -10.879511      3.303304      2.603475
  H      -9.940172      1.007167      2.852748
  H      -8.391780      0.448247      4.726315
  N      -1.541421      3.354060      3.588083
  H      -2.124556      3.076789      2.776137
  H      -0.537299      3.346184      3.287640
  H      -1.809277      4.327203      3.864449
99
Coordinates from ORCA-job orca E -6652.999881135618
  N      -2.379762      3.368905      6.504033
  Mo     -2.301287      1.661841      5.499011
  N      -2.839260      0.382965      6.904156
  C      -1.911501      0.083892      8.012073
  C      -0.947134      1.242890      8.230353
  N      -0.399461      1.718031      6.929877
  C       0.052492      3.129512      6.991736
  C      -1.163660      4.117421      6.834323
  C       0.648738      0.816636      6.381709
  C       0.504670      0.788796      4.854662
  N      -0.900333      0.610989      4.550297
  H      -0.929871      4.872804      6.033769
  H      -1.325261      4.702431      7.782298
  H       0.771427      3.274354      6.156926
  H       0.608906      3.307618      7.948143
  H       1.117547     -0.021648      4.422563
  H       0.882461      1.740173      4.432514
  H       0.468384     -0.192976      6.776727
  H       1.651976      1.142725      6.705162
  H      -2.451664     -0.090353      8.957789
  H      -1.361408     -0.854187      7.795731
  H      -1.499036      2.087398      8.668125
  H      -0.131648      0.965401      8.922366
  C      -3.562121      3.744928      7.275619
  C      -4.126366      5.117329      6.933325
  O      -4.930533      5.126444      5.722508
  C      -4.401471      5.628299      4.600457
  O      -3.214986      5.901990      4.463783
  C      -5.463907      5.887630      3.549653
  N      -6.667544      6.248210      4.011864
  C      -7.612651      6.566191      3.084915
  N      -7.500731      6.523573      1.764024
  C      -6.293431      6.119291      1.275758
  C      -6.137322      5.986108     -0.130685
  C      -4.933686      5.557580     -0.659394
  C      -3.834786      5.270598      0.194418
  C      -3.952300      5.403351      1.567243
  C      -5.183909      5.810425      2.147651
  C      -1.346799     -0.613801      3.857102
  C      -1.772432     -0.384548      2.389365
  O      -2.541230      0.813728      2.083882
  C      -3.662339      1.198431      2.783736
  O      -3.626311      1.207427      4.087875
  C      -4.757628      1.783526      2.091449
  N      -5.676909      2.389657      2.878266
  C      -6.753414      2.899090      2.275145
  N      -7.109236      2.879458      0.989693
  C      -6.198594      2.314807      0.168384
  C      -6.500202      2.289835     -1.218337
  C      -5.607208      1.772635     -2.118409
  C      -4.376399      1.266051     -1.659718
  C      -4.057275      1.269036     -0.301243
  C      -4.955837      1.771346      0.648852
  C      -3.977803     -0.534509      6.887986
  C      -5.046611     -0.235845      7.933170
  O      -5.717658      1.009479      7.639002
  C      -6.889714      0.900767      6.977776
  O      -7.387834     -0.152406      6.639440
  C      -7.509829      2.251139      6.733157
  N      -7.182511      3.207673      7.582814
  C      -7.791061      4.409906      7.397359
  N      -8.659069      4.748758      6.445127
  C      -8.977617      3.787706      5.542719
  C      -9.870353      4.115188      4.472713
  C     -10.215188      3.166021      3.553885
  C      -9.683821      1.859218      3.660917
  C      -8.805880      1.508759      4.682242
  C      -8.428686      2.463340      5.648649
  H      -3.322223      3.754779      8.360059
  H      -4.360108      2.998757      7.141178
  H      -3.335615      5.863693      6.840880
  H      -4.823359      5.411205      7.718281
  H      -8.579263      6.886817      3.489294
  H      -7.003435      6.207387     -0.763413
  H      -4.824425      5.425392     -1.740604
  H      -2.886609      4.931123     -0.239930
  H      -3.098744      5.201519      2.209474
  H      -2.180668     -1.082892      4.416218
  H      -0.528842     -1.365240      3.833912
  H      -2.327257     -1.284127      2.042129
  H      -0.874914     -0.258638      1.745968
  H      -7.445157      3.405159      2.928365
  H      -7.458540      2.705340     -1.541988
  H      -5.855085      1.761809     -3.184460
  H      -3.664498      0.863197     -2.369531
  H      -3.099877      0.874078      0.036258
  H      -4.440052     -0.508237      5.892708
  H      -3.635841     -1.572964      7.063757
  H      -5.786514     -1.046309      7.963709
  H      -4.614508     -0.092823      8.928189
  H      -7.523311      5.181085      8.121239
  H     -10.256202      5.133308      4.409494
  H     -10.888372      3.422842      2.721968
  H      -9.952566      1.126765      2.912895
  H      -8.391624      0.507246      4.749915
  N      -1.589465      3.403246      3.620681
  H      -2.152497      3.163722      2.794168
  H      -0.630116      3.414883      3.330001
  H      -1.862550      4.342315      3.920329
99
Coordinates from ORCA-job orca E -6653.000652621154
  N      -2.387873      3.369594      6.497164
  Mo     -2.300428      1.662271      5.492075
  N      -2.843731      0.378543      6.894507
  C      -1.917954      0.078849      8.012463
  C      -0.957506      1.242941      8.237120
  N      -0.407145      1.722722      6.932824
  C       0.042837      3.137388      6.994777
  C      -1.170618      4.108815      6.831169
  C       0.651032      0.824493      6.392503
  C       0.514971      0.795996      4.864258
  N      -0.888698      0.615994      4.549875
  H      -0.936554      4.841993      6.047863
  H      -1.328809      4.684399      7.754555
  H       0.755265      3.282120      6.168647
  H       0.591201      3.323561      7.937471
  H       1.132663     -0.011588      4.437161
  H       0.893583      1.748067      4.443073
  H       0.470930     -0.184441      6.788270
  H       1.650375      1.153462      6.723290
  H      -2.463093     -0.099770      8.955488
  H      -1.361904     -0.857362      7.798383
  H      -1.515600      2.084183      8.672431
  H      -0.142090      0.971386      8.932026
  C      -3.572502      3.748178      7.269467
  C      -4.130531      5.123462      6.925643
  O      -4.930423      5.123205      5.710860
  C      -4.397945      5.618306      4.590170
  O      -3.216092      5.903908      4.440194
  C      -5.460444      5.874237      3.550861
  N      -6.646834      6.221603      4.021365
  C      -7.598107      6.538200      3.108960
  N      -7.506524      6.513439      1.800554
  C      -6.311264      6.120597      1.300881
  C      -6.173735      6.005709     -0.097449
  C      -4.986545      5.591357     -0.634014
  C      -3.883201      5.301120      0.202446
  C      -3.979390      5.415398      1.565190
  C      -5.196511      5.808941      2.154462
  C      -1.330791     -0.609856      3.854820
  C      -1.750231     -0.384771      2.394103
  O      -2.513759      0.810035      2.092002
  C      -3.635245      1.193174      2.790035
  O      -3.609516      1.208556      4.084747
  C      -4.730984      1.768262      2.091921
  N      -5.650053      2.404346      2.904456
  C      -6.722010      2.920525      2.322647
  N      -7.070852      2.884568      1.040680
  C      -6.165945      2.284027      0.183947
  C      -6.459923      2.244994     -1.196727
  C      -5.571948      1.693153     -2.123414
  C      -4.354280      1.168122     -1.693063
  C      -4.043084      1.184325     -0.344034
  C      -4.932819      1.727002      0.637425
  C      -3.983961     -0.542026      6.862192
  C      -5.063079     -0.234361      7.894004
  O      -5.728898      1.014068      7.584434
  C      -6.890299      0.913120      6.913458
  O      -7.388214     -0.137987      6.575488
  C      -7.513997      2.264637      6.678564
  N      -7.188062      3.219428      7.554369
  C      -7.796037      4.420778      7.420206
  N      -8.666358      4.767194      6.512985
  C      -8.982966      3.813067      5.578602
  C      -9.874988      4.153041      4.556031
  C     -10.218667      3.211028      3.595796
  C      -9.686461      1.900674      3.629094
  C      -8.810334      1.537942      4.605898
  C      -8.432639      2.485122      5.611471
  H      -3.337190      3.755322      8.354212
  H      -4.372573      3.006093      7.134511
  H      -3.334438      5.873089      6.833982
  H      -4.835182      5.421420      7.710887
  H      -8.557508      6.850331      3.521265
  H      -7.042003      6.228407     -0.717489
  H      -4.893077      5.472700     -1.708927
  H      -2.948821      4.973237     -0.238218
  H      -3.118318      5.206937      2.191056
  H      -2.165620     -1.077243      4.408792
  H      -0.516076     -1.358616      3.834432
  H      -2.304177     -1.278531      2.044042
  H      -0.855041     -0.261990      1.760452
  H      -7.413894      3.454121      2.998496
  H      -7.409591      2.674965     -1.499488
  H      -5.814803      1.672975     -3.182405
  H      -3.646925      0.738013     -2.421656
  H      -3.095983      0.776961     -0.025270
  H      -4.435408     -0.515535      5.858874
  H      -3.646210     -1.583093      7.042304
  H      -5.804607     -1.043153      7.919331
  H      -4.639674     -0.086501      8.896825
  H      -7.529410      5.183797      8.169793
  H     -10.260608      5.172982      4.547870
  H     -10.890584      3.476822      2.796762
  H      -9.955612      1.173796      2.847869
  H      -8.397004      0.534569      4.617643
  N      -1.591341      3.418871      3.610556
  H      -2.151361      3.177650      2.794436
  H      -0.626240      3.429537      3.315405
  H      -1.863236      4.352476      3.904161
99
Coordinates from ORCA-job orca E -6653.000273680845
  N      -2.350976      3.361259      6.491627
  Mo     -2.277757      1.656790      5.497678
  N      -2.834888      0.391924      6.902858
  C      -1.914713      0.096805      8.016723
  C      -0.949938      1.257874      8.233252
  N      -0.395229      1.722709      6.930051
  C       0.059143      3.135081      6.981573
  C      -1.132982      4.090487      6.821219
  C       0.653628      0.817346      6.398752
  C       0.514269      0.778222      4.871773
  N      -0.893375      0.602114      4.561932
  H      -0.894849      4.812649      6.053571
  H      -1.282452      4.649859      7.734592
  H       0.763144      3.278563      6.167495
  H       0.597254      3.325854      7.910571
  H       1.126818     -0.035101      4.450674
  H       0.897309      1.724144      4.441407
  H       0.467895     -0.186376      6.801972
  H       1.657246      1.144261      6.727548
  H      -2.462575     -0.072702      8.962835
  H      -1.363931     -0.845227      7.808674
  H      -1.501377      2.103775      8.661651
  H      -0.136379      0.986942      8.930054
  C      -3.530001      3.747759      7.262206
  C      -4.091836      5.128367      6.929791
  O      -4.894258      5.121207      5.728157
  C      -4.357016      5.616545      4.596495
  O      -3.175943      5.895970      4.436049
  C      -5.419717      5.869674      3.573865
  N      -6.601830      6.238996      4.086214
  C      -7.571590      6.565748      3.211747
  N      -7.491893      6.526772      1.888636
  C      -6.289727      6.105935      1.338351
  C      -6.165422      5.979186     -0.075787
  C      -4.975725      5.543324     -0.657178
  C      -3.862705      5.247174      0.153517
  C      -3.947321      5.373728      1.534989
  C      -5.166508      5.788540      2.164321
  C      -1.356154     -0.606000      3.886674
  C      -1.779548     -0.387028      2.431538
  O      -2.524900      0.797915      2.109137
  C      -3.645408      1.182154      2.792149
  O      -3.606210      1.203284      4.089481
  C      -4.747001      1.761095      2.109406
  N      -5.664734      2.364264      2.948412
  C      -6.761534      2.895208      2.408348
  N      -7.131345      2.900268      1.135731
  C      -6.223836      2.338571      0.257762
  C      -6.539694      2.354707     -1.105159
  C      -5.648503      1.859335     -2.041714
  C      -4.403299      1.338203     -1.633816
  C      -4.072001      1.297406     -0.305100
  C      -4.965523      1.776247      0.677006
  C      -3.980334     -0.518098      6.880277
  C      -5.055786     -0.193494      7.912001
  O      -5.723958      1.055794      7.576135
  C      -6.908417      0.925658      6.910687
  O      -7.427082     -0.156141      6.619332
  C      -7.532738      2.272189      6.618282
  N      -7.203558      3.266270      7.429904
  C      -7.810369      4.459679      7.223473
  N      -8.680167      4.763884      6.293966
  C      -8.998035      3.767692      5.428567
  C      -9.887254      4.055114      4.373124
  C     -10.230018      3.068903      3.475311
  C      -9.699068      1.766166      3.606835
  C      -8.826470      1.452841      4.621074
  C      -8.450640      2.445068      5.554171
  H      -3.291138      3.757215      8.347260
  H      -4.330912      3.003382      7.128292
  H      -3.295209      5.890048      6.830802
  H      -4.801305      5.426560      7.727145
  H      -8.526817      6.894271      3.663378
  H      -7.043414      6.210426     -0.672234
  H      -4.894088      5.418336     -1.743894
  H      -2.929419      4.906088     -0.318915
  H      -3.078794      5.160767      2.152885
  H      -2.189294     -1.049934      4.442353
  H      -0.554763     -1.360272      3.872180
  H      -2.345582     -1.261011      2.086722
  H      -0.894033     -0.287192      1.809705
  H      -7.450654      3.400314      3.106156
  H      -7.506241      2.783647     -1.386613
  H      -5.908794      1.882694     -3.089833
  H      -3.692507      0.957976     -2.364944
  H      -3.104243      0.894571     -0.005263
  H      -4.436042     -0.501257      5.876933
  H      -3.643376     -1.560480      7.071657
  H      -5.798801     -1.000841      7.952492
  H      -4.627737     -0.031377      8.914994
  H      -7.536905      5.254675      7.914889
  H     -10.271654      5.071188      4.289934
  H     -10.898450      3.295478      2.647245
  H      -9.966699      1.003420      2.876692
  H      -8.411700      0.451165      4.706683
  N      -1.547830      3.383419      3.595636
  H      -2.118463      3.119295      2.789542
  H      -0.544058      3.374677      3.294359
  H      -1.809394      4.343297      3.870539
99
Coordinates from ORCA-job orca E -6653.000159886832
  N      -2.341119      3.361527      6.506344
  Mo     -2.276737      1.659000      5.509828
  N      -2.828198      0.397635      6.913752
  C      -1.909833      0.098808      8.016581
  C      -0.940466      1.252649      8.229762
  N      -0.391036      1.714834      6.933813
  C       0.065284      3.123023      6.990409
  C      -1.128861      4.098514      6.842860
  C       0.649631      0.807486      6.396451
  C       0.501932      0.773655      4.872924
  N      -0.904609      0.602781      4.568720
  H      -0.885901      4.854218      6.063256
  H      -1.287931      4.661124      7.787407
  H       0.771901      3.269188      6.168684
  H       0.612624      3.296220      7.931396
  H       1.108917     -0.041892      4.447484
  H       0.883963      1.718184      4.444978
  H       0.463977     -0.197657      6.794080
  H       1.653128      1.128955      6.721770
  H      -2.456188     -0.067854      8.962482
  H      -1.366499     -0.846371      7.805440
  H      -1.485155      2.100926      8.660878
  H      -0.127451      0.974664      8.922035
  C      -3.514565      3.742095      7.273803
  C      -4.082046      5.116256      6.938286
  O      -4.885034      5.114273      5.744137
  C      -4.351126      5.619833      4.609788
  O      -3.162748      5.895128      4.464560
  C      -5.415616      5.871457      3.573301
  N      -6.594369      6.232668      4.058435
  C      -7.558404      6.553456      3.168714
  N      -7.475178      6.514808      1.849756
  C      -6.282421      6.107906      1.335129
  C      -6.163717      5.987796     -0.058854
  C      -4.981601      5.556999     -0.607314
  C      -3.874045      5.258586      0.219261
  C      -3.957604      5.381980      1.584572
  C      -5.165983      5.792958      2.179241
  C      -1.373549     -0.598857      3.892125
  C      -1.804767     -0.372503      2.429624
  O      -2.553115      0.814365      2.101346
  C      -3.675054      1.197623      2.780279
  O      -3.620112      1.214935      4.101104
  C      -4.770105      1.774560      2.096988
  N      -5.678998      2.369015      2.915252
  C      -6.769685      2.891035      2.346254
  N      -7.145348      2.891314      1.058671
  C      -6.242468      2.339187      0.211100
  C      -6.567790      2.343177     -1.173692
  C      -5.689837      1.844470     -2.100714
  C      -4.446880      1.329535     -1.667051
  C      -4.103674      1.307654     -0.304975
  C      -4.988417      1.786744      0.662184
  C      -3.973239     -0.504825      6.898154
  C      -5.044322     -0.183339      7.932328
  O      -5.705317      1.063181      7.608505
  C      -6.884388      0.946778      6.940298
  O      -7.395519     -0.118832      6.629709
  C      -7.500508      2.289201      6.658215
  N      -7.173823      3.282710      7.482761
  C      -7.786700      4.473906      7.259083
  N      -8.660397      4.765728      6.284695
  C      -8.974915      3.762373      5.408850
  C      -9.871989      4.030010      4.311066
  C     -10.211809      3.035763      3.421726
  C      -9.671576      1.742201      3.583697
  C      -8.787944      1.449887      4.636330
  C      -8.418774      2.450316      5.567890
  H      -3.270315      3.751152      8.357422
  H      -4.312595      2.996517      7.139652
  H      -3.294986      5.871339      6.838144
  H      -4.784089      5.412657      7.729330
  H      -8.505169      6.868869      3.595377
  H      -7.038846      6.217952     -0.667993
  H      -4.900074      5.433455     -1.681593
  H      -2.944788      4.917506     -0.228442
  H      -3.097677      5.169500      2.216663
  H      -2.205553     -1.045155      4.451522
  H      -0.569694     -1.354294      3.874557
  H      -2.373482     -1.252218      2.084382
  H      -0.915494     -0.267676      1.799222
  H      -7.450245      3.386298      3.024880
  H      -7.532639      2.766274     -1.473318
  H      -5.957541      1.853855     -3.170834
  H      -3.745936      0.943254     -2.395543
  H      -3.138695      0.908529      0.010653
  H      -4.433243     -0.483916      5.901466
  H      -3.637197     -1.543266      7.084386
  H      -5.791471     -0.985358      7.974499
  H      -4.614661     -0.027343      8.927281
  H      -7.516694      5.274774      7.959155
  H     -10.262367      5.040864      4.206968
  H     -10.887147      3.248819      2.570736
  H      -9.934606      0.973252      2.861670
  H      -8.364125      0.454806      4.747336
  N      -1.556513      3.388143      3.623014
  H      -2.117683      3.140254      2.815467
  H      -0.583071      3.389900      3.320015
  H      -1.817414      4.331995      3.907603
99
Coordinates from ORCA-job orca E -6652.999823725761
  N      -2.378788      3.371213      6.511649
  Mo     -2.291320      1.665848      5.501130
  N      -2.836574      0.382195      6.899974
  C      -1.911674      0.075819      8.010099
  C      -0.946947      1.233783      8.234724
  N      -0.399550      1.716146      6.935164
  C       0.053213      3.128445      7.003957
  C      -1.164079      4.118279      6.855535
  C       0.653914      0.817795      6.387833
  C       0.516005      0.795123      4.860735
  N      -0.886997      0.618767      4.548722
  H      -0.923994      4.886327      6.059156
  H      -1.331111      4.698143      7.812676
  H       0.768881      3.275562      6.165671
  H       0.613185      3.302283      7.959596
  H       1.130605     -0.014034      4.429576
  H       0.896501      1.747756      4.442980
  H       0.471547     -0.193641      6.778171
  H       1.654103      1.143324      6.718863
  H      -2.454285     -0.103735      8.953407
  H      -1.360864     -0.861320      7.790730
  H      -1.499465      2.076585      8.675605
  H      -0.131695      0.954002      8.925136
  C      -3.567347      3.738068      7.280522
  C      -4.134850      5.109876      6.937048
  O      -4.934116      5.110526      5.720734
  C      -4.405073      5.610029      4.598293
  O      -3.218282      5.894154      4.463553
  C      -5.472228      5.868212      3.546826
  N      -6.675129      6.217813      4.009062
  C      -7.623066      6.531288      3.079763
  N      -7.515176      6.503554      1.762786
  C      -6.309976      6.114334      1.277300
  C      -6.154608      5.995399     -0.128614
  C      -4.951884      5.580465     -0.658076
  C      -3.851331      5.292804      0.194293
  C      -3.966212      5.410915      1.564983
  C      -5.196271      5.804160      2.146547
  C      -1.330758     -0.605905      3.847042
  C      -1.752905     -0.371771      2.380227
  O      -2.520691      0.828459      2.081467
  C      -3.646131      1.204943      2.779790
  O      -3.610604      1.222005      4.087447
  C      -4.744638      1.770117      2.075998
  N      -5.668097      2.394962      2.874095
  C      -6.735110      2.904153      2.271417
  N      -7.077548      2.866000      0.975559
  C      -6.166873      2.273808      0.138061
  C      -6.459119      2.229851     -1.264507
  C      -5.567233      1.684399     -2.184209
  C      -4.346474      1.171069     -1.729232
  C      -4.034848      1.196011     -0.349381
  C      -4.934496      1.728578      0.618414
  C      -3.979005     -0.532889      6.869029
  C      -5.060835     -0.231288      7.901245
  O      -5.734734      1.011367      7.605074
  C      -6.897948      0.915490      6.940804
  O      -7.388875     -0.121727      6.588735
  C      -7.519329      2.263842      6.722382
  N      -7.189855      3.206041      7.592909
  C      -7.801906      4.408941      7.454936
  N      -8.681448      4.762571      6.539758
  C      -9.001175      3.817377      5.613285
  C      -9.902142      4.163932      4.585080
  C     -10.245441      3.232633      3.638609
  C      -9.706521      1.925414      3.680531
  C      -8.820448      1.556798      4.662749
  C      -8.444275      2.493065      5.657980
  H      -3.334891      3.744619      8.367554
  H      -4.362993      2.989115      7.139077
  H      -3.345633      5.861136      6.848253
  H      -4.839311      5.400948      7.719294
  H      -8.592990      6.842750      3.486567
  H      -7.021676      6.214973     -0.761165
  H      -4.840712      5.456748     -1.741603
  H      -2.903240      4.963052     -0.242786
  H      -3.110100      5.202973      2.201593
  H      -2.167581     -1.077924      4.401917
  H      -0.513143     -1.356867      3.823482
  H      -2.309143     -1.270172      2.027008
  H      -0.852558     -0.242675      1.738444
  H      -7.429989      3.429447      2.935280
  H      -7.410720      2.653475     -1.581278
  H      -5.807696      1.659947     -3.260236
  H      -3.633172      0.747321     -2.451477
  H      -3.084266      0.797110     -0.013691
  H      -4.429920     -0.500552      5.867372
  H      -3.644008     -1.572905      7.044805
  H      -5.799850     -1.044285      7.924508
  H      -4.638606     -0.085267      8.900148
  H      -7.532061      5.166739      8.194132
  H     -10.290481      5.183480      4.570424
  H     -10.923645      3.504787      2.837471
  H      -9.974359      1.207394      2.910725
  H      -8.401607      0.556382      4.681418
  N      -1.585044      3.438158      3.634088
  H      -2.157542      3.197591      2.802209
  H      -0.626879      3.446341      3.343674
  H      -1.859897      4.385520      3.941018
99
Coordinates from ORCA-job orca E -6653.000401361600
  N      -2.364609      3.369495      6.496192
  Mo     -2.288746      1.662780      5.486084
  N      -2.841729      0.385579      6.893432
  C      -1.911780      0.082501      8.010519
  C      -0.941525      1.241062      8.232206
  N      -0.389968      1.716583      6.922649
  C       0.067829      3.130499      6.981183
  C      -1.141149      4.095339      6.833274
  C       0.661755      0.811531      6.379453
  C       0.521887      0.780813      4.849628
  N      -0.886286      0.606980      4.538849
  H      -0.905660      4.828119      6.065556
  H      -1.291815      4.653664      7.756806
  H       0.771737      3.273866      6.150970
  H       0.621486      3.319016      7.915966
  H       1.133994     -0.031419      4.421763
  H       0.906459      1.730734      4.426055
  H       0.475834     -0.195444      6.777499
  H       1.665668      1.136480      6.708146
  H      -2.455486     -0.091656      8.956477
  H      -1.361881     -0.857812      7.795707
  H      -1.490866      2.086638      8.670251
  H      -0.124753      0.962751      8.924408
  C      -3.551818      3.755495      7.267991
  C      -4.108494      5.136802      6.926710
  O      -4.908188      5.129784      5.711755
  C      -4.374747      5.627168      4.586527
  O      -3.199023      5.917109      4.423689
  C      -5.432746      5.867086      3.558775
  N      -6.606685      6.224196      4.045088
  C      -7.562248      6.536694      3.145132
  N      -7.483353      6.501454      1.836202
  C      -6.296122      6.095347      1.317933
  C      -6.168513      5.969451     -0.085984
  C      -4.992346      5.545470     -0.636957
  C      -3.888284      5.254255      0.187021
  C      -3.971974      5.377444      1.553690
  C      -5.180687      5.785466      2.158518
  C      -1.338782     -0.612345      3.841843
  C      -1.758416     -0.376560      2.387028
  O      -2.513768      0.823463      2.099376
  C      -3.636893      1.198665      2.801365
  O      -3.607575      1.217342      4.086634
  C      -4.745241      1.767585      2.109353
  N      -5.679156      2.376881      2.920201
  C      -6.762490      2.890019      2.347479
  N      -7.108734      2.873630      1.073875
  C      -6.187542      2.305504      0.222915
  C      -6.475365      2.295525     -1.143498
  C      -5.566442      1.785982     -2.056090
  C      -4.334092      1.277134     -1.622279
  C      -4.030338      1.260180     -0.294197
  C      -4.941291      1.756780      0.670009
  C      -3.990490     -0.526506      6.871666
  C      -5.062069     -0.206443      7.910684
  O      -5.735019      1.043370      7.590337
  C      -6.911056      0.916502      6.933882
  O      -7.417220     -0.159399      6.633527
  C      -7.544290      2.267156      6.662143
  N      -7.209750      3.246875      7.499852
  C      -7.818539      4.447503      7.326024
  N      -8.693457      4.775994      6.414513
  C      -9.020035      3.799737      5.517520
  C      -9.913471      4.122187      4.477394
  C     -10.268462      3.155284      3.541286
  C      -9.744651      1.837637      3.621887
  C      -8.868463      1.490660      4.617089
  C      -8.475967      2.464367      5.594619
  H      -3.318933      3.763439      8.354043
  H      -4.354207      3.014249      7.130747
  H      -3.308760      5.893477      6.832651
  H      -4.817680      5.436479      7.716734
  H      -8.511771      6.852188      3.568962
  H      -7.038074      6.193989     -0.695148
  H      -4.910857      5.422956     -1.711840
  H      -2.965004      4.919803     -0.264218
  H      -3.109606      5.165796      2.174650
  H      -2.176794     -1.071657      4.393918
  H      -0.529924     -1.366843      3.819715
  H      -2.319631     -1.257815      2.032226
  H      -0.867067     -0.258971      1.756489
  H      -7.466983      3.399194      3.019014
  H      -7.435272      2.714065     -1.449214
  H      -5.806996      1.788436     -3.104556
  H      -3.609853      0.882952     -2.335388
  H      -3.071291      0.864237      0.027022
  H      -4.449089     -0.503091      5.869356
  H      -3.655249     -1.570694      7.057481
  H      -5.803958     -1.015801      7.949491
  H      -4.629617     -0.049152      8.913175
  H      -7.541706      5.228915      8.040886
  H     -10.292601      5.147686      4.431057
  H     -10.941346      3.407482      2.720433
  H     -10.024921      1.091060      2.857658
  H      -8.460726      0.481801      4.660700
  N      -1.554625      3.420793      3.604106
  H      -2.113867      3.173247      2.788495
  H      -0.570009      3.418570      3.308734
  H      -1.817797      4.361052      3.886646
99
Coordinates from ORCA-job orca E -6653.000360535977
  N      -2.345932      3.362457      6.511920
  Mo     -2.275484      1.660649      5.507813
  N      -2.834521      0.392251      6.907447
  C      -1.918641      0.089077      8.016569
  C      -0.950285      1.243835      8.237533
  N      -0.398064      1.712016      6.940511
  C       0.056444      3.122864      7.000789
  C      -1.131367      4.087452      6.858016
  C       0.648595      0.807795      6.405172
  C       0.508916      0.779185      4.878749
  N      -0.898879      0.608294      4.564895
  H      -0.887672      4.831709      6.101049
  H      -1.287772      4.630702      7.788061
  H       0.753775      3.272294      6.187798
  H       0.595950      3.295988      7.929604
  H       1.118515     -0.033737      4.454441
  H       0.892757      1.725983      4.455507
  H       0.461890     -0.198414      6.799137
  H       1.650913      1.130304      6.737206
  H      -2.469160     -0.080878      8.960836
  H      -1.373496     -0.855609      7.804398
  H      -1.496664      2.089380      8.670472
  H      -0.138018      0.964207      8.930498
  C      -3.522847      3.753697      7.273662
  C      -4.073890      5.130663      6.928606
  O      -4.873802      5.126409      5.731840
  C      -4.338137      5.603894      4.595430
  O      -3.153542      5.856495      4.436362
  C      -5.410096      5.866186      3.569738
  N      -6.597457      6.253905      4.082375
  C      -7.577980      6.590205      3.217745
  N      -7.499705      6.541834      1.891673
  C      -6.291505      6.105646      1.340810
  C      -6.178199      5.977792     -0.063936
  C      -4.985413      5.522239     -0.643533
  C      -3.865448      5.209842      0.163473
  C      -3.942328      5.340371      1.539303
  C      -5.161292      5.774860      2.164188
  C      -1.364171     -0.588192      3.880778
  C      -1.787323     -0.348915      2.424289
  O      -2.530852      0.840561      2.111322
  C      -3.656237      1.211364      2.789141
  O      -3.609200      1.228600      4.089876
  C      -4.755997      1.782125      2.112977
  N      -5.673336      2.372799      2.951831
  C      -6.771810      2.895327      2.403463
  N      -7.144246      2.897835      1.117220
  C      -6.236135      2.347982      0.243667
  C      -6.555961      2.354471     -1.138287
  C      -5.674190      1.854563     -2.084474
  C      -4.434784      1.335180     -1.669658
  C      -4.096511      1.311588     -0.317671
  C      -4.979226      1.794333      0.673109
  C      -3.980438     -0.513845      6.888848
  C      -5.050288     -0.179723      7.919511
  O      -5.704312      1.068389      7.575282
  C      -6.889899      0.941792      6.908097
  O      -7.410362     -0.141636      6.613477
  C      -7.506623      2.284605      6.612926
  N      -7.173889      3.284769      7.431466
  C      -7.780915      4.472588      7.218925
  N      -8.653364      4.762572      6.267000
  C      -8.975020      3.758584      5.397227
  C      -9.873258      4.026431      4.330302
  C     -10.226462      3.030548      3.454231
  C      -9.693899      1.737970      3.604490
  C      -8.809305      1.445079      4.621766
  C      -8.427811      2.444887      5.541572
  H      -3.283831      3.763991      8.356737
  H      -4.327437      3.018188      7.135694
  H      -3.276614      5.874675      6.824582
  H      -4.774203      5.442405      7.715202
  H      -8.533256      6.927912      3.670443
  H      -7.062766      6.219778     -0.657198
  H      -4.910362      5.393988     -1.724027
  H      -2.930659      4.852666     -0.306516
  H      -3.072388      5.116078      2.158922
  H      -2.196545     -1.037354      4.431714
  H      -0.563905     -1.341337      3.860498
  H      -2.355651     -1.220789      2.066956
  H      -0.900164     -0.239403      1.802180
  H      -7.458004      3.391136      3.103970
  H      -7.518143      2.778889     -1.428141
  H      -5.939710      1.865893     -3.153314
  H      -3.734398      0.946107     -2.414884
  H      -3.135306      0.909445     -0.015519
  H      -4.440387     -0.497198      5.890776
  H      -3.645177     -1.554127      7.080054
  H      -5.799810     -0.978021      7.971479
  H      -4.616867     -0.013590      8.915367
  H      -7.505126      5.273603      7.921420
  H     -10.257004      5.036266      4.235904
  H     -10.904731      3.242879      2.630857
  H      -9.968760      0.968176      2.895316
  H      -8.392132      0.449349      4.724553
  N      -1.546470      3.400524      3.620993
  H      -2.095205      3.152687      2.823803
  H      -0.563244      3.401265      3.318148
  H      -1.804190      4.335319      3.894802
99
Coordinates from ORCA-job orca E -6653.001065934818
  N      -2.345040      3.363822      6.515628
  Mo     -2.276613      1.661973      5.511321
  N      -2.830419      0.395917      6.910267
  C      -1.911848      0.088844      8.012860
  C      -0.939048      1.238826      8.230609
  N      -0.391612      1.707769      6.935024
  C       0.067276      3.115082      6.996246
  C      -1.134051      4.099817      6.860409
  C       0.650278      0.801723      6.393611
  C       0.504991      0.773892      4.870621
  N      -0.899894      0.606534      4.564346
  H      -0.891905      4.867387      6.080955
  H      -1.296015      4.661215      7.813524
  H       0.770373      3.259981      6.162547
  H       0.627050      3.282793      7.939595
  H       1.111156     -0.041709      4.443556
  H       0.889304      1.719581      4.446881
  H       0.462366     -0.205566      6.786854
  H       1.651963      1.120968      6.722067
  H      -2.457554     -0.081439      8.957518
  H      -1.370965     -0.855956      7.797134
  H      -1.481623      2.086888      8.667203
  H      -0.125630      0.955014      8.919443
  C      -3.523158      3.738768      7.281957
  C      -4.093983      5.111511      6.946687
  O      -4.896942      5.110290      5.747362
  C      -4.362656      5.622191      4.615683
  O      -3.170791      5.911947      4.478187
  C      -5.432590      5.870713      3.568881
  N      -6.614732      6.217764      4.046660
  C      -7.575145      6.527084      3.142001
  N      -7.486055      6.494097      1.817449
  C      -6.292063      6.105201      1.311935
  C      -6.161880      5.985095     -0.094332
  C      -4.973554      5.566555     -0.639451
  C      -3.871583      5.279958      0.201998
  C      -3.966969      5.403761      1.578634
  C      -5.178312      5.800267      2.169401
  C      -1.362814     -0.598263      3.877187
  C      -1.789946     -0.364876      2.414103
  O      -2.540878      0.828356      2.096050
  C      -3.667905      1.203976      2.774852
  O      -3.617998      1.227652      4.101291
  C      -4.764277      1.763018      2.074722
  N      -5.680331      2.364613      2.880738
  C      -6.761660      2.882085      2.297051
  N      -7.120867      2.873105      1.008906
  C      -6.213187      2.306617      0.167649
  C      -6.520402      2.302707     -1.217049
  C      -5.634684      1.792036     -2.136677
  C      -4.402818      1.270125     -1.699729
  C      -4.077450      1.256045     -0.336408
  C      -4.968879      1.753372      0.630037
  C      -3.977819     -0.504083      6.886817
  C      -5.054385     -0.182673      7.912144
  O      -5.717322      1.058172      7.587337
  C      -6.889938      0.950376      6.918350
  O      -7.392112     -0.100659      6.589220
  C      -7.508949      2.288931      6.663355
  N      -7.180579      3.262897      7.489972
  C      -7.798756      4.454046      7.301471
  N      -8.684204      4.762681      6.368035
  C      -8.999154      3.779146      5.488125
  C      -9.905692      4.068153      4.434532
  C     -10.242016      3.097613      3.538646
  C      -9.690124      1.806490      3.654683
  C      -8.797647      1.494147      4.666284
  C      -8.432345      2.469960      5.602624
  H      -3.283532      3.746048      8.366762
  H      -4.319264      2.990326      7.143678
  H      -3.307013      5.868338      6.850369
  H      -4.798507      5.404146      7.737593
  H      -8.529481      6.834459      3.566804
  H      -7.032206      6.203512     -0.715785
  H      -4.879412      5.439094     -1.727063
  H      -2.935602      4.945196     -0.245537
  H      -3.112008      5.196139      2.215669
  H      -2.197387     -1.051616      4.433984
  H      -0.556875     -1.353725      3.856918
  H      -2.357075     -1.248706      2.063558
  H      -0.896446     -0.251718      1.781532
  H      -7.448159      3.387036      2.969727
  H      -7.477950      2.731797     -1.519907
  H      -5.884750      1.799919     -3.200029
  H      -3.694912      0.874059     -2.423149
  H      -3.119377      0.854201     -0.015917
  H      -4.430473     -0.478593      5.887173
  H      -3.648006     -1.542900      7.072211
  H      -5.799370     -0.986541      7.951379
  H      -4.630180     -0.024165      8.906504
  H      -7.527731      5.239916      8.005666
  H     -10.302893      5.077793      4.364557
  H     -10.923528      3.327412      2.719783
  H      -9.949964      1.055783      2.925646
  H      -8.365155      0.502396      4.743095
  N      -1.558756      3.423797      3.639855
  H      -2.150341      3.166623      2.805435
  H      -0.569225      3.412321      3.345815
  H      -1.829523      4.407198      3.947709
99
Coordinates from ORCA-job orca E -6652.999986928746
  N      -2.358876      3.371815      6.506650
  Mo     -2.281257      1.665968      5.495787
  N      -2.833901      0.388050      6.900061
  C      -1.905390      0.082379      8.012395
  C      -0.933369      1.238133      8.233778
  N      -0.385328      1.715023      6.926923
  C       0.074953      3.126769      6.988261
  C      -1.139112      4.106354      6.854150
  C       0.663604      0.809531      6.380214
  C       0.523789      0.782129      4.851778
  N      -0.881875      0.611269      4.541956
  H      -0.900822      4.869223      6.077091
  H      -1.296610      4.666795      7.806642
  H       0.781102      3.272653      6.142941
  H       0.643415      3.306300      7.933863
  H       1.133924     -0.031403      4.421552
  H       0.909751      1.732273      4.430418
  H       0.475976     -0.199570      6.775120
  H       1.667074      1.132007      6.709411
  H      -2.447973     -0.092642      8.957457
  H      -1.357940     -0.857556      7.794999
  H      -1.479661      2.084646      8.676133
  H      -0.116132      0.954713      8.922558
  C      -3.552804      3.745223      7.269835
  C      -4.119660      5.122280      6.928645
  O      -4.916012      5.118194      5.709812
  C      -4.384953      5.618702      4.591323
  O      -3.203650      5.912011      4.446495
  C      -5.442489      5.862318      3.553022
  N      -6.630056      6.216238      4.028148
  C      -7.577959      6.525854      3.110471
  N      -7.487033      6.497080      1.804366
  C      -6.292200      6.099736      1.305041
  C      -6.148904      5.978224     -0.095343
  C      -4.959447      5.558611     -0.635722
  C      -3.855356      5.265094      0.195354
  C      -3.954109      5.382709      1.558242
  C      -5.176495      5.787400      2.154188
  C      -1.336824     -0.608175      3.836050
  C      -1.758721     -0.364693      2.373662
  O      -2.517523      0.839726      2.088075
  C      -3.646344      1.207142      2.791173
  O      -3.608260      1.228885      4.093118
  C      -4.758655      1.767681      2.093752
  N      -5.694169      2.378550      2.897736
  C      -6.769855      2.889223      2.309453
  N      -7.111760      2.867154      1.023981
  C      -6.191519      2.290758      0.179671
  C      -6.481390      2.267961     -1.208890
  C      -5.576020      1.746481     -2.124240
  C      -4.342963      1.238681     -1.674070
  C      -4.035634      1.238657     -0.314843
  C      -4.948432      1.745313      0.646364
  C      -3.983856     -0.521753      6.874972
  C      -5.063100     -0.210530      7.913127
  O      -5.742538      1.035454      7.610104
  C      -6.906643      0.924706      6.954280
  O      -7.391258     -0.123742      6.627239
  C      -7.542215      2.271386      6.709799
  N      -7.209362      3.242704      7.563937
  C      -7.825055      4.448222      7.399469
  N      -8.706618      4.784450      6.478835
  C      -9.031866      3.811820      5.566082
  C      -9.932496      4.140343      4.518950
  C     -10.283142      3.175491      3.564923
  C      -9.750012      1.852094      3.629785
  C      -8.865254      1.500584      4.635112
  C      -8.477959      2.473777      5.633057
  H      -3.328089      3.752188      8.359679
  H      -4.348792      2.995492      7.121614
  H      -3.326998      5.883002      6.841372
  H      -4.832651      5.411449      7.715799
  H      -8.539367      6.840145      3.525265
  H      -7.018284      6.202428     -0.711587
  H      -4.861992      5.437353     -1.711994
  H      -2.918960      4.931587     -0.251058
  H      -3.094012      5.168889      2.183003
  H      -2.177749     -1.072760      4.389371
  H      -0.524719     -1.366384      3.809458
  H      -2.320567     -1.249843      2.016072
  H      -0.862296     -0.241600      1.736674
  H      -7.473067      3.402943      2.977196
  H      -7.441831      2.688409     -1.521922
  H      -5.816268      1.738209     -3.187996
  H      -3.619186      0.835836     -2.388129
  H      -3.074576      0.843361      0.017623
  H      -4.438438     -0.492352      5.871167
  H      -3.650790     -1.565173      7.055897
  H      -5.802927     -1.024697      7.943806
  H      -4.635763     -0.058176      8.915178
  H      -7.547969      5.225925      8.118669
  H     -10.317989      5.170073      4.483350
  H     -10.961219      3.433518      2.739865
  H     -10.026271      1.106582      2.852561
  H      -8.450091      0.490297      4.669521
  N      -1.552262      3.432826      3.625114
  H      -2.105140      3.195782      2.802960
  H      -0.605319      3.444819      3.332650
  H      -1.819299      4.360861      3.913774
99
Coordinates from ORCA-job orca E -6652.999927810998
  N      -2.343757      3.364347      6.507241
  Mo     -2.269538      1.659375      5.497976
  N      -2.832293      0.390837      6.903742
  C      -1.909606      0.086879      8.017771
  C      -0.935944      1.241519      8.234840
  N      -0.383961      1.710194      6.928425
  C       0.075099      3.124208      6.985014
  C      -1.122515      4.089558      6.854870
  C       0.664147      0.803592      6.386518
  C       0.523732      0.774895      4.856581
  N      -0.887848      0.603434      4.547836
  H      -0.884336      4.841395      6.101472
  H      -1.276441      4.625134      7.793321
  H       0.771539      3.274696      6.157862
  H       0.627945      3.302174      7.915735
  H       1.133013     -0.039226      4.428579
  H       0.908325      1.723353      4.432509
  H       0.476869     -0.203586      6.781197
  H       1.670467      1.125688      6.715878
  H      -2.456529     -0.080496      8.965007
  H      -1.365347     -0.858631      7.805558
  H      -1.479630      2.089490      8.671837
  H      -0.120855      0.959160      8.926905
  C      -3.528207      3.752328      7.274873
  C      -4.076131      5.133089      6.926865
  O      -4.874317      5.126738      5.722191
  C      -4.347992      5.600658      4.588541
  O      -3.176244      5.852714      4.417612
  C      -5.416649      5.857572      3.571143
  N      -6.593536      6.246977      4.071600
  C      -7.564961      6.577649      3.194087
  N      -7.494983      6.526599      1.879655
  C      -6.304686      6.092164      1.345411
  C      -6.198723      5.963132     -0.052177
  C      -5.029189      5.515533     -0.613919
  C      -3.915655      5.204884      0.197241
  C      -3.977217      5.330440      1.558462
  C      -5.178133      5.762563      2.172647
  C      -1.351111     -0.600098      3.855704
  C      -1.772378     -0.351569      2.403488
  O      -2.520904      0.848276      2.118132
  C      -3.648779      1.211484      2.809902
  O      -3.608753      1.229980      4.089755
  C      -4.754154      1.780163      2.135396
  N      -5.689060      2.373136      2.970190
  C      -6.777345      2.890874      2.416418
  N      -7.127460      2.886808      1.133930
  C      -6.205111      2.337470      0.265069
  C      -6.498532      2.340579     -1.112186
  C      -5.597157      1.840672     -2.049409
  C      -4.368846      1.326749     -1.627090
  C      -4.057491      1.303607     -0.286978
  C      -4.958073      1.788011      0.696897
  C      -3.982990     -0.515865      6.888922
  C      -5.055169     -0.170788      7.917892
  O      -5.719922      1.074909      7.559678
  C      -6.904446      0.923363      6.898066
  O      -7.418767     -0.179324      6.628874
  C      -7.531075      2.271093      6.581773
  N      -7.188958      3.264396      7.385427
  C      -7.792904      4.457036      7.177309
  N      -8.670999      4.763745      6.255076
  C      -9.005760      3.776280      5.395989
  C      -9.908883      4.072418      4.364319
  C     -10.280829      3.093090      3.490286
  C      -9.757468      1.791260      3.612353
  C      -8.870189      1.468258      4.590179
  C      -8.466625      2.451173      5.517997
  H      -3.291819      3.763605      8.358752
  H      -4.334398      3.016398      7.136634
  H      -3.275876      5.875777      6.825197
  H      -4.774594      5.445644      7.710346
  H      -8.505541      6.910666      3.629901
  H      -7.076816      6.201664     -0.651784
  H      -4.964884      5.390432     -1.683342
  H      -3.001407      4.855028     -0.260374
  H      -3.109959      5.106042      2.178231
  H      -2.187871     -1.056066      4.404012
  H      -0.547080     -1.354358      3.830326
  H      -2.339932     -1.223732      2.039162
  H      -0.882115     -0.233191      1.777300
  H      -7.479344      3.386519      3.105301
  H      -7.454308      2.761820     -1.409054
  H      -5.844457      1.850215     -3.113737
  H      -3.653865      0.937843     -2.361385
  H      -3.102211      0.903783      0.022946
  H      -4.443214     -0.504867      5.888060
  H      -3.649546     -1.557658      7.089126
  H      -5.800659     -0.974806      7.975519
  H      -4.620941      0.009427      8.917384
  H      -7.508553      5.248245      7.871276
  H     -10.285196      5.087822      4.286156
  H     -10.965375      3.326508      2.689810
  H     -10.049502      1.036967      2.901286
  H      -8.464776      0.468165      4.668031
  N      -1.528923      3.407288      3.612429
  H      -2.082226      3.159928      2.812717
  H      -0.539763      3.400023      3.311695
  H      -1.778747      4.340524      3.883441
99
Coordinates from ORCA-job orca E -6652.998894050442
  N      -2.334086      3.361597      6.515447
  Mo     -2.272883      1.659411      5.515453
  N      -2.831207      0.400421      6.915706
  C      -1.912382      0.094115      8.017141
  C      -0.935708      1.242477      8.229390
  N      -0.390595      1.704308      6.930823
  C       0.070605      3.110509      6.981975
  C      -1.121930      4.085788      6.858849
  C       0.646375      0.794185      6.391822
  C       0.497315      0.763293      4.869931
  N      -0.909761      0.599748      4.568175
  H      -0.885231      4.842877      6.101328
  H      -1.275741      4.624839      7.799186
  H       0.759416      3.254274      6.151515
  H       0.631126      3.279172      7.909572
  H       1.099451     -0.054633      4.444492
  H       0.882303      1.705987      4.442311
  H       0.457070     -0.210322      6.788041
  H       1.650191      1.111105      6.716757
  H      -2.456908     -0.071584      8.964285
  H      -1.374423     -0.853752      7.803385
  H      -1.473434      2.092123      8.665443
  H      -0.121069      0.957394      8.916901
  C      -3.506191      3.746000      7.283696
  C      -4.069486      5.123230      6.950885
  O      -4.877602      5.124855      5.759219
  C      -4.343587      5.631456      4.620047
  O      -3.153149      5.913700      4.472115
  C      -5.419184      5.883456      3.581113
  N      -6.607848      6.245336      4.080692
  C      -7.583773      6.560050      3.196067
  N      -7.496529      6.513625      1.858505
  C      -6.288609      6.107455      1.323321
  C      -6.160034      5.971881     -0.098658
  C      -4.960458      5.535273     -0.667121
  C      -3.850480      5.247237      0.166563
  C      -3.945651      5.386670      1.560197
  C      -5.166789      5.800113      2.171456
  C      -1.379727     -0.594359      3.886013
  C      -1.805886     -0.354110      2.428051
  O      -2.550570      0.840529      2.117003
  C      -3.679394      1.207871      2.792763
  O      -3.630514      1.230251      4.108214
  C      -4.776211      1.768312      2.104027
  N      -5.692784      2.356544      2.926051
  C      -6.781331      2.880489      2.361338
  N      -7.145067      2.892299      1.076906
  C      -6.237529      2.341314      0.220562
  C      -6.545867      2.361951     -1.154224
  C      -5.661337      1.868087     -2.083485
  C      -4.431470      1.337849     -1.662312
  C      -4.105930      1.298228     -0.317705
  C      -4.990701      1.779663      0.662651
  C      -3.981512     -0.495603      6.900631
  C      -5.050632     -0.156530      7.927757
  O      -5.704584      1.084995      7.577734
  C      -6.882964      0.960885      6.906140
  O      -7.396093     -0.115532      6.600625
  C      -7.503842      2.297110      6.619399
  N      -7.171227      3.302875      7.437884
  C      -7.784811      4.486015      7.235197
  N      -8.669012      4.762754      6.296466
  C      -8.988570      3.750185      5.421601
  C      -9.895001      4.004688      4.356335
  C     -10.239755      3.002574      3.465932
  C      -9.693660      1.716102      3.603059
  C      -8.801713      1.436861      4.622285
  C      -8.428648      2.444205      5.552275
  H      -3.261323      3.753188      8.365128
  H      -4.306291      3.005967      7.149185
  H      -3.276091      5.874487      6.847910
  H      -4.767164      5.424548      7.746426
  H      -8.541665      6.876238      3.640483
  H      -7.036785      6.192304     -0.713261
  H      -4.871765      5.399881     -1.761126
  H      -2.909630      4.901854     -0.295103
  H      -3.086441      5.178198      2.196901
  H      -2.212647     -1.043106      4.440809
  H      -0.580231     -1.350660      3.862030
  H      -2.376169     -1.230583      2.071499
  H      -0.914696     -0.241605      1.800220
  H      -7.466927      3.372412      3.048309
  H      -7.501452      2.795347     -1.448140
  H      -5.913862      1.894825     -3.142658
  H      -3.727223      0.953641     -2.395648
  H      -3.150020      0.890860     -0.011471
  H      -4.440157     -0.477113      5.903686
  H      -3.654280     -1.535927      7.092881
  H      -5.799161     -0.954987      7.982758
  H      -4.620792      0.015216      8.920210
  H      -7.508453      5.294406      7.936101
  H     -10.287521      5.011135      4.268698
  H     -10.921907      3.206575      2.638400
  H      -9.960330      0.939750      2.879194
  H      -8.372620      0.446188      4.713871
  N      -1.546598      3.403277      3.635674
  H      -2.128963      3.143273      2.819600
  H      -0.541695      3.385181      3.333491
  H      -1.808039      4.378934      3.928367
99
Coordinates from ORCA-job orca E -6653.000079536078
  N      -2.346460      3.373667      6.524465
  Mo     -2.273389      1.673356      5.511315
  N      -2.831504      0.397846      6.906775
  C      -1.909416      0.086917      8.014220
  C      -0.935123      1.237595      8.238407
  N      -0.388613      1.713674      6.939279
  C       0.072138      3.121204      7.001651
  C      -1.132569      4.102408      6.879167
  C       0.655740      0.807988      6.393552
  C       0.515196      0.784617      4.867623
  N      -0.888410      0.618807      4.557436
  H      -0.893394      4.872664      6.115275
  H      -1.288855      4.649257      7.835336
  H       0.768670      3.268335      6.161373
  H       0.640103      3.294197      7.937898
  H       1.122107     -0.029293      4.437570
  H       0.902993      1.733050      4.447898
  H       0.464497     -0.201078      6.785119
  H       1.657927      1.125392      6.724633
  H      -2.454479     -0.088762      8.957120
  H      -1.364987     -0.854281      7.794790
  H      -1.477037      2.084010      8.682757
  H      -0.120424      0.949289      8.924357
  C      -3.535523      3.743563      7.281954
  C      -4.102824      5.118433      6.944581
  O      -4.892012      5.106875      5.725178
  C      -4.346309      5.616182      4.601898
  O      -3.148056      5.924949      4.470606
  C      -5.405905      5.844524      3.552397
  N      -6.581044      6.186966      4.028818
  C      -7.537139      6.489598      3.121789
  N      -7.456699      6.464195      1.813556
  C      -6.268011      6.076460      1.310292
  C      -6.137139      5.962382     -0.086101
  C      -4.946658      5.546650     -0.634423
  C      -3.837688      5.252825      0.189273
  C      -3.931795      5.368237      1.555218
  C      -5.149680      5.768672      2.153675
  C      -1.354195     -0.588887      3.848635
  C      -1.776550     -0.340134      2.384509
  O      -2.525646      0.863696      2.089835
  C      -3.656765      1.227059      2.783348
  O      -3.605814      1.249506      4.109589
  C      -4.768555      1.776676      2.078821
  N      -5.693201      2.375206      2.883728
  C      -6.779891      2.884616      2.295299
  N      -7.141039      2.869514      1.004362
  C      -6.229176      2.302189      0.159874
  C      -6.541751      2.288039     -1.232349
  C      -5.650696      1.776119     -2.156035
  C      -4.403768      1.266297     -1.713258
  C      -4.073073      1.260395     -0.341564
  C      -4.973964      1.758754      0.627796
  C      -3.982915     -0.503862      6.873270
  C      -5.068181     -0.192551      7.899761
  O      -5.747415      1.044374      7.592017
  C      -6.912486      0.943867      6.934779
  O      -7.407632     -0.084451      6.604339
  C      -7.534074      2.281238      6.692863
  N      -7.203716      3.251195      7.525158
  C      -7.822652      4.449906      7.341852
  N      -8.708715      4.770968      6.412186
  C      -9.026005      3.788692      5.524283
  C      -9.931025      4.091614      4.466089
  C     -10.268041      3.120525      3.556174
  C      -9.719022      1.815317      3.667797
  C      -8.827478      1.491005      4.688783
  C      -8.460375      2.469054      5.633210
  H      -3.312443      3.746631      8.372121
  H      -4.329848      2.994491      7.127309
  H      -3.311101      5.881998      6.860112
  H      -4.822233      5.405918      7.732913
  H      -8.498851      6.798973      3.546191
  H      -7.010925      6.185022     -0.694550
  H      -4.855253      5.428427     -1.712259
  H      -2.898085      4.919304     -0.262308
  H      -3.072949      5.154913      2.177243
  H      -2.196788     -1.046440      4.399678
  H      -0.550037     -1.350910      3.821196
  H      -2.345758     -1.219251      2.025233
  H      -0.881868     -0.223168      1.751403
  H      -7.473258      3.393044      2.971904
  H      -7.510715      2.710724     -1.536323
  H      -5.905247      1.773946     -3.221596
  H      -3.689517      0.869261     -2.438192
  H      -3.103796      0.864542     -0.018126
  H      -4.429410     -0.470881      5.869159
  H      -3.655705     -1.544576      7.054600
  H      -5.806602     -1.005201      7.929026
  H      -4.649916     -0.036599      8.896979
  H      -7.548933      5.232987      8.045575
  H     -10.327366      5.110618      4.398691
  H     -10.947658      3.360122      2.729139
  H      -9.982013      1.062417      2.928413
  H      -8.395936      0.492170      4.764664
  N      -1.540390      3.445608      3.650817
  H      -2.102494      3.203570      2.824703
  H      -0.589454      3.451056      3.358050
  H      -1.807976      4.397851      3.945981
99
Coordinates from ORCA-job orca E -6653.000800253287
  N      -2.352229      3.368019      6.504244
  Mo     -2.276053      1.661717      5.491652
  N      -2.833373      0.387773      6.899036
  C      -1.905030      0.080245      8.011161
  C      -0.927937      1.232636      8.227726
  N      -0.380555      1.704889      6.917597
  C       0.082628      3.118755      6.977297
  C      -1.128858      4.099228      6.858820
  C       0.666264      0.796357      6.369474
  C       0.523750      0.769830      4.839842
  N      -0.887723      0.603174      4.534552
  H      -0.891634      4.877088      6.091980
  H      -1.287248      4.640896      7.823450
  H       0.782229      3.267619      6.132423
  H       0.652437      3.293172      7.918784
  H       1.130246     -0.046283      4.409172
  H       0.910505      1.718733      4.417185
  H       0.477697     -0.212196      6.762616
  H       1.672754      1.115809      6.697059
  H      -2.447321     -0.088513      8.959250
  H      -1.363070     -0.864055      7.795431
  H      -1.468827      2.081473      8.670329
  H      -0.110170      0.945991      8.915657
  C      -3.542117      3.746870      7.269719
  C      -4.095898      5.122953      6.918981
  O      -4.894510      5.124157      5.710753
  C      -4.379111      5.600854      4.588982
  O      -3.210239      5.851324      4.425120
  C      -5.448006      5.867406      3.568035
  N      -6.638822      6.250907      4.053824
  C      -7.596542      6.576382      3.151163
  N      -7.506488      6.527468      1.835495
  C      -6.312017      6.106517      1.325501
  C      -6.185228      5.979584     -0.072599
  C      -5.011187      5.547335     -0.614487
  C      -3.908767      5.247482      0.216666
  C      -3.989136      5.369419      1.576911
  C      -5.193765      5.783698      2.171323
  C      -1.350668     -0.606920      3.834678
  C      -1.774530     -0.355535      2.379529
  O      -2.524228      0.851212      2.102330
  C      -3.653846      1.212870      2.801394
  O      -3.617476      1.235939      4.088885
  C      -4.760324      1.772113      2.110137
  N      -5.706818      2.372138      2.915529
  C      -6.778864      2.881722      2.331591
  N      -7.102667      2.865010      1.049673
  C      -6.170150      2.302891      0.207017
  C      -6.438446      2.288518     -1.176954
  C      -5.524495      1.773808     -2.089572
  C      -4.307711      1.261745     -1.640089
  C      -4.020223      1.256907     -0.286637
  C      -4.937603      1.757618      0.669704
  C      -3.984959     -0.519592      6.890074
  C      -5.050846     -0.182078      7.930560
  O      -5.721021      1.065331      7.594326
  C      -6.897575      0.927200      6.940071
  O      -7.397429     -0.156576      6.653593
  C      -7.530997      2.278081      6.653893
  N      -7.189865      3.260173      7.490757
  C      -7.805257      4.461559      7.313550
  N      -8.694394      4.784309      6.391844
  C      -9.028224      3.805231      5.496896
  C      -9.940931      4.118988      4.463468
  C     -10.310439      3.145790      3.543573
  C      -9.777755      1.829418      3.618490
  C      -8.879635      1.490741      4.603261
  C      -8.476852      2.470338      5.579154
  H      -3.309452      3.757304      8.355544
  H      -4.344116      3.007228      7.127021
  H      -3.302816      5.862446      6.821877
  H      -4.792497      5.427834      7.696294
  H      -8.547567      6.902775      3.570553
  H      -7.055604      6.209132     -0.688430
  H      -4.925784      5.418419     -1.692646
  H      -2.985473      4.904562     -0.231312
  H      -3.128025      5.149312      2.205718
  H      -2.190368     -1.064191      4.385606
  H      -0.543374     -1.366080      3.806799
  H      -2.342027     -1.229364      2.016929
  H      -0.882836     -0.234891      1.747377
  H      -7.491846      3.384343      2.995298
  H      -7.386360      2.708614     -1.493872
  H      -5.750701      1.770063     -3.154716
  H      -3.581228      0.861465     -2.353118
  H      -3.072730      0.859576      0.047684
  H      -4.449984     -0.502665      5.891341
  H      -3.652104     -1.562679      7.084455
  H      -5.794948     -0.989279      7.987036
  H      -4.609242     -0.009337      8.927244
  H      -7.522436      5.244865      8.031051
  H     -10.323684      5.143618      4.418994
  H     -11.002008      3.391630      2.738342
  H     -10.068507      1.078769      2.867350
  H      -8.466841      0.483601      4.643887
  N      -1.535532      3.422388      3.617043
  H      -2.100635      3.174848      2.799766
  H      -0.551799      3.411692      3.320517
  H      -1.790009      4.364218      3.899142
99
Coordinates from ORCA-job orca E -6653.001374782209
  N      -2.325752      3.365554      6.519078
  Mo     -2.262047      1.661602      5.509847
  N      -2.827292      0.399442      6.912210
  C      -1.906629      0.091817      8.020376
  C      -0.926378      1.239694      8.234400
  N      -0.379102      1.703523      6.929759
  C       0.085992      3.112684      6.981312
  C      -1.105644      4.084175      6.872314
  C       0.660506      0.792038      6.388730
  C       0.517681      0.761551      4.862626
  N      -0.892757      0.598826      4.557458
  H      -0.868490      4.846115      6.129322
  H      -1.255060      4.607776      7.816987
  H       0.768029      3.258530      6.143976
  H       0.654580      3.283864      7.903628
  H       1.120894     -0.057253      4.436986
  H       0.906647      1.704946      4.435741
  H       0.468024     -0.212605      6.785093
  H       1.666969      1.109392      6.716622
  H      -2.452040     -0.073942      8.967821
  H      -1.368169     -0.856216      7.806642
  H      -1.462437      2.090410      8.672878
  H      -0.110769      0.951747      8.921680
  C      -3.505695      3.753459      7.293034
  C      -4.062262      5.142315      6.963958
  O      -4.870277      5.137560      5.766218
  C      -4.337017      5.645480      4.619841
  O      -3.159853      5.942224      4.455167
  C      -5.406925      5.884014      3.588451
  N      -6.579153      6.245326      4.084799
  C      -7.551295      6.551706      3.200095
  N      -7.483450      6.504482      1.878684
  C      -6.292495      6.096411      1.344600
  C      -6.174263      5.950820     -0.074707
  C      -4.986080      5.504344     -0.648787
  C      -3.871456      5.213866      0.172144
  C      -3.953703      5.363013      1.561106
  C      -5.168041      5.789818      2.182467
  C      -1.360319     -0.596548      3.864644
  C      -1.781002     -0.342420      2.411928
  O      -2.528351      0.860193      2.126871
  C      -3.660323      1.216737      2.812566
  O      -3.615606      1.237316      4.104906
  C      -4.771642      1.772860      2.133808
  N      -5.698137      2.357094      2.969649
  C      -6.794415      2.874750      2.411243
  N      -7.158631      2.881851      1.120593
  C      -6.244690      2.333857      0.249010
  C      -6.552966      2.351503     -1.132880
  C      -5.656538      1.865974     -2.065324
  C      -4.418618      1.350120     -1.636309
  C      -4.094781      1.310282     -0.293839
  C      -4.988879      1.783093      0.689032
  C      -3.980912     -0.497991      6.895474
  C      -5.056436     -0.147572      7.917087
  O      -5.718739      1.090648      7.545619
  C      -6.901909      0.942106      6.880685
  O      -7.413891     -0.159228      6.601868
  C      -7.532292      2.280381      6.570191
  N      -7.188657      3.285887      7.359411
  C      -7.795222      4.468916      7.148819
  N      -8.679403      4.753135      6.238542
  C      -9.012769      3.751627      5.391849
  C      -9.915468      4.025553      4.352688
  C     -10.280411      3.036307      3.473566
  C      -9.755226      1.744625      3.604987
  C      -8.868292      1.443796      4.595464
  C      -8.469547      2.437952      5.516672
  H      -3.266114      3.756243      8.377568
  H      -4.311515      3.014190      7.155389
  H      -3.257387      5.903701      6.862137
  H      -4.767835      5.447185      7.767038
  H      -8.492893      6.868430      3.639961
  H      -7.052037      6.172582     -0.683278
  H      -4.908728      5.365282     -1.735970
  H      -2.941904      4.862832     -0.295829
  H      -3.088160      5.150075      2.188823
  H      -2.195962     -1.051845      4.414666
  H      -0.560930     -1.353440      3.835583
  H      -2.350208     -1.217100      2.044315
  H      -0.887522     -0.220423      1.784176
  H      -7.487515      3.363206      3.105485
  H      -7.515120      2.775745     -1.431741
  H      -5.910415      1.892428     -3.128652
  H      -3.705892      0.975396     -2.365643
  H      -3.130525      0.913241      0.019506
  H      -4.435858     -0.485082      5.894021
  H      -3.655614     -1.539702      7.094997
  H      -5.801202     -0.950514      7.980333
  H      -4.628093      0.041646      8.913449
  H      -7.508576      5.273068      7.823384
  H     -10.291370      5.035388      4.265052
  H     -10.961292      3.254055      2.656489
  H     -10.040597      0.980577      2.887422
  H      -8.458511      0.450014      4.675516
  N      -1.524292      3.405863      3.628458
  H      -2.076089      3.158186      2.826983
  H      -0.546929      3.403613      3.327086
  H      -1.779742      4.337716      3.901520
99
Coordinates from ORCA-job orca E -6652.999518714154
  N      -2.326343      3.365538      6.522408
  Mo     -2.265515      1.665342      5.521838
  N      -2.827724      0.405779      6.919877
  C      -1.909565      0.096446      8.022283
  C      -0.929378      1.241779      8.236324
  N      -0.385744      1.704451      6.938489
  C       0.079497      3.107420      6.987498
  C      -1.116525      4.086127      6.874423
  C       0.649521      0.792380      6.399388
  C       0.502177      0.762934      4.877719
  N      -0.903186      0.604837      4.573938
  H      -0.882385      4.851834      6.123387
  H      -1.268619      4.618756      7.820665
  H       0.762991      3.248147      6.144788
  H       0.654475      3.278431      7.911877
  H       1.102149     -0.056661      4.452465
  H       0.892433      1.704974      4.451175
  H       0.454916     -0.212193      6.795448
  H       1.653180      1.104980      6.726419
  H      -2.454849     -0.069698      8.968059
  H      -1.372606     -0.851115      7.807733
  H      -1.463890      2.092672      8.675882
  H      -0.115050      0.952616      8.921426
  C      -3.504591      3.743064      7.276560
  C      -4.069681      5.114372      6.939124
  O      -4.864684      5.108743      5.731344
  C      -4.318015      5.616751      4.603903
  O      -3.117374      5.918904      4.473561
  C      -5.387667      5.851646      3.556699
  N      -6.576949      6.219153      4.059056
  C      -7.557406      6.538290      3.180581
  N      -7.482660      6.508102      1.863065
  C      -6.274704      6.095651      1.328148
  C      -6.161708      5.984918     -0.065770
  C      -4.968496      5.557481     -0.628005
  C      -3.843295      5.244979      0.178444
  C      -3.916867      5.350522      1.537098
  C      -5.138790      5.768720      2.152691
  C      -1.377202     -0.589170      3.875861
  C      -1.801125     -0.338500      2.414827
  O      -2.543009      0.861923      2.114489
  C      -3.676615      1.219878      2.794348
  O      -3.621857      1.247751      4.123959
  C      -4.781728      1.767109      2.098146
  N      -5.698571      2.357658      2.919618
  C      -6.786732      2.884975      2.357373
  N      -7.152988      2.898397      1.077120
  C      -6.249285      2.339286      0.217715
  C      -6.565576      2.359926     -1.156405
  C      -5.685919      1.858665     -2.099004
  C      -4.447935      1.324929     -1.688603
  C      -4.114101      1.285227     -0.338652
  C      -4.998598      1.773051      0.653140
  C      -3.981550     -0.487732      6.898467
  C      -5.058290     -0.156666      7.922085
  O      -5.725073      1.077055      7.583981
  C      -6.897067      0.961149      6.917504
  O      -7.400193     -0.093208      6.602977
  C      -7.518839      2.293708      6.637129
  N      -7.192140      3.298278      7.441131
  C      -7.810439      4.487344      7.213649
  N      -8.695877      4.767340      6.261898
  C      -9.009139      3.750237      5.406892
  C      -9.914119      4.007027      4.330684
  C     -10.244995      3.003670      3.462741
  C      -9.689036      1.711271      3.631188
  C      -8.798486      1.431230      4.665617
  C      -8.439785      2.440688      5.568760
  H      -3.274347      3.747925      8.362853
  H      -4.300638      2.999759      7.126725
  H      -3.277790      5.869951      6.850058
  H      -4.782746      5.406403      7.727661
  H      -8.525009      6.864908      3.630653
  H      -7.049057      6.222711     -0.658964
  H      -4.897185      5.451157     -1.692447
  H      -2.911010      4.908774     -0.277196
  H      -3.049282      5.125560      2.150775
  H      -2.217032     -1.038813      4.426203
  H      -0.580386     -1.351830      3.849235
  H      -2.374143     -1.212247      2.052930
  H      -0.908419     -0.224070      1.785321
  H      -7.471359      3.384062      3.049171
  H      -7.527989      2.798858     -1.438102
  H      -5.944856      1.883528     -3.157499
  H      -3.744323      0.935032     -2.432396
  H      -3.151869      0.873584     -0.042774
  H      -4.434023     -0.463858      5.898235
  H      -3.658054     -1.527601      7.088155
  H      -5.801740     -0.962006      7.970041
  H      -4.635352      0.014049      8.913751
  H      -7.536717      5.299303      7.892464
  H     -10.314959      5.018941      4.221383
  H     -10.924154      3.208903      2.626456
  H      -9.945631      0.933409      2.928048
  H      -8.361057      0.437755      4.784648
  N      -1.533789      3.426436      3.654963
  H      -2.113679      3.173117      2.829106
  H      -0.551996      3.416211      3.357229
  H      -1.800332      4.404396      3.954296
99
Coordinates from ORCA-job orca E -6652.999943041711
  N      -2.352567      3.376415      6.520867
  Mo     -2.277764      1.675625      5.500831
  N      -2.836498      0.392789      6.897221
  C      -1.910038      0.076155      8.006579
  C      -0.933250      1.226426      8.232786
  N      -0.388599      1.706980      6.927818
  C       0.074524      3.118139      6.992468
  C      -1.133067      4.098585      6.887669
  C       0.658127      0.799993      6.377695
  C       0.516618      0.779870      4.849131
  N      -0.891184      0.618434      4.540052
  H      -0.894185      4.883137      6.138347
  H      -1.289103      4.625279      7.855778
  H       0.762190      3.269648      6.147181
  H       0.649029      3.289468      7.922205
  H       1.121043     -0.035497      4.417183
  H       0.907037      1.728787      4.430044
  H       0.466024     -0.210275      6.766473
  H       1.661962      1.115543      6.709112
  H      -2.453441     -0.100934      8.950903
  H      -1.367193     -0.865524      7.783870
  H      -1.473103      2.072368      8.682795
  H      -0.115514      0.934308      8.915500
  C      -3.542004      3.749192      7.278686
  C      -4.092996      5.124110      6.931794
  O      -4.882741      5.125463      5.716856
  C      -4.359689      5.611243      4.601335
  O      -3.176573      5.880199      4.450408
  C      -5.429039      5.862693      3.573307
  N      -6.607924      6.226986      4.054603
  C      -7.560312      6.535650      3.143483
  N      -7.468168      6.487109      1.821508
  C      -6.283666      6.084337      1.317345
  C      -6.151393      5.954822     -0.088730
  C      -4.979449      5.532941     -0.632577
  C      -3.886924      5.247590      0.206564
  C      -3.978159      5.377104      1.580223
  C      -5.175650      5.778965      2.172260
  C      -1.361853     -0.586650      3.826938
  C      -1.783948     -0.326706      2.368893
  O      -2.526088      0.884715      2.095210
  C      -3.657787      1.241619      2.793790
  O      -3.613753      1.264676      4.101927
  C      -4.768831      1.785451      2.090741
  N      -5.710040      2.383607      2.881767
  C      -6.786641      2.881793      2.283651
  N      -7.122271      2.852750      0.998651
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  C      -6.480081      2.258051     -1.218454
  C      -5.573710      1.739473     -2.129145
  C      -4.342035      1.238419     -1.674332
  C      -4.037199      1.249846     -0.305704
  C      -4.952592      1.755651      0.647845
  C      -3.990638     -0.510930      6.870272
  C      -5.068125     -0.190913      7.905481
  O      -5.742350      1.050307      7.589061
  C      -6.901281      0.945664      6.934133
  O      -7.386734     -0.084361      6.614557
  C      -7.522224      2.286479      6.683904
  N      -7.182007      3.257811      7.537442
  C      -7.798457      4.458518      7.371899
  N      -8.691751      4.781232      6.438413
  C      -9.021516      3.800911      5.527403
  C      -9.936506      4.107334      4.481171
  C     -10.295148      3.135041      3.559070
  C      -9.753472      1.825680      3.640903
  C      -8.850476      1.496404      4.640516
  C      -8.461824      2.475863      5.612137
  H      -3.317743      3.751873      8.366328
  H      -4.340908      3.010538      7.125891
  H      -3.304721      5.862788      6.841253
  H      -4.793948      5.422242      7.705495
  H      -8.513625      6.849137      3.562041
  H      -7.014820      6.171651     -0.707490
  H      -4.884439      5.396754     -1.724267
  H      -2.960198      4.907426     -0.244578
  H      -3.127087      5.165682      2.210750
  H      -2.207060     -1.041790      4.375508
  H      -0.560126     -1.352049      3.795363
  H      -2.357289     -1.195974      2.002223
  H      -0.891966     -0.208827      1.737982
  H      -7.495253      3.389312      2.942401
  H      -7.438824      2.670564     -1.537545
  H      -5.812173      1.722180     -3.197675
  H      -3.617727      0.833007     -2.389292
  H      -3.080309      0.860448      0.031309
  H      -4.443210     -0.478122      5.867090
  H      -3.664687     -1.556151      7.052709
  H      -5.807943     -1.002916      7.945653
  H      -4.640738     -0.027428      8.902173
  H      -7.516587      5.240341      8.098490
  H     -10.327134      5.127382      4.435960
  H     -10.985037      3.375367      2.752442
  H     -10.036084      1.073490      2.893435
  H      -8.427846      0.494962      4.691935
  N      -1.529099      3.455002      3.643228
  H      -2.091288      3.206378      2.818305
  H      -0.560180      3.449725      3.352425
  H      -1.791841      4.410978      3.931317
99
Coordinates from ORCA-job orca E -6652.999787107657
  N      -2.328285      3.367854      6.514403
  Mo     -2.260551      1.661365      5.497229
  N      -2.826160      0.394457      6.904461
  C      -1.900657      0.083167      8.016717
  C      -0.913769      1.226761      8.231439
  N      -0.365798      1.693343      6.920725
  C       0.106224      3.104442      6.977248
  C      -1.099991      4.090963      6.877011
  C       0.673611      0.778276      6.372406
  C       0.532573      0.751801      4.843209
  N      -0.881249      0.595802      4.537546
  H      -0.860973      4.878552      6.119319
  H      -1.254035      4.621868      7.849251
  H       0.794034      3.247624      6.122587
  H       0.690590      3.274447      7.911417
  H       1.133530     -0.069591      4.414169
  H       0.927001      1.696274      4.419417
  H       0.477156     -0.227720      6.766296
  H       1.682977      1.091284      6.700783
  H      -2.444089     -0.080461      8.965239
  H      -1.365674     -0.865552      7.802377
  H      -1.446151      2.079785      8.674357
  H      -0.097009      0.933495      8.917594
  C      -3.520510      3.753377      7.284237
  C      -4.075952      5.138804      6.945525
  O      -4.881664      5.135563      5.738626
  C      -4.363152      5.634180      4.600527
  O      -3.200239      5.921723      4.431550
  C      -5.434475      5.880280      3.576913
  N      -6.608787      6.251848      4.063199
  C      -7.577715      6.570670      3.171711
  N      -7.512834      6.533282      1.869549
  C      -6.328241      6.117652      1.352895
  C      -6.215789      5.986059     -0.044318
  C      -5.029813      5.528806     -0.606309
  C      -3.908801      5.214346      0.205597
  C      -3.985810      5.351681      1.573304
  C      -5.198345      5.789835      2.183640
  C      -1.348733     -0.604688      3.831039
  C      -1.769316     -0.339679      2.378918
  O      -2.518467      0.871474      2.113732
  C      -3.651582      1.221875      2.810987
  O      -3.610463      1.246794      4.097295
  C      -4.768576      1.771137      2.124726
  N      -5.712857      2.360534      2.938158
  C      -6.792760      2.866705      2.352447
  N      -7.123975      2.857113      1.058249
  C      -6.192835      2.301722      0.208324
  C      -6.462982      2.300386     -1.180893
  C      -5.546723      1.803413     -2.085750
  C      -4.328594      1.293813     -1.627931
  C      -4.040261      1.274018     -0.275293
  C      -4.955285      1.760780      0.678079
  C      -3.981945     -0.503929      6.899396
  C      -5.046899     -0.147546      7.931518
  O      -5.717743      1.094186      7.567052
  C      -6.909202      0.930356      6.918541
  O      -7.421457     -0.184534      6.655078
  C      -7.552771      2.278862      6.609967
  N      -7.204841      3.276479      7.406888
  C      -7.816912      4.471912      7.213721
  N      -8.709475      4.778636      6.313500
  C      -9.048711      3.788385      5.453234
  C      -9.957288      4.091489      4.419942
  C     -10.328690      3.109105      3.510938
  C      -9.805008      1.794789      3.612048
  C      -8.913180      1.465586      4.602537
  C      -8.503630      2.455617      5.554618
  H      -3.288011      3.757565      8.372206
  H      -4.327735      3.014400      7.140405
  H      -3.272071      5.895791      6.851086
  H      -4.782737      5.441322      7.738066
  H      -8.523566      6.900917      3.600874
  H      -7.099468      6.226097     -0.646416
  H      -4.952895      5.396199     -1.683840
  H      -2.974993      4.851013     -0.256452
  H      -3.113539      5.120160      2.191556
  H      -2.187807     -1.063166      4.378897
  H      -0.546926     -1.367592      3.798190
  H      -2.336973     -1.212178      2.007654
  H      -0.876465     -0.212464      1.747647
  H      -7.504330      3.359826      3.024821
  H      -7.410914      2.719743     -1.503010
  H      -5.770206      1.815778     -3.149526
  H      -3.601134      0.908794     -2.335025
  H      -3.089949      0.881547      0.064730
  H      -4.445341     -0.492941      5.901001
  H      -3.656605     -1.546105      7.101144
  H      -5.790553     -0.952638      8.003907
  H      -4.604313      0.044593      8.925816
  H      -7.527989      5.267281      7.899175
  H     -10.331577      5.115190      4.353779
  H     -11.014127      3.348044      2.693639
  H     -10.096737      1.035921      2.867829
  H      -8.505629      0.458737      4.657771
  N      -1.512882      3.417842      3.623139
  H      -2.071854      3.171357      2.806533
  H      -0.531644      3.410009      3.327471
  H      -1.769162      4.351698      3.903647
99
Coordinates from ORCA-job orca E -6653.001322930552
  N      -2.322786      3.367792      6.524848
  Mo     -2.261953      1.664911      5.513892
  N      -2.826622      0.399705      6.913032
  C      -1.907328      0.088528      8.019746
  C      -0.925930      1.233803      8.238193
  N      -0.380394      1.700280      6.936454
  C       0.086957      3.105699      6.988465
  C      -1.105373      4.080129      6.885592
  C       0.658006      0.788739      6.395512
  C       0.515392      0.760254      4.870752
  N      -0.892247      0.602277      4.563411
  H      -0.867469      4.847412      6.148245
  H      -1.254872      4.599561      7.831876
  H       0.762997      3.248245      6.143853
  H       0.665362      3.275277      7.906849
  H       1.115901     -0.059743      4.445723
  H       0.908093      1.702341      4.445345
  H       0.462623     -0.216225      6.790274
  H       1.662509      1.103173      6.725719
  H      -2.454522     -0.079648      8.964841
  H      -1.369849     -0.858928      7.804266
  H      -1.460197      2.084056      8.679459
  H      -0.110745      0.942327      8.922961
  C      -3.501159      3.760646      7.289325
  C      -4.056815      5.143456      6.953657
  O      -4.868008      5.142457      5.758759
  C      -4.331508      5.641364      4.618405
  O      -3.142899      5.930187      4.463165
  C      -5.404707      5.877966      3.580643
  N      -6.591355      6.260268      4.090072
  C      -7.562376      6.565536      3.201070
  N      -7.476047      6.500391      1.859617
  C      -6.270664      6.076038      1.315752
  C      -6.145538      5.933781     -0.106549
  C      -4.968740      5.515329     -0.658921
  C      -3.865024      5.233841      0.176350
  C      -3.942629      5.358869      1.553544
  C      -5.152964      5.773693      2.163352
  C      -1.360403     -0.590294      3.861271
  C      -1.779209     -0.329864      2.406768
  O      -2.521834      0.875035      2.124731
  C      -3.659521      1.223801      2.806844
  O      -3.612064      1.252907      4.114688
  C      -4.774473      1.766613      2.120424
  N      -5.701841      2.351099      2.952061
  C      -6.799131      2.876492      2.399344
  N      -7.164099      2.894545      1.120116
  C      -6.251897      2.339742      0.247608
  C      -6.566729      2.360343     -1.129843
  C      -5.676761      1.861189     -2.077873
  C      -4.433868      1.333373     -1.664437
  C      -4.102748      1.293486     -0.320120
  C      -4.993650      1.776307      0.675589
  C      -3.980537     -0.496921      6.892592
  C      -5.055426     -0.155826      7.917575
  O      -5.723152      1.079563      7.560303
  C      -6.904960      0.941481      6.894455
  O      -7.418463     -0.153177      6.601012
  C      -7.533168      2.278360      6.594233
  N      -7.193026      3.282839      7.389455
  C      -7.801657      4.468111      7.167086
  N      -8.685146      4.753297      6.236743
  C      -9.015618      3.748077      5.389837
  C      -9.920385      4.019708      4.339811
  C     -10.279226      3.027860      3.474643
  C      -9.748031      1.734485      3.623345
  C      -8.859389      1.437361      4.626572
  C      -8.467579      2.434389      5.534196
  H      -3.262875      3.764913      8.372817
  H      -4.306347      3.024725      7.149859
  H      -3.253446      5.895516      6.848840
  H      -4.758241      5.451130      7.752006
  H      -8.515213      6.892160      3.648392
  H      -7.016544      6.149686     -0.722326
  H      -4.893363      5.391152     -1.739137
  H      -2.950148      4.908639     -0.269913
  H      -3.086832      5.153075      2.189462
  H      -2.199907     -1.044385      4.407961
  H      -0.563462     -1.350718      3.832549
  H      -2.350999     -1.200967      2.036581
  H      -0.885285     -0.208955      1.779393
  H      -7.490644      3.367553      3.093770
  H      -7.533924      2.793815     -1.415334
  H      -5.936678      1.885223     -3.141632
  H      -3.725023      0.947162     -2.407081
  H      -3.135113      0.885291     -0.022626
  H      -4.434568     -0.478423      5.891934
  H      -3.655283     -1.538238      7.085633
  H      -5.798603     -0.960483      7.978514
  H      -4.626841      0.027227      8.910174
  H      -7.516887      5.274609      7.842758
  H     -10.302836      5.031584      4.244793
  H     -10.962003      3.243806      2.652776
  H     -10.028866      0.966616      2.918496
  H      -8.443620      0.442410      4.725746
  N      -1.521465      3.424749      3.645665
  H      -2.076485      3.181162      2.839616
  H      -0.551843      3.420723      3.347137
  H      -1.777896      4.364946      3.926224
99
Coordinates from ORCA-job orca E -6653.000488293905
  N      -2.330327      3.372382      6.526799
  Mo     -2.266916      1.675190      5.514730
  N      -2.834852      0.406848      6.907140
  C      -1.916866      0.089516      8.011462
  C      -0.934603      1.234024      8.232728
  N      -0.389989      1.703695      6.934379
  C       0.075154      3.108843      6.989667
  C      -1.118657      4.085253      6.893708
  C       0.647273      0.791671      6.391187
  C       0.501726      0.767116      4.866668
  N      -0.905383      0.613256      4.560712
  H      -0.882022      4.865283      6.163248
  H      -1.271004      4.594230      7.851256
  H       0.749256      3.258553      6.148130
  H       0.650765      3.276748      7.905339
  H       1.099753     -0.053138      4.439565
  H       0.896156      1.709953      4.442131
  H       0.449739     -0.215212      6.782658
  H       1.651616      1.101352      6.721318
  H      -2.463682     -0.080497      8.955926
  H      -1.380708     -0.857710      7.792314
  H      -1.467839      2.083669      8.678730
  H      -0.120055      0.939576      8.915381
  C      -3.511043      3.748270      7.277460
  C      -4.064992      5.119672      6.933394
  O      -4.852794      5.112972      5.723935
  C      -4.318887      5.607180      4.604833
  O      -3.122683      5.891072      4.465397
  C      -5.393689      5.848184      3.572158
  N      -6.566936      6.203700      4.064930
  C      -7.542528      6.518243      3.183555
  N      -7.476170      6.491635      1.872908
  C      -6.285526      6.091612      1.348376
  C      -6.172434      5.976015     -0.050371
  C      -4.980049      5.532613     -0.626922
  C      -3.863170      5.224115      0.181962
  C      -3.941959      5.348237      1.554596
  C      -5.154359      5.767986      2.173625
  C      -1.386780     -0.576473      3.854972
  C      -1.809056     -0.314105      2.397432
  O      -2.541206      0.894432      2.115202
  C      -3.675580      1.247325      2.798328
  O      -3.623119      1.275650      4.116865
  C      -4.779149      1.785449      2.102954
  N      -5.705375      2.376819      2.913814
  C      -6.788640      2.890648      2.341325
  N      -7.145412      2.880495      1.057542
  C      -6.233529      2.322236      0.212179
  C      -6.541105      2.319071     -1.167647
  C      -5.652170      1.816054     -2.096877
  C      -4.414025      1.302621     -1.667820
  C      -4.089010      1.285354     -0.312769
  C      -4.984251      1.775950      0.662967
  C      -3.994049     -0.484062      6.877286
  C      -5.075368     -0.155311      7.901273
  O      -5.738371      1.080076      7.568245
  C      -6.893727      0.979584      6.902342
  O      -7.382754     -0.048139      6.582321
  C      -7.510449      2.306851      6.634618
  N      -7.180647      3.302775      7.461319
  C      -7.800284      4.489184      7.257481
  N      -8.691092      4.771173      6.309949
  C      -9.007853      3.759708      5.432125
  C      -9.920463      4.015652      4.372872
  C     -10.258745      3.016727      3.495510
  C      -9.700775      1.730226      3.630975
  C      -8.801411      1.450260      4.641409
  C      -8.436868      2.454954      5.564747
  H      -3.286754      3.752570      8.363653
  H      -4.308798      3.008387      7.122543
  H      -3.278250      5.862249      6.842461
  H      -4.772037      5.416765      7.710457
  H      -8.487929      6.817831      3.614236
  H      -7.052808      6.207294     -0.646637
  H      -4.898664      5.403358     -1.711552
  H      -2.924668      4.865279     -0.293264
  H      -3.077110      5.119974      2.165911
  H      -2.233056     -1.022184      4.401742
  H      -0.594733     -1.343566      3.825917
  H      -2.389816     -1.178223      2.027740
  H      -0.917179     -0.201801      1.770005
  H      -7.480987      3.394253      3.021547
  H      -7.503684      2.742414     -1.464889
  H      -5.907009      1.821096     -3.161415
  H      -3.702495      0.910869     -2.397920
  H      -3.127966      0.887203     -0.001395
  H      -4.442342     -0.451271      5.873014
  H      -3.675773     -1.529193      7.063295
  H      -5.819419     -0.961063      7.942681
  H      -4.657441      0.012039      8.896037
  H      -7.524166      5.295530      7.956457
  H     -10.323921      5.022813      4.287387
  H     -10.945593      3.220133      2.679996
  H      -9.965626      0.956319      2.919762
  H      -8.364317      0.461775      4.736569
  N      -1.512330      3.446519      3.654090
  H      -2.084747      3.190098      2.833789
  H      -0.526313      3.430339      3.359550
  H      -1.772238      4.422774      3.941907
99
Coordinates from ORCA-job orca E -6653.002333676606
  N      -2.330300      3.369929      6.526039
  Mo     -2.262050      1.669590      5.503230
  N      -2.825008      0.398173      6.905015
  C      -1.898521      0.081374      8.011673
  C      -0.910178      1.223275      8.228815
  N      -0.366637      1.694670      6.919984
  C       0.104789      3.104240      6.979605
  C      -1.107530      4.093940      6.898847
  C       0.670730      0.780721      6.365758
  C       0.524630      0.758356      4.837631
  N      -0.886954      0.606248      4.535568
  H      -0.870489      4.901874      6.148198
  H      -1.264223      4.612863      7.888268
  H       0.784249      3.252900      6.113858
  H       0.701461      3.269976      7.910843
  H       1.122149     -0.063457      4.404435
  H       0.920586      1.702979      4.415247
  H       0.474449     -0.227315      6.757047
  H       1.679627      1.091487      6.691952
  H      -2.439554     -0.086360      8.959830
  H      -1.364825     -0.866096      7.791934
  H      -1.440508      2.075187      8.678448
  H      -0.091564      0.925919      8.910117
  C      -3.528094      3.737805      7.287153
  C      -4.085395      5.121118      6.952535
  O      -4.877371      5.119390      5.734407
  C      -4.350286      5.626571      4.608225
  O      -3.174288      5.923813      4.459703
  C      -5.416035      5.871225      3.572866
  N      -6.597120      6.238718      4.055386
  C      -7.557982      6.546770      3.149227
  N      -7.475686      6.498575      1.835578
  C      -6.289605      6.094085      1.330367
  C      -6.168822      5.967398     -0.064241
  C      -4.988803      5.545853     -0.607345
  C      -3.879644      5.256523      0.221152
  C      -3.963321      5.381745      1.583383
  C      -5.169344      5.786734      2.176952
  C      -1.362177     -0.591154      3.821933
  C      -1.787948     -0.320402      2.367137
  O      -2.535540      0.894853      2.105404
  C      -3.669344      1.241060      2.805048
  O      -3.617417      1.267502      4.109316
  C      -4.788135      1.778686      2.109454
  N      -5.726722      2.370155      2.909488
  C      -6.800767      2.867105      2.307251
  N      -7.133144      2.846502      1.009311
  C      -6.207816      2.286009      0.176326
  C      -6.480725      2.272270     -1.216016
  C      -5.573125      1.766026     -2.115621
  C      -4.356329      1.255741     -1.654498
  C      -4.063069      1.250401     -0.287770
  C      -4.974327      1.750864      0.660326
  C      -3.984814     -0.493645      6.892722
  C      -5.054199     -0.149160      7.925275
  O      -5.731783      1.090432      7.581585
  C      -6.911356      0.950177      6.937918
  O      -7.409371     -0.116828      6.656062
  C      -7.548875      2.292398      6.652012
  N      -7.207026      3.286278      7.460339
  C      -7.827051      4.485561      7.273068
  N      -8.724863      4.791808      6.360229
  C      -9.053957      3.792577      5.486514
  C      -9.963542      4.086116      4.433848
  C     -10.314784      3.094104      3.515530
  C      -9.774473      1.777434      3.625108
  C      -8.879363      1.460407      4.639772
  C      -8.492829      2.461941      5.593663
  H      -3.309353      3.735359      8.379792
  H      -4.327766      2.991808      7.128412
  H      -3.290079      5.880372      6.868923
  H      -4.797216      5.411650      7.739670
  H      -8.527602      6.891577      3.588437
  H      -7.045443      6.190503     -0.675393
  H      -4.906591      5.423223     -1.681522
  H      -2.945664      4.920437     -0.227682
  H      -3.103258      5.171173      2.212529
  H      -2.203967     -1.047693      4.372417
  H      -0.561798     -1.359697      3.782995
  H      -2.359264     -1.190428      1.996241
  H      -0.895830     -0.194507      1.732920
  H      -7.509642      3.365370      2.971895
  H      -7.427240      2.691008     -1.540418
  H      -5.797716      1.768898     -3.178877
  H      -3.632492      0.859628     -2.361841
  H      -3.115209      0.859042      0.056418
  H      -4.443598     -0.469575      5.892348
  H      -3.665537     -1.538172      7.086517
  H      -5.794098     -0.959584      7.986289
  H      -4.617404      0.034883      8.919887
  H      -7.544601      5.282751      7.966339
  H     -10.350570      5.111267      4.362352
  H     -10.996577      3.324889      2.688391
  H     -10.049909      1.009296      2.877836
  H      -8.456092      0.453641      4.704569
  N      -1.511357      3.435305      3.641811
  H      -2.074630      3.186612      2.812600
  H      -0.540053      3.430766      3.347367
  H      -1.775225      4.382059      3.929977
99
Coordinates from ORCA-job orca E -6653.001386201566
  N      -2.311162      3.370536      6.523386
  Mo     -2.253063      1.663858      5.508550
  N      -2.824206      0.398476      6.913127
  C      -1.903862      0.085486      8.026087
  C      -0.915701      1.226979      8.243847
  N      -0.366520      1.691322      6.936273
  C       0.108939      3.098730      6.985967
  C      -1.085688      4.077088      6.891599
  C       0.672408      0.774137      6.395293
  C       0.534094      0.746159      4.867666
  N      -0.877288      0.593673      4.556009
  H      -0.846135      4.852387      6.158189
  H      -1.233813      4.590352      7.846396
  H       0.781517      3.237742      6.131483
  H       0.698770      3.269828      7.903988
  H       1.132500     -0.077124      4.443281
  H       0.932845      1.687672      4.443398
  H       0.472818     -0.230235      6.789579
  H       1.678623      1.085732      6.727374
  H      -2.452782     -0.077340      8.971356
  H      -1.370437     -0.865195      7.813616
  H      -1.446024      2.080612      8.685268
  H      -0.100956      0.931359      8.929313
  C      -3.492646      3.771669      7.285588
  C      -4.041257      5.153109      6.939262
  O      -4.857416      5.156951      5.747499
  C      -4.345046      5.644448      4.609456
  O      -3.179529      5.919337      4.428813
  C      -5.426008      5.890552      3.595699
  N      -6.596572      6.275391      4.098438
  C      -7.569620      6.590641      3.215812
  N      -7.507211      6.541293      1.899752
  C      -6.320291      6.112172      1.362897
  C      -6.207173      5.967573     -0.051254
  C      -5.028882      5.508980     -0.620514
  C      -3.914189      5.196389      0.194354
  C      -3.986197      5.335695      1.571157
  C      -5.193288      5.784152      2.191593
  C      -1.346951     -0.599025      3.841362
  C      -1.759157     -0.322338      2.387708
  O      -2.500132      0.891579      2.127532
  C      -3.642288      1.230267      2.817955
  O      -3.602171      1.260910      4.110412
  C      -4.769358      1.768048      2.133722
  N      -5.714200      2.348589      2.957260
  C      -6.811127      2.867885      2.397914
  N      -7.157962      2.886496      1.126486
  C      -6.231707      2.332248      0.258973
  C      -6.528896      2.347192     -1.119169
  C      -5.623721      1.843373     -2.061603
  C      -4.384494      1.319683     -1.638674
  C      -4.070230      1.286407     -0.294321
  C      -4.976086      1.772668      0.691232
  C      -3.981231     -0.498461      6.901846
  C      -5.051133     -0.139697      7.927156
  O      -5.720542      1.094281      7.550469
  C      -6.903953      0.930424      6.891101
  O      -7.410313     -0.187265      6.623084
  C      -7.541795      2.271220      6.569342
  N      -7.189659      3.276910      7.360377
  C      -7.796084      4.466939      7.136074
  N      -8.687230      4.758737      6.211076
  C      -9.033373      3.759443      5.365091
  C      -9.946312      4.045280      4.324574
  C     -10.328307      3.056770      3.452964
  C      -9.809652      1.753665      3.588070
  C      -8.913019      1.440942      4.580588
  C      -8.494255      2.435195      5.501613
  H      -3.253103      3.778940      8.367010
  H      -4.302057      3.044208      7.149630
  H      -3.237913      5.893361      6.830435
  H      -4.733875      5.468105      7.729256
  H      -8.496457      6.902393      3.642436
  H      -7.084969      6.202721     -0.656441
  H      -4.956673      5.372546     -1.704218
  H      -2.993839      4.834312     -0.268998
  H      -3.119183      5.102709      2.192863
  H      -2.190961     -1.056935      4.382288
  H      -0.550523     -1.363829      3.809383
  H      -2.330561     -1.190221      2.006623
  H      -0.862814     -0.193495      1.760990
  H      -7.516838      3.356133      3.081383
  H      -7.494254      2.776678     -1.413726
  H      -5.871877      1.862617     -3.126199
  H      -3.665201      0.930107     -2.374481
  H      -3.103972      0.881293      0.014957
  H      -4.438988     -0.488869      5.902303
  H      -3.657636     -1.539616      7.104508
  H      -5.794877     -0.943090      8.004332
  H      -4.613790      0.059881      8.917662
  H      -7.500613      5.271262      7.809991
  H     -10.318939      5.061870      4.238179
  H     -11.019041      3.283179      2.638738
  H     -10.110850      0.990577      2.877882
  H      -8.509917      0.440794      4.667577
  N      -1.499783      3.425869      3.640608
  H      -2.057609      3.181165      2.828572
  H      -0.522113      3.415084      3.345739
  H      -1.753100      4.365173      3.920527
99
Coordinates from ORCA-job orca E -6653.003053884266
  N      -2.317540      3.374023      6.532993
  Mo     -2.258430      1.679588      5.509931
  N      -2.833897      0.410739      6.902254
  C      -1.915042      0.086099      8.007355
  C      -0.926252      1.223442      8.231040
  N      -0.380640      1.694280      6.931432
  C       0.089091      3.098264      6.987063
  C      -1.102361      4.078787      6.917492
  C       0.652518      0.779635      6.384115
  C       0.506792      0.755782      4.859289
  N      -0.902960      0.611404      4.553354
  H      -0.864835      4.879697      6.207421
  H      -1.254087      4.562273      7.889941
  H       0.747895      3.247696      6.136273
  H       0.680312      3.260401      7.892526
  H       1.100041     -0.068479      4.433948
  H       0.907568      1.695072      4.433523
  H       0.451277     -0.225678      6.776115
  H       1.659801      1.085028      6.714072
  H      -2.461544     -0.084268      8.952391
  H      -1.383217     -0.863135      7.785587
  H      -1.453336      2.074274      8.680612
  H      -0.112056      0.922010      8.911907
  C      -3.503859      3.758930      7.285267
  C      -4.051046      5.139804      6.948136
  O      -4.841328      5.130367      5.734618
  C      -4.299402      5.615497      4.606885
  O      -3.109617      5.898440      4.461212
  C      -5.375002      5.846545      3.570506
  N      -6.557079      6.226531      4.080381
  C      -7.540102      6.538663      3.204403
  N      -7.471478      6.485582      1.879833
  C      -6.269085      6.060548      1.333808
  C      -6.160348      5.930211     -0.072506
  C      -4.981641      5.501329     -0.637168
  C      -3.864618      5.209078      0.177526
  C      -3.931743      5.334876      1.548060
  C      -5.137279      5.748624      2.162764
  C      -1.389273     -0.570645      3.844430
  C      -1.812731     -0.297389      2.396016
  O      -2.539150      0.913632      2.127757
  C      -3.672742      1.260204      2.809860
  O      -3.621309      1.298215      4.117454
  C      -4.783119      1.791617      2.124516
  N      -5.714184      2.374077      2.949059
  C      -6.805389      2.880758      2.380916
  N      -7.168535      2.863886      1.080449
  C      -6.252461      2.316511      0.223648
  C      -6.561463      2.316821     -1.163021
  C      -5.660109      1.841491     -2.079127
  C      -4.414364      1.350742     -1.629865
  C      -4.092267      1.323646     -0.282948
  C      -4.993288      1.788158      0.682787
  C      -3.996239     -0.477696      6.879315
  C      -5.070333     -0.133283      7.905291
  O      -5.732337      1.100301      7.547531
  C      -6.902444      0.972589      6.882109
  O      -7.406748     -0.101730      6.585545
  C      -7.529257      2.301921      6.583004
  N      -7.195529      3.317938      7.378441
  C      -7.811162      4.499097      7.164431
  N      -8.698413      4.767886      6.245874
  C      -9.020929      3.747590      5.398755
  C      -9.927196      3.999240      4.365486
  C     -10.274595      2.991453      3.505595
  C      -9.730737      1.700487      3.642204
  C      -8.840205      1.422915      4.626196
  C      -8.461628      2.437380      5.531433
  H      -3.283126      3.754880      8.374135
  H      -4.308321      3.024770      7.124899
  H      -3.248810      5.889238      6.859409
  H      -4.767116      5.441809      7.733643
  H      -8.497765      6.874514      3.660052
  H      -7.040862      6.152286     -0.672406
  H      -4.909546      5.369064     -1.719385
  H      -2.944750      4.869406     -0.283854
  H      -3.066452      5.119055      2.165675
  H      -2.235017     -1.012619      4.386738
  H      -0.603891     -1.340949      3.811802
  H      -2.396450     -1.150809      2.020267
  H      -0.926071     -0.185474      1.771805
  H      -7.499429      3.376740      3.071514
  H      -7.529533      2.725569     -1.473329
  H      -5.913890      1.854374     -3.146221
  H      -3.695014      0.985882     -2.343007
  H      -3.123473      0.942942      0.041377
  H      -4.449075     -0.451538      5.877079
  H      -3.680715     -1.523573      7.068877
  H      -5.815920     -0.936145      7.965490
  H      -4.645107      0.049332      8.897316
  H      -7.531586      5.316911      7.841479
  H     -10.319144      5.009636      4.277261
  H     -10.958067      3.191361      2.699699
  H     -10.003646      0.918262      2.940909
  H      -8.415578      0.429906      4.717734
  N      -1.487273      3.450904      3.654314
  H      -2.044210      3.196312      2.847610
  H      -0.503886      3.434089      3.362902
  H      -1.741725      4.407967      3.928337
99
Coordinates from ORCA-job orca E -6653.001602220056
  N      -2.326356      3.369326      6.534650
  Mo     -2.263584      1.675457      5.513138
  N      -2.823884      0.406701      6.909283
  C      -1.897505      0.086745      8.005433
  C      -0.908614      1.226964      8.220597
  N      -0.373383      1.697551      6.916244
  C       0.095899      3.102231      6.969190
  C      -1.113361      4.087945      6.912245
  C       0.657634      0.784697      6.359984
  C       0.500818      0.760047      4.836197
  N      -0.908555      0.611704      4.544124
  H      -0.881963      4.909689      6.182691
  H      -1.268475      4.580782      7.907174
  H       0.757552      3.254896      6.096443
  H       0.705035      3.265208      7.885953
  H       1.092611     -0.063946      4.403155
  H       0.896364      1.700812      4.408272
  H       0.462069     -0.222761      6.752499
  H       1.666583      1.092958      6.681229
  H      -2.436077     -0.083336      8.954743
  H      -1.366127     -0.860912      7.780883
  H      -1.434498      2.077881      8.674951
  H      -0.088012      0.926954      8.895749
  C      -3.518685      3.731822      7.291300
  C      -4.085642      5.112668      6.964240
  O      -4.874612      5.109759      5.751465
  C      -4.335195      5.632153      4.626351
  O      -3.137478      5.936429      4.493808
  C      -5.402411      5.874900      3.580610
  N      -6.577079      6.230901      4.062262
  C      -7.539941      6.537637      3.158487
  N      -7.455488      6.497010      1.835611
  C      -6.269118      6.102010      1.328279
  C      -6.143752      5.980451     -0.075843
  C      -4.957564      5.556792     -0.630598
  C      -3.851558      5.263631      0.198491
  C      -3.942072      5.389109      1.576149
  C      -5.152795      5.795159      2.178660
  C      -1.393634     -0.575218      3.836180
  C      -1.825738     -0.305961      2.382782
  O      -2.564712      0.907530      2.116840
  C      -3.699821      1.252111      2.806585
  O      -3.642226      1.288724      4.127965
  C      -4.804854      1.785365      2.108868
  N      -5.732313      2.391851      2.914346
  C      -6.796999      2.907571      2.331094
  N      -7.134523      2.889984      1.044766
  C      -6.223484      2.311180      0.205717
  C      -6.507731      2.298789     -1.175244
  C      -5.618949      1.771339     -2.101708
  C      -4.407808      1.239334     -1.672735
  C      -4.102606      1.234255     -0.311075
  C      -4.996979      1.755157      0.664133
  C      -3.984732     -0.479058      6.892593
  C      -5.055181     -0.146843      7.927841
  O      -5.737126      1.086928      7.596512
  C      -6.910890      0.968180      6.943508
  O      -7.405284     -0.070933      6.638542
  C      -7.537075      2.298406      6.667906
  N      -7.208519      3.291465      7.476483
  C      -7.833766      4.479834      7.264561
  N      -8.727363      4.766775      6.319069
  C      -9.039169      3.758755      5.450437
  C      -9.944050      4.021918      4.362876
  C     -10.268085      3.025562      3.465782
  C      -9.707728      1.733899      3.617411
  C      -8.816850      1.447537      4.666717
  C      -8.463320      2.451003      5.597643
  H      -3.300533      3.727968      8.383086
  H      -4.312978      2.980115      7.128267
  H      -3.298195      5.876231      6.879157
  H      -4.800619      5.396544      7.753933
  H      -8.503032      6.862315      3.594387
  H      -7.016783      6.202260     -0.687806
  H      -4.870069      5.431137     -1.714938
  H      -2.916414      4.922831     -0.259374
  H      -3.085749      5.173218      2.203315
  H      -2.236393     -1.022303      4.388958
  H      -0.599662     -1.345625      3.796909
  H      -2.404934     -1.170952      2.013560
  H      -0.934977     -0.186429      1.747737
  H      -7.492826      3.419938      3.000479
  H      -7.449859      2.734662     -1.474663
  H      -5.854551      1.772723     -3.161863
  H      -3.697192      0.825053     -2.403478
  H      -3.161059      0.824944      0.004520
  H      -4.441747     -0.446493      5.892315
  H      -3.667151     -1.525563      7.079000
  H      -5.791784     -0.959946      7.983108
  H      -4.623423      0.030015      8.918891
  H      -7.560935      5.284185      7.953453
  H     -10.346364      5.032557      4.261764
  H     -10.944537      3.234376      2.616511
  H      -9.959471      0.960283      2.887633
  H      -8.375853      0.456677      4.767966
  N      -1.509056      3.443854      3.657954
  H      -2.072124      3.191854      2.837721
  H      -0.539470      3.437090      3.359728
  H      -1.769643      4.396893      3.940897
99
Coordinates from ORCA-job orca E -6653.001517408464
  N      -2.298809      3.374713      6.536406
  Mo     -2.242218      1.671003      5.516512
  N      -2.821417      0.405480      6.920193
  C      -1.902633      0.083347      8.032621
  C      -0.906321      1.218545      8.254124
  N      -0.356435      1.683890      6.945226
  C       0.125244      3.091215      6.993404
  C      -1.071289      4.074164      6.918569
  C       0.680968      0.763321      6.399474
  C       0.543861      0.739467      4.870225
  N      -0.866950      0.594200      4.555841
  H      -0.831002      4.868051      6.196021
  H      -1.218009      4.571660      7.891763
  H       0.789693      3.230613      6.122429
  H       0.733190      3.264508      7.907925
  H       1.138904     -0.086847      4.443000
  H       0.948812      1.681104      4.448612
  H       0.478619     -0.242735      6.791612
  H       1.688506      1.070869      6.731637
  H      -2.451887     -0.079786      8.976591
  H      -1.374353     -0.868782      7.816354
  H      -1.431184      2.074562      8.701226
  H      -0.091900      0.914900      8.937542
  C      -3.488786      3.764817      7.287427
  C      -4.037710      5.141384      6.935076
  O      -4.843341      5.141921      5.734559
  C      -4.332651      5.621940      4.607296
  O      -3.164838      5.898613      4.432562
  C      -5.411070      5.867239      3.593463
  N      -6.580439      6.248697      4.090302
  C      -7.549404      6.559413      3.197817
  N      -7.488676      6.514032      1.890332
  C      -6.312885      6.096272      1.370436
  C      -6.208938      5.965794     -0.024979
  C      -5.033993      5.519730     -0.588137
  C      -3.912550      5.205069      0.218630
  C      -3.976747      5.329281      1.578164
  C      -5.181173      5.767550      2.194893
  C      -1.342534     -0.597720      3.827265
  C      -1.752619     -0.302014      2.368061
  O      -2.496655      0.925301      2.127960
  C      -3.643531      1.256017      2.825890
  O      -3.596472      1.288811      4.124085
  C      -4.780136      1.784084      2.130798
  N      -5.730500      2.350575      2.928858
  C      -6.831294      2.844494      2.336366
  N      -7.178861      2.853268      1.059127
  C      -6.247573      2.312186      0.220422
  C      -6.546279      2.316555     -1.166965
  C      -5.635041      1.825185     -2.094327
  C      -4.386450      1.318969     -1.653330
  C      -4.067586      1.297028     -0.288277
  C      -4.984523      1.776314      0.682813
  C      -3.986058     -0.481435      6.905943
  C      -5.059797     -0.114006      7.925838
  O      -5.730293      1.120202      7.549458
  C      -6.900220      0.957809      6.898553
  O      -7.387227     -0.128846      6.638864
  C      -7.540561      2.295157      6.575266
  N      -7.183948      3.304209      7.366576
  C      -7.800096      4.500753      7.153723
  N      -8.709279      4.790528      6.237249
  C      -9.058534      3.777603      5.384884
  C      -9.988124      4.053813      4.346866
  C     -10.369711      3.046524      3.462088
  C      -9.838318      1.733455      3.581288
  C      -8.921929      1.432533      4.578784
  C      -8.504817      2.448173      5.509988
  H      -3.261772      3.770596      8.371282
  H      -4.294754      3.034277      7.138552
  H      -3.242038      5.878937      6.834091
  H      -4.733074      5.450800      7.712204
  H      -8.488520      6.879366      3.625268
  H      -7.093738      6.204128     -0.622997
  H      -4.970783      5.398929     -1.654980
  H      -2.988274      4.850433     -0.242819
  H      -3.106767      5.094334      2.193966
  H      -2.192927     -1.061567      4.367071
  H      -0.544848     -1.368992      3.786665
  H      -2.325438     -1.172612      1.975465
  H      -0.848543     -0.162610      1.735742
  H      -7.543391      3.323636      3.001254
  H      -7.517821      2.730882     -1.477256
  H      -5.883838      1.839541     -3.159126
  H      -3.659127      0.935511     -2.382816
  H      -3.094780      0.907583      0.040780
  H      -4.440091     -0.466224      5.904204
  H      -3.672640     -1.523974      7.109954
  H      -5.803987     -0.917821      8.000080
  H      -4.625589      0.090072      8.919082
  H      -7.501341      5.310020      7.826074
  H     -10.369400      5.075986      4.270802
  H     -11.069484      3.263752      2.655456
  H     -10.139233      0.954368      2.864788
  H      -8.508295      0.428042      4.656077
  N      -1.473837      3.432436      3.655345
  H      -2.046590      3.175568      2.821790
  H      -0.493901      3.416715      3.363714
  H      -1.734516      4.387018      3.940651
99
Coordinates from ORCA-job orca E -6653.002531706023
  N      -2.314272      3.371785      6.529603
  Mo     -2.256244      1.673944      5.503090
  N      -2.830077      0.404787      6.900400
  C      -1.906530      0.082896      8.007777
  C      -0.915347      1.219940      8.228265
  N      -0.369817      1.689984      6.923450
  C       0.102593      3.095995      6.976481
  C      -1.094756      4.076234      6.917461
  C       0.664365      0.773762      6.374031
  C       0.518373      0.748513      4.847849
  N      -0.894900      0.604532      4.544211
  H      -0.858383      4.882893      6.210313
  H      -1.247416      4.555232      7.893871
  H       0.755890      3.243090      6.115508
  H       0.704872      3.257990      7.880786
  H       1.111133     -0.077134      4.421971
  H       0.919980      1.686812      4.421746
  H       0.463915     -0.230787      6.766371
  H       1.672447      1.080304      6.702867
  H      -2.451680     -0.084096      8.954605
  H      -1.376119     -0.867917      7.788280
  H      -1.440919      2.072006      8.677706
  H      -0.099532      0.917955      8.908548
  C      -3.501813      3.762881      7.286057
  C      -4.041460      5.149137      6.951125
  O      -4.840911      5.154597      5.741593
  C      -4.316687      5.647042      4.605056
  O      -3.149055      5.922738      4.434705
  C      -5.397244      5.886582      3.584372
  N      -6.571125      6.280745      4.093455
  C      -7.552462      6.597790      3.222004
  N      -7.493421      6.539521      1.906897
  C      -6.299004      6.097562      1.358443
  C      -6.189481      5.946877     -0.055030
  C      -5.014661      5.492001     -0.624334
  C      -3.903663      5.196484      0.194024
  C      -3.971650      5.342087      1.569824
  C      -5.169851      5.778123      2.184056
  C      -1.376607     -0.577613      3.830419
  C      -1.797373     -0.296282      2.385783
  O      -2.527105      0.917955      2.131548
  C      -3.666306      1.252608      2.817139
  O      -3.623669      1.292862      4.114350
  C      -4.787753      1.778771      2.132502
  N      -5.729157      2.367543      2.961288
  C      -6.815413      2.881409      2.395792
  N      -7.159204      2.869804      1.100165
  C      -6.234233      2.309499      0.234509
  C      -6.517867      2.309606     -1.148476
  C      -5.605401      1.820617     -2.060725
  C      -4.376029      1.316938     -1.612165
  C      -4.078320      1.291650     -0.272652
  C      -4.986783      1.769444      0.688556
  C      -3.990820     -0.488127      6.889513
  C      -5.055081     -0.135875      7.923179
  O      -5.725469      1.095586      7.555671
  C      -6.908306      0.941193      6.896182
  O      -7.415693     -0.169292      6.620247
  C      -7.544966      2.277016      6.578160
  N      -7.201861      3.294963      7.363674
  C      -7.809962      4.480965      7.135699
  N      -8.695191      4.759902      6.212309
  C      -9.030779      3.749547      5.373971
  C      -9.933236      4.023808      4.332342
  C     -10.299648      3.026454      3.470902
  C      -9.775981      1.724428      3.619993
  C      -8.890162      1.422810      4.608379
  C      -8.487782      2.426769      5.517136
  H      -3.276786      3.755873      8.375172
  H      -4.310275      3.035194      7.130911
  H      -3.234440      5.896049      6.859543
  H      -4.748615      5.452590      7.741828
  H      -8.488434      6.932360      3.666819
  H      -7.065590      6.171684     -0.658949
  H      -4.939905      5.340165     -1.715538
  H      -2.984755      4.833191     -0.272820
  H      -3.107588      5.119614      2.191098
  H      -2.221793     -1.023709      4.370208
  H      -0.589559     -1.347579      3.795444
  H      -2.377988     -1.149023      2.005648
  H      -0.910992     -0.177518      1.762092
  H      -7.517847      3.385237      3.089007
  H      -7.473733      2.727528     -1.460344
  H      -5.840094      1.832553     -3.125828
  H      -3.651321      0.940178     -2.323246
  H      -3.120563      0.901697      0.053802
  H      -4.451889     -0.471188      5.891406
  H      -3.670734     -1.532473      7.084019
  H      -5.798011     -0.940427      8.002446
  H      -4.614873      0.058644      8.909848
  H      -7.521404      5.295150      7.805835
  H     -10.309146      5.040782      4.234251
  H     -10.981461      3.244073      2.652170
  H     -10.064976      0.953282      2.918446
  H      -8.483022      0.422323      4.703599
  N      -1.486201      3.449020      3.648257
  H      -2.034542      3.201505      2.841643
  H      -0.510457      3.437057      3.358316
  H      -1.740050      4.392194      3.921715
99
Coordinates from ORCA-job orca E -6653.002791586610
  N      -2.305471      3.371870      6.541056
  Mo     -2.243693      1.676738      5.519009
  N      -2.820824      0.409516      6.908454
  C      -1.904633      0.085533      8.010631
  C      -0.912382      1.222083      8.231790
  N      -0.371350      1.689450      6.929974
  C       0.103808      3.091401      6.982525
  C      -1.090051      4.076389      6.934658
  C       0.658163      0.771396      6.383762
  C       0.514675      0.748882      4.858253
  N      -0.894352      0.607873      4.553146
  H      -0.850316      4.900181      6.227617
  H      -1.242215      4.548627      7.929183
  H       0.753843      3.242977      6.116477
  H       0.711619      3.251951      7.886012
  H       1.104636     -0.077579      4.430125
  H       0.920908      1.687839      4.432862
  H       0.451664     -0.235216      6.774252
  H       1.666709      1.075084      6.715819
  H      -2.451512     -0.082756      8.956019
  H      -1.374802     -0.864300      7.788977
  H      -1.434774      2.074271      8.685429
  H      -0.095435      0.917381      8.908263
  C      -3.497797      3.744204      7.296481
  C      -4.064357      5.122651      6.959044
  O      -4.863288      5.103191      5.756772
  C      -4.321231      5.608352      4.624422
  O      -3.119291      5.906902      4.489129
  C      -5.395090      5.854151      3.579276
  N      -6.576623      6.216668      4.075142
  C      -7.546084      6.520182      3.176827
  N      -7.458991      6.472370      1.838288
  C      -6.262108      6.076079      1.314974
  C      -6.143801      5.967802     -0.090784
  C      -4.959930      5.552755     -0.647234
  C      -3.841792      5.240211      0.168531
  C      -3.924064      5.350841      1.546133
  C      -5.140657      5.764220      2.162076
  C      -1.388313     -0.566812      3.829660
  C      -1.804081     -0.276643      2.375559
  O      -2.533582      0.942460      2.123687
  C      -3.677150      1.269906      2.810877
  O      -3.616705      1.299523      4.123795
  C      -4.790386      1.795457      2.124419
  N      -5.726648      2.367362      2.927166
  C      -6.811843      2.876159      2.353430
  N      -7.158876      2.884777      1.078575
  C      -6.239603      2.334789      0.238090
  C      -6.542016      2.328831     -1.148051
  C      -5.655327      1.810839     -2.084927
  C      -4.425359      1.289525     -1.653850
  C      -4.100854      1.285672     -0.288082
  C      -4.993762      1.785448      0.688569
  C      -3.990755     -0.464055      6.881629
  C      -5.067132     -0.113414      7.904283
  O      -5.739851      1.117006      7.546674
  C      -6.923656      0.989919      6.899287
  O      -7.442491     -0.073702      6.614156
  C      -7.546544      2.316865      6.607775
  N      -7.207298      3.327831      7.388844
  C      -7.830618      4.504340      7.176769
  N      -8.730683      4.767074      6.267596
  C      -9.054574      3.745596      5.428590
  C      -9.968927      3.985239      4.382300
  C     -10.305951      2.978126      3.510153
  C      -9.748416      1.698558      3.648330
  C      -8.851667      1.433527      4.657934
  C      -8.483562      2.447413      5.566817
  H      -3.278582      3.750058      8.385462
  H      -4.295154      2.993125      7.138413
  H      -3.270428      5.879158      6.857398
  H      -4.775756      5.425634      7.749610
  H      -8.506758      6.839318      3.620674
  H      -7.024030      6.200717     -0.692946
  H      -4.882252      5.447667     -1.724373
  H      -2.913055      4.907207     -0.289093
  H      -3.062474      5.125575      2.166484
  H      -2.238068     -1.011934      4.369986
  H      -0.605418     -1.343881      3.789430
  H      -2.385379     -1.133987      1.988257
  H      -0.910444     -0.152542      1.750050
  H      -7.512290      3.357534      3.017170
  H      -7.501311      2.753513     -1.449982
  H      -5.907799      1.807884     -3.160695
  H      -3.719038      0.882512     -2.391280
  H      -3.144949      0.881112      0.022364
  H      -4.438568     -0.429971      5.875655
  H      -3.686060     -1.512831      7.074432
  H      -5.807684     -0.921377      7.966934
  H      -4.643148      0.077105      8.896531
  H      -7.547645      5.322917      7.843885
  H     -10.369481      4.989260      4.286693
  H     -10.992908      3.168577      2.688509
  H     -10.011361      0.914837      2.929652
  H      -8.412531      0.448851      4.748373
  N      -1.469706      3.439515      3.660448
  H      -2.027474      3.181458      2.853334
  H      -0.486671      3.422785      3.363284
  H      -1.724175      4.396291      3.931541
99
Coordinates from ORCA-job orca E -6653.001527176097
  N      -2.308261      3.375736      6.547371
  Mo     -2.251029      1.678026      5.519872
  N      -2.820246      0.403799      6.916976
  C      -1.896893      0.077715      8.022352
  C      -0.900883      1.212902      8.244214
  N      -0.360963      1.685011      6.936203
  C       0.117663      3.090802      6.987811
  C      -1.087756      4.073644      6.939235
  C       0.674235      0.766658      6.383334
  C       0.527128      0.746430      4.856827
  N      -0.882933      0.606707      4.550816
  H      -0.851956      4.886930      6.230472
  H      -1.237789      4.551410      7.923469
  H       0.767384      3.238647      6.105877
  H       0.739340      3.255966      7.894685
  H       1.117390     -0.080261      4.425626
  H       0.931521      1.686628      4.434575
  H       0.473417     -0.240588      6.772406
  H       1.681502      1.071385      6.711422
  H      -2.441969     -0.090222      8.967763
  H      -1.368787     -0.873109      7.800197
  H      -1.423631      2.065718      8.699758
  H      -0.081717      0.906430      8.919158
  C      -3.503702      3.754408      7.292578
  C      -4.058271      5.131700      6.941531
  O      -4.851882      5.123317      5.729820
  C      -4.320148      5.623088      4.600551
  O      -3.127408      5.916344      4.448130
  C      -5.393695      5.867811      3.565794
  N      -6.564912      6.241901      4.051677
  C      -7.539644      6.556834      3.157111
  N      -7.471219      6.511310      1.845395
  C      -6.288662      6.097575      1.333677
  C      -6.176020      5.963555     -0.065773
  C      -4.995495      5.519821     -0.623042
  C      -3.881694      5.217378      0.198464
  C      -3.955264      5.346304      1.563532
  C      -5.159079      5.774521      2.169566
  C      -1.366533     -0.576432      3.818117
  C      -1.783898     -0.279543      2.363319
  O      -2.522534      0.947682      2.126988
  C      -3.666237      1.274533      2.823990
  O      -3.613549      1.307286      4.133394
  C      -4.796613      1.790982      2.125267
  N      -5.734233      2.380277      2.940962
  C      -6.822323      2.876481      2.350452
  N      -7.173463      2.858200      1.048113
  C      -6.252187      2.296471      0.199114
  C      -6.538501      2.298579     -1.180177
  C      -5.630482      1.804462     -2.091220
  C      -4.400709      1.285443     -1.655465
  C      -4.096491      1.260084     -0.303726
  C      -5.003672      1.758923      0.666344
  C      -3.987421     -0.478575      6.899841
  C      -5.060770     -0.128165      7.925210
  O      -5.742854      1.100601      7.570541
  C      -6.909205      0.962991      6.919911
  O      -7.387943     -0.083545      6.631781
  C      -7.542056      2.292082      6.626154
  N      -7.198982      3.290596      7.443556
  C      -7.821065      4.483416      7.235915
  N      -8.723885      4.772545      6.288356
  C      -9.055545      3.762075      5.411671
  C      -9.976086      4.031522      4.346598
  C     -10.333559      3.030907      3.460149
  C      -9.787502      1.730160      3.597047
  C      -8.877321      1.437814      4.616435
  C      -8.489486      2.445243      5.548761
  H      -3.287381      3.758648      8.379559
  H      -4.303517      3.015062      7.135067
  H      -3.264174      5.878689      6.845304
  H      -4.764886      5.437282      7.720161
  H      -8.496471      6.885290      3.588305
  H      -7.058163      6.196878     -0.669752
  H      -4.921747      5.394054     -1.696791
  H      -2.959049      4.872510     -0.252105
  H      -3.091355      5.118119      2.183525
  H      -2.216280     -1.034077      4.360150
  H      -0.573643     -1.350268      3.772075
  H      -2.360826     -1.145042      1.973138
  H      -0.883879     -0.142613      1.730269
  H      -7.525306      3.379113      3.035003
  H      -7.495193      2.723625     -1.485389
  H      -5.862221      1.827326     -3.136681
  H      -3.674872      0.899989     -2.369477
  H      -3.136977      0.866817      0.024600
  H      -4.440664     -0.451045      5.899173
  H      -3.675737     -1.523904      7.094748
  H      -5.797280     -0.939479      7.993817
  H      -4.627164      0.068418      8.914321
  H      -7.535346      5.289656      7.932325
  H     -10.368411      5.046896      4.260233
  H     -11.025946      3.242603      2.640699
  H     -10.069116      0.955441      2.881682
  H      -8.449832      0.441625      4.709146
  N      -1.484040      3.453565      3.672370
  H      -2.056035      3.195846      2.840887
  H      -0.508616      3.438471      3.377547
  H      -1.746555      4.409050      3.958890
99
Coordinates from ORCA-job orca E -6653.002150676899
  N      -2.300623      3.372760      6.542270
  Mo     -2.249160      1.679756      5.512935
  N      -2.826083      0.406959      6.909004
  C      -1.905309      0.077857      8.015019
  C      -0.906592      1.207590      8.236965
  N      -0.362497      1.677174      6.930402
  C       0.119473      3.080690      6.984687
  C      -1.079698      4.068575      6.944519
  C       0.667242      0.756759      6.378343
  C       0.522116      0.738534      4.851354
  N      -0.891501      0.606418      4.546643
  H      -0.844466      4.894208      6.243393
  H      -1.229603      4.535274      7.938514
  H       0.765248      3.224620      6.104876
  H       0.744118      3.239803      7.889563
  H       1.108157     -0.091845      4.423283
  H       0.932070      1.675802      4.427858
  H       0.460700     -0.248926      6.767460
  H       1.676838      1.057029      6.709166
  H      -2.451752     -0.087402      8.961077
  H      -1.381592     -0.875033      7.793815
  H      -1.425116      2.062000      8.691383
  H      -0.090179      0.897630      8.914011
  C      -3.488108      3.759462      7.284692
  C      -4.019206      5.140554      6.942549
  O      -4.814339      5.163585      5.733938
  C      -4.307848      5.652397      4.612268
  O      -3.151237      5.921460      4.437350
  C      -5.387779      5.896737      3.608470
  N      -6.547102      6.281068      4.116340
  C      -7.518495      6.586966      3.242592
  N      -7.467712      6.534103      1.938825
  C      -6.292970      6.106836      1.397934
  C      -6.188414      5.957132     -0.010291
  C      -5.019219      5.502821     -0.588530
  C      -3.912853      5.210737      0.222786
  C      -3.978489      5.357098      1.594745
  C      -5.167604      5.790420      2.214042
  C      -1.381031     -0.568713      3.818859
  C      -1.798172     -0.268394      2.371157
  O      -2.526504      0.952860      2.130840
  C      -3.670287      1.275766      2.818754
  O      -3.620812      1.317598      4.123819
  C      -4.799307      1.791809      2.129668
  N      -5.750504      2.358567      2.935633
  C      -6.841455      2.857248      2.356767
  N      -7.180357      2.856498      1.077165
  C      -6.248744      2.312267      0.231839
  C      -6.541771      2.300840     -1.159316
  C      -5.633688      1.804513     -2.083674
  C      -4.393200      1.312161     -1.632732
  C      -4.082225      1.304374     -0.271222
  C      -4.995439      1.782369      0.691121
  C      -3.991847     -0.478292      6.903390
  C      -5.050984     -0.111833      7.936461
  O      -5.719147      1.119979      7.556634
  C      -6.903763      0.953795      6.912836
  O      -7.404099     -0.148152      6.666701
  C      -7.541537      2.292389      6.568859
  N      -7.188893      3.326953      7.319208
  C      -7.802137      4.524483      7.064993
  N      -8.704038      4.796598      6.141905
  C      -9.048026      3.760124      5.334928
  C      -9.964578      4.018068      4.285292
  C     -10.330466      2.987193      3.437230
  C      -9.796990      1.665667      3.614586
  C      -8.897170      1.382150      4.624342
  C      -8.495368      2.423299      5.510023
  H      -3.270018      3.749237      8.375659
  H      -4.293417      3.037399      7.120280
  H      -3.220388      5.875723      6.857224
  H      -4.716911      5.438200      7.721320
  H      -8.451574      6.920864      3.688296
  H      -7.061714      6.177098     -0.609744
  H      -4.945026      5.348010     -1.681277
  H      -2.988700      4.839917     -0.255442
  H      -3.115277      5.133572      2.209413
  H      -2.230186     -1.015423      4.355408
  H      -0.596131     -1.347193      3.778024
  H      -2.378004     -1.116835      1.979768
  H      -0.908332     -0.142226      1.747894
  H      -7.553692      3.345663      3.031313
  H      -7.506902      2.706383     -1.475389
  H      -5.881748      1.798418     -3.162682
  H      -3.669586      0.926944     -2.356311
  H      -3.118258      0.921018      0.057326
  H      -4.454869     -0.460186      5.905856
  H      -3.679633     -1.523329      7.100726
  H      -5.795955     -0.913807      8.026407
  H      -4.604031      0.094015      8.921200
  H      -7.503628      5.351734      7.698233
  H     -10.346734      5.046411      4.165904
  H     -11.018457      3.190652      2.612256
  H     -10.084069      0.867779      2.928001
  H      -8.480867      0.369758      4.743190
  N      -1.473701      3.462921      3.666667
  H      -2.032906      3.217517      2.842392
  H      -0.504779      3.452575      3.377607
  H      -1.730497      4.411274      3.949791
99
Coordinates from ORCA-job orca E -6653.002481862277
  N      -2.297026      3.375891      6.538157
  Mo     -2.242144      1.676685      5.505916
  N      -2.824705      0.409207      6.901254
  C      -1.904175      0.082928      8.009516
  C      -0.905923      1.215839      8.230545
  N      -0.360902      1.684545      6.923565
  C       0.117980      3.089824      6.976385
  C      -1.073752      4.070102      6.940714
  C       0.670741      0.763448      6.373336
  C       0.528156      0.737027      4.845603
  N      -0.885466      0.599893      4.541199
  H      -0.830712      4.890912      6.254577
  H      -1.225087      4.525674      7.928826
  H       0.756903      3.241465      6.108231
  H       0.730274      3.248697      7.869323
  H       1.116358     -0.092967      4.420012
  H       0.937344      1.672227      4.418287
  H       0.463857     -0.240809      6.764583
  H       1.680038      1.066796      6.704654
  H      -2.451312     -0.081098      8.955469
  H      -1.378135     -0.870576      7.790165
  H      -1.425834      2.070174      8.683592
  H      -0.089375      0.908146      8.907262
  C      -3.495286      3.767034      7.293662
  C      -4.047546      5.156864      6.960049
  O      -4.850461      5.140542      5.751584
  C      -4.320363      5.635040      4.611963
  O      -3.142617      5.924326      4.445776
  C      -5.401423      5.872055      3.582048
  N      -6.584434      6.266011      4.090384
  C      -7.564055      6.576628      3.201956
  N      -7.493794      6.516439      1.872678
  C      -6.297551      6.088808      1.335657
  C      -6.192984      5.964482     -0.067232
  C      -5.016555      5.523698     -0.627086
  C      -3.891924      5.204672      0.184401
  C      -3.957201      5.326862      1.553850
  C      -5.165197      5.763707      2.170210
  C      -1.374180     -0.573866      3.815941
  C      -1.788590     -0.276406      2.372215
  O      -2.516681      0.947079      2.136821
  C      -3.661364      1.271031      2.826106
  O      -3.612679      1.309848      4.118731
  C      -4.785867      1.787687      2.143324
  N      -5.731190      2.370224      2.956618
  C      -6.815709      2.878520      2.385517
  N      -7.154128      2.874458      1.105059
  C      -6.228936      2.315047      0.253750
  C      -6.516387      2.308226     -1.129153
  C      -5.611764      1.799360     -2.050671
  C      -4.384652      1.286363     -1.607139
  C      -4.080140      1.274890     -0.259410
  C      -4.984248      1.770503      0.705885
  C      -3.994943     -0.469633      6.883494
  C      -5.065322     -0.110054      7.911368
  O      -5.738259      1.118596      7.539045
  C      -6.918260      0.966504      6.884086
  O      -7.426077     -0.135395      6.610120
  C      -7.558430      2.292361      6.576854
  N      -7.216076      3.301258      7.366294
  C      -7.831180      4.472835      7.154511
  N      -8.722318      4.741896      6.246460
  C      -9.055720      3.738176      5.398228
  C      -9.962578      3.999904      4.358840
  C     -10.324543      3.010350      3.477896
  C      -9.793535      1.730630      3.606375
  C      -8.903719      1.440899      4.595004
  C      -8.505214      2.435453      5.521795
  H      -3.277733      3.766455      8.384204
  H      -4.303468      3.026853      7.135537
  H      -3.236428      5.918087      6.862325
  H      -4.765222      5.465279      7.759062
  H      -8.505579      6.901049      3.640154
  H      -7.077512      6.202867     -0.668104
  H      -4.950389      5.403435     -1.701712
  H      -2.967221      4.847263     -0.280027
  H      -3.087801      5.092481      2.172793
  H      -2.226175     -1.020926      4.352856
  H      -0.591868     -1.348863      3.775328
  H      -2.372616     -1.129025      1.981376
  H      -0.895798     -0.150371      1.748298
  H      -7.520527      3.373444      3.058827
  H      -7.472449      2.729633     -1.438878
  H      -5.851777      1.801475     -3.120719
  H      -3.666070      0.890161     -2.327594
  H      -3.123638      0.877329      0.063424
  H      -4.448391     -0.445558      5.880979
  H      -3.686256     -1.518301      7.079738
  H      -5.806259     -0.915739      7.990461
  H      -4.632275      0.090321      8.899846
  H      -7.544544      5.283976      7.830817
  H     -10.343978      5.002031      4.273593
  H     -11.009880      3.218324      2.657271
  H     -10.079648      0.964522      2.884165
  H      -8.489968      0.457459      4.673056
  N      -1.450599      3.444606      3.651429
  H      -2.002069      3.190044      2.844992
  H      -0.465995      3.421458      3.361510
  H      -1.699002      4.396163      3.919582
99
Coordinates from ORCA-job orca E -6653.001477876747
  N      -2.294127      3.370073      6.553123
  Mo     -2.237549      1.678189      5.531061
  N      -2.814153      0.411846      6.919508
  C      -1.899825      0.086838      8.019575
  C      -0.902325      1.218546      8.238900
  N      -0.362739      1.681903      6.938169
  C       0.116278      3.081013      6.983177
  C      -1.082797      4.069889      6.953209
  C       0.663059      0.761875      6.391228
  C       0.516210      0.740935      4.868207
  N      -0.891341      0.608041      4.563893
  H      -0.848914      4.907748      6.251645
  H      -1.235669      4.531268      7.957940
  H       0.755534      3.228501      6.094849
  H       0.747983      3.240397      7.884047
  H       1.100883     -0.089346      4.439666
  H       0.926312      1.677729      4.443725
  H       0.457878     -0.244336      6.781933
  H       1.671371      1.062857      6.719890
  H      -2.447452     -0.077667      8.964845
  H      -1.374684     -0.865840      7.799788
  H      -1.420381      2.072984      8.693046
  H      -0.086320      0.910140      8.914777
  C      -3.486644      3.742104      7.295758
  C      -4.049160      5.115359      6.953157
  O      -4.849812      5.107153      5.756787
  C      -4.308068      5.619384      4.627777
  O      -3.096990      5.921770      4.500094
  C      -5.381631      5.863550      3.578989
  N      -6.559229      6.228416      4.068617
  C      -7.537316      6.536646      3.175858
  N      -7.456056      6.485820      1.843817
  C      -6.261625      6.080560      1.324836
  C      -6.141521      5.940513     -0.087162
  C      -4.957750      5.506573     -0.647864
  C      -3.845605      5.215429      0.178810
  C      -3.924844      5.348985      1.558113
  C      -5.136299      5.770878      2.170452
  C      -1.384483     -0.561308      3.833055
  C      -1.798585     -0.258712      2.374848
  O      -2.531872      0.964480      2.130839
  C      -3.680700      1.280961      2.815662
  O      -3.623695      1.320731      4.140265
  C      -4.802705      1.793382      2.122825
  N      -5.734710      2.372158      2.951052
  C      -6.830669      2.876381      2.374156
  N      -7.196159      2.873367      1.065987
  C      -6.279689      2.322041      0.207933
  C      -6.583234      2.341588     -1.172541
  C      -5.685610      1.858291     -2.096146
  C      -4.447406      1.332499     -1.672325
  C      -4.126351      1.292415     -0.319753
  C      -5.021571      1.777803      0.664093
  C      -3.985493     -0.459461      6.899260
  C      -5.061518     -0.103722      7.920078
  O      -5.742695      1.122702      7.560430
  C      -6.921387      0.984483      6.909822
  O      -7.429222     -0.079660      6.629539
  C      -7.546010      2.312467      6.599714
  N      -7.203738      3.332892      7.384460
  C      -7.823948      4.518128      7.147389
  N      -8.725716      4.779282      6.204491
  C      -9.054580      3.742931      5.369029
  C      -9.975224      3.978114      4.315683
  C     -10.317958      2.956226      3.476948
  C      -9.760952      1.663482      3.642827
  C      -8.854884      1.404298      4.651340
  C      -8.483718      2.435148      5.537996
  H      -3.267503      3.745235      8.382445
  H      -4.284090      2.998822      7.133461
  H      -3.262493      5.857381      6.850434
  H      -4.747691      5.419339      7.734095
  H      -8.492370      6.854675      3.609593
  H      -7.019051      6.160592     -0.696598
  H      -4.879776      5.376745     -1.728380
  H      -2.929945      4.881924     -0.271058
  H      -3.065949      5.132669      2.182883
  H      -2.236263     -1.010877      4.371414
  H      -0.599332     -1.340428      3.787329
  H      -2.376699     -1.119612      1.978724
  H      -0.898239     -0.123842      1.747113
  H      -7.526017      3.363298      3.064033
  H      -7.545808      2.773498     -1.464304
  H      -5.926517      1.894219     -3.143805
  H      -3.730265      0.955286     -2.399622
  H      -3.159945      0.893808     -0.008644
  H      -4.436702     -0.430041      5.896195
  H      -3.680282     -1.505201      7.095668
  H      -5.800181     -0.914281      7.988944
  H      -4.632048      0.094997      8.909211
  H      -7.537347      5.346990      7.816285
  H     -10.376799      4.990864      4.203198
  H     -11.010643      3.143891      2.667743
  H     -10.030343      0.867154      2.959855
  H      -8.416594      0.410140      4.771886
  N      -1.467242      3.441869      3.681581
  H      -2.025119      3.182957      2.866800
  H      -0.487017      3.429301      3.383950
  H      -1.730043      4.392386      3.955998
99
Coordinates from ORCA-job orca E -6653.003193990538
  N      -2.299515      3.376756      6.549561
  Mo     -2.251159      1.685049      5.514463
  N      -2.828150      0.410786      6.908859
  C      -1.904278      0.077426      8.012939
  C      -0.902328      1.205934      8.235781
  N      -0.361479      1.678399      6.928065
  C       0.119730      3.083670      6.980707
  C      -1.079220      4.063926      6.956433
  C       0.668263      0.757199      6.370650
  C       0.517526      0.738333      4.844040
  N      -0.895813      0.608023      4.542824
  H      -0.844042      4.889569      6.275024
  H      -1.226963      4.512021      7.946227
  H       0.753621      3.235072      6.096951
  H       0.750104      3.243224      7.874810
  H       1.101038     -0.093045      4.413749
  H       0.927416      1.674407      4.419235
  H       0.463899     -0.248992      6.759264
  H       1.678225      1.056736      6.697262
  H      -2.448799     -0.089005      8.959408
  H      -1.381931     -0.876428      7.788684
  H      -1.418664      2.060119      8.694870
  H      -0.083996      0.892622      8.908793
  C      -3.493617      3.758695      7.287980
  C      -4.028685      5.141865      6.944595
  O      -4.814621      5.147586      5.726204
  C      -4.294426      5.646434      4.601358
  O      -3.119935      5.936886      4.435729
  C      -5.371817      5.877461      3.582633
  N      -6.532756      6.252231      4.081119
  C      -7.512376      6.559060      3.201976
  N      -7.463273      6.516389      1.902504
  C      -6.285952      6.096555      1.371243
  C      -6.182824      5.957193     -0.030264
  C      -5.009844      5.512233     -0.600199
  C      -3.894475      5.215668      0.210529
  C      -3.958348      5.350753      1.576522
  C      -5.152695      5.777894      2.191126
  C      -1.391640     -0.564109      3.809212
  C      -1.810911     -0.256946      2.363099
  O      -2.536179      0.972026      2.137509
  C      -3.679713      1.293119      2.829208
  O      -3.626340      1.334451      4.134738
  C      -4.808423      1.802651      2.134649
  N      -5.757987      2.371612      2.932002
  C      -6.838467      2.869347      2.349261
  N      -7.170287      2.868550      1.074039
  C      -6.243095      2.316481      0.235093
  C      -6.529052      2.297302     -1.152413
  C      -5.626127      1.788388     -2.074922
  C      -4.397006      1.290349     -1.625984
  C      -4.091775      1.289682     -0.265291
  C      -5.001840      1.782883      0.696100
  C      -3.997073     -0.470361      6.896484
  C      -5.060646     -0.111671      7.928433
  O      -5.736707      1.117444      7.562465
  C      -6.903428      0.969776      6.912796
  O      -7.375961     -0.086009      6.638806
  C      -7.545437      2.295970      6.600308
  N      -7.200418      3.317308      7.375403
  C      -7.821051      4.508956      7.143159
  N      -8.725146      4.779938      6.215072
  C      -9.058788      3.749458      5.379041
  C      -9.972523      4.002385      4.309660
  C     -10.325388      2.980216      3.430851
  C      -9.782568      1.673157      3.599651
  C      -8.882577      1.396035      4.631551
  C      -8.494716      2.426941      5.539664
  H      -3.283712      3.748419      8.378251
  H      -4.296998      3.032055      7.119473
  H      -3.229003      5.888808      6.862493
  H      -4.737937      5.440069      7.724169
  H      -8.471322      6.903666      3.656465
  H      -7.065403      6.183422     -0.628101
  H      -4.939854      5.372109     -1.682512
  H      -2.971544      4.857593     -0.257574
  H      -3.091696      5.124370      2.191459
  H      -2.243671     -1.012277      4.347851
  H      -0.608275     -1.344178      3.760894
  H      -2.396998     -1.105066      1.968523
  H      -0.917935     -0.128740      1.735460
  H      -7.550389      3.361773      3.018361
  H      -7.486120      2.705087     -1.468990
  H      -5.870398      1.775326     -3.149196
  H      -3.676397      0.892775     -2.347374
  H      -3.137775      0.902093      0.063698
  H      -4.456481     -0.444469      5.898726
  H      -3.687275     -1.517436      7.089456
  H      -5.800568     -0.917689      8.011546
  H      -4.617945      0.090869      8.912959
  H      -7.529630      5.330339      7.798782
  H     -10.360883      5.020985      4.196696
  H     -11.008130      3.179824      2.588929
  H     -10.060502      0.881477      2.889885
  H      -8.457220      0.396027      4.743325
  N      -1.467196      3.470655      3.677111
  H      -2.036963      3.219633      2.846764
  H      -0.494719      3.454199      3.387697
  H      -1.721747      4.428122      3.963100
99
Coordinates from ORCA-job orca E -6653.003299352450
  N      -2.283870      3.378620      6.540199
  Mo     -2.225777      1.681095      5.505309
  N      -2.819468      0.414502      6.898310
  C      -1.904850      0.084678      8.010835
  C      -0.901784      1.212409      8.234152
  N      -0.351528      1.678916      6.927009
  C       0.134216      3.082298      6.981283
  C      -1.060195      4.072080      6.963181
  C       0.677907      0.753297      6.380743
  C       0.543699      0.728573      4.851387
  N      -0.871516      0.601035      4.541529
  H      -0.814702      4.922416      6.282680
  H      -1.216369      4.513970      7.977815
  H       0.768948      3.230652      6.100896
  H       0.762581      3.236940      7.876888
  H       1.128264     -0.106444      4.429425
  H       0.963004      1.661325      4.424650
  H       0.462629     -0.250426      6.771338
  H       1.688434      1.051523      6.718178
  H      -2.456204     -0.075451      8.955284
  H      -1.383279     -0.870915      7.794505
  H      -1.417837      2.069222      8.687391
  H      -0.088302      0.900005      8.912854
  C      -3.484912      3.762565      7.288537
  C      -4.029765      5.150962      6.956114
  O      -4.832089      5.154679      5.749595
  C      -4.325116      5.639035      4.621043
  O      -3.170071      5.906894      4.437369
  C      -5.409959      5.888562      3.617667
  N      -6.578139      6.291520      4.135437
  C      -7.542023      6.585822      3.247890
  N      -7.475429      6.511082      1.920406
  C      -6.301504      6.087161      1.382844
  C      -6.205228      5.962244     -0.013089
  C      -5.039424      5.515443     -0.582905
  C      -3.919289      5.189179      0.212471
  C      -3.981223      5.317964      1.579346
  C      -5.178523      5.765785      2.205628
  C      -1.367039     -0.567765      3.805126
  C      -1.772663     -0.257211      2.358898
  O      -2.496295      0.970079      2.131429
  C      -3.647729      1.282431      2.819545
  O      -3.597166      1.328615      4.116949
  C      -4.786827      1.784437      2.132322
  N      -5.738212      2.364694      2.944045
  C      -6.832935      2.855921      2.357987
  N      -7.176507      2.835886      1.065597
  C      -6.243513      2.281859      0.221228
  C      -6.527937      2.276703     -1.160060
  C      -5.611583      1.780482     -2.073672
  C      -4.376613      1.273673     -1.628627
  C      -4.073344      1.262951     -0.276551
  C      -4.987420      1.754335      0.685866
  C      -3.994257     -0.458938      6.882071
  C      -5.061204     -0.090380      7.910334
  O      -5.734293      1.138496      7.529818
  C      -6.919967      0.971873      6.886931
  O      -7.426431     -0.136311      6.638095
  C      -7.564622      2.302664      6.563264
  N      -7.215483      3.321055      7.339636
  C      -7.833046      4.504012      7.112536
  N      -8.734080      4.774760      6.196394
  C      -9.075966      3.759463      5.363932
  C      -9.995047      4.021211      4.327802
  C     -10.365995      3.015089      3.463206
  C      -9.831257      1.716874      3.601312
  C      -8.928705      1.428293      4.591911
  C      -8.522435      2.441667      5.506171
  H      -3.274596      3.755051      8.383115
  H      -4.290241      3.025862      7.119774
  H      -3.224557      5.903279      6.864385
  H      -4.739792      5.450663      7.748969
  H      -8.461260      6.900339      3.680424
  H      -7.084767      6.201056     -0.604830
  H      -4.976242      5.389617     -1.658908
  H      -2.991299      4.813011     -0.269231
  H      -3.115188      5.080798      2.191314
  H      -2.224643     -1.010979      4.334258
  H      -0.590840     -1.352107      3.765884
  H      -2.356142     -1.102958      1.959255
  H      -0.879451     -0.130150      1.740090
  H      -7.543260      3.353876      3.033170
  H      -7.489152      2.694293     -1.470860
  H      -5.846482      1.791872     -3.135133
  H      -3.648182      0.887561     -2.343317
  H      -3.109069      0.875675      0.053976
  H      -4.447567     -0.435228      5.878370
  H      -3.692263     -1.508139      7.080618
  H      -5.803352     -0.894725      7.997666
  H      -4.622619      0.117352      8.897629
  H      -7.539465      5.320511      7.773404
  H     -10.377578      5.033930      4.235384
  H     -11.059566      3.222130      2.652271
  H     -10.122399      0.938978      2.893980
  H      -8.513088      0.433325      4.680676
  N      -1.425581      3.452987      3.652640
  H      -1.974965      3.198547      2.836186
  H      -0.448941      3.435565      3.368342
  H      -1.678298      4.405744      3.922439
99
Coordinates from ORCA-job orca E -6653.003723764265
  N      -2.286292      3.373701      6.557955
  Mo     -2.238437      1.680355      5.523685
  N      -2.818910      0.409777      6.914258
  C      -1.899283      0.077884      8.017797
  C      -0.895352      1.205032      8.238487
  N      -0.357095      1.672738      6.931698
  C       0.127704      3.073440      6.976338
  C      -1.067755      4.056634      6.968298
  C       0.669100      0.749076      6.379502
  C       0.521822      0.727832      4.855161
  N      -0.889083      0.602544      4.551442
  H      -0.833217      4.890765      6.297433
  H      -1.214668      4.491467      7.963777
  H       0.747193      3.222302      6.083860
  H       0.769367      3.231304      7.858275
  H       1.102736     -0.105279      4.427166
  H       0.936711      1.661038      4.430241
  H       0.461005     -0.255470      6.769143
  H       1.677729      1.046820      6.708201
  H      -2.445493     -0.086374      8.963374
  H      -1.377979     -0.876935      7.795629
  H      -1.409007      2.059966      8.697411
  H      -0.076723      0.890999      8.909781
  C      -3.481188      3.762903      7.301955
  C      -4.035162      5.141214      6.955588
  O      -4.839200      5.123565      5.754536
  C      -4.299102      5.632930      4.617079
  O      -3.103872      5.940195      4.473687
  C      -5.378579      5.873865      3.571015
  N      -6.556040      6.252145      4.059620
  C      -7.549671      6.584530      3.180044
  N      -7.488489      6.545290      1.866005
  C      -6.286256      6.111923      1.335125
  C      -6.169163      5.960056     -0.084153
  C      -4.984014      5.504198     -0.644275
  C      -3.873802      5.213500      0.195142
  C      -3.948193      5.355537      1.575343
  C      -5.150582      5.784123      2.175183
  C      -1.383879     -0.560356      3.807680
  C      -1.795826     -0.238813      2.360056
  O      -2.525948      0.992103      2.142665
  C      -3.676253      1.297694      2.833567
  O      -3.624506      1.337692      4.141840
  C      -4.804124      1.802096      2.146453
  N      -5.747332      2.373447      2.958973
  C      -6.836233      2.879780      2.387568
  N      -7.181771      2.882995      1.103893
  C      -6.261027      2.328127      0.252518
  C      -6.561368      2.324385     -1.135773
  C      -5.663680      1.821285     -2.062507
  C      -4.429241      1.307702     -1.623263
  C      -4.112608      1.292084     -0.267394
  C      -5.010765      1.784720      0.705019
  C      -3.993314     -0.460137      6.903302
  C      -5.055286     -0.090146      7.932141
  O      -5.734235      1.130311      7.549319
  C      -6.925946      0.965925      6.909670
  O      -7.451606     -0.139269      6.670570
  C      -7.555283      2.291072      6.568752
  N      -7.209258      3.317658      7.338804
  C      -7.823029      4.495743      7.096191
  N      -8.717399      4.752711      6.170079
  C      -9.052692      3.723427      5.343403
  C      -9.963894      3.965775      4.299133
  C     -10.322859      2.950552      3.456266
  C      -9.787279      1.660970      3.617495
  C      -8.892071      1.391881      4.613203
  C      -8.499434      2.414510      5.506885
  H      -3.263693      3.764692      8.387715
  H      -4.285839      3.027834      7.142497
  H      -3.235311      5.879976      6.847078
  H      -4.737131      5.459161      7.737966
  H      -8.508472      6.926610      3.621899
  H      -7.049221      6.187216     -0.697157
  H      -4.905991      5.361011     -1.732647
  H      -2.961336      4.871040     -0.248709
  H      -3.086533      5.131877      2.205229
  H      -2.239214     -1.011031      4.338613
  H      -0.604369     -1.342204      3.755541
  H      -2.377579     -1.089796      1.953805
  H      -0.898344     -0.098476      1.734685
  H      -7.539869      3.362066      3.059868
  H      -7.523674      2.746444     -1.439180
  H      -5.909611      1.828993     -3.131759
  H      -3.714510      0.914956     -2.350333
  H      -3.151131      0.894775      0.049202
  H      -4.451883     -0.434943      5.904982
  H      -3.689966     -1.507254      7.101353
  H      -5.794485     -0.896410      8.026360
  H      -4.613960      0.123595      8.912338
  H      -7.534907      5.324192      7.759825
  H     -10.349145      4.975951      4.189219
  H     -11.010913      3.142943      2.643088
  H     -10.070987      0.872232      2.928088
  H      -8.473497      0.399817      4.723875
  N      -1.446023      3.454384      3.682912
  H      -1.996031      3.196305      2.872336
  H      -0.464002      3.432803      3.391010
  H      -1.703101      4.403600      3.952606
99
Coordinates from ORCA-job orca E -6653.004520643970
  N      -2.291828      3.377101      6.564574
  Mo     -2.246188      1.690673      5.526883
  N      -2.823641      0.415906      6.914182
  C      -1.902739      0.078723      8.010962
  C      -0.897805      1.203826      8.234620
  N      -0.361790      1.675339      6.931175
  C       0.120263      3.076020      6.978311
  C      -1.076595      4.057393      6.983996
  C       0.662011      0.754822      6.372193
  C       0.506018      0.737875      4.847975
  N      -0.905582      0.613604      4.551117
  H      -0.844080      4.907741      6.320468
  H      -1.223719      4.478424      7.991981
  H       0.734731      3.230866      6.078137
  H       0.771754      3.230939      7.861057
  H       1.083580     -0.096183      4.416109
  H       0.919231      1.671881      4.421795
  H       0.457999     -0.252066      6.760549
  H       1.673261      1.052625      6.695577
  H      -2.447179     -0.089272      8.957661
  H      -1.383159     -0.875691      7.782856
  H      -1.409114      2.057384      8.698845
  H      -0.079045      0.885006      8.903367
  C      -3.484551      3.757553      7.298289
  C      -4.020489      5.140357      6.955098
  O      -4.810769      5.146582      5.746848
  C      -4.280653      5.648842      4.619140
  O      -3.083943      5.939977      4.471810
  C      -5.359949      5.883220      3.588720
  N      -6.527189      6.264851      4.094173
  C      -7.507150      6.557534      3.208853
  N      -7.443050      6.489531      1.882083
  C      -6.262518      6.074673      1.350612
  C      -6.161788      5.931119     -0.053984
  C      -4.992842      5.493469     -0.621287
  C      -3.871109      5.191802      0.183049
  C      -3.928790      5.324872      1.549969
  C      -5.130681      5.765689      2.178647
  C      -1.407878     -0.545762      3.814498
  C      -1.823705     -0.227555      2.367382
  O      -2.546965      1.002012      2.148382
  C      -3.693915      1.312335      2.834443
  O      -3.638629      1.358483      4.145434
  C      -4.818356      1.813855      2.144043
  N      -5.758433      2.388172      2.963015
  C      -6.845873      2.888067      2.389062
  N      -7.194338      2.883127      1.096566
  C      -6.275918      2.324931      0.240428
  C      -6.571313      2.317925     -1.144958
  C      -5.672337      1.823225     -2.064150
  C      -4.440085      1.318520     -1.623126
  C      -4.128840      1.299740     -0.272531
  C      -5.028024      1.789808      0.697061
  C      -3.995553     -0.458800      6.896333
  C      -5.064921     -0.101194      7.924378
  O      -5.746726      1.123811      7.557490
  C      -6.910831      0.983635      6.900056
  O      -7.385601     -0.067288      6.610774
  C      -7.547627      2.304247      6.588229
  N      -7.205684      3.332579      7.350108
  C      -7.825558      4.515556      7.103802
  N      -8.726460      4.769220      6.174105
  C      -9.054080      3.727082      5.353138
  C      -9.961870      3.956292      4.272971
  C     -10.298401      2.925740      3.409693
  C      -9.750270      1.632985      3.604603
  C      -8.857692      1.378951      4.645360
  C      -8.486152      2.417922      5.531334
  H      -3.274015      3.747365      8.386817
  H      -4.288225      3.030885      7.126755
  H      -3.223730      5.878937      6.863283
  H      -4.719202      5.445416      7.733845
  H      -8.460122      6.889725      3.658845
  H      -7.045282      6.154485     -0.650787
  H      -4.931353      5.361757     -1.694917
  H      -2.951910      4.831949     -0.287939
  H      -3.059973      5.095990      2.159011
  H      -2.261450     -0.992097      4.351121
  H      -0.628617     -1.328385      3.760502
  H      -2.409143     -1.075189      1.962299
  H      -0.926068     -0.091339      1.742049
  H      -7.545485      3.387814      3.079865
  H      -7.529213      2.733092     -1.452095
  H      -5.916096      1.828962     -3.127435
  H      -3.722318      0.932183     -2.343330
  H      -3.170400      0.911448      0.049239
  H      -4.451968     -0.427141      5.896676
  H      -3.689964     -1.507598      7.086893
  H      -5.801810     -0.911595      8.005881
  H      -4.626876      0.105609      8.909632
  H      -7.534119      5.346783      7.743038
  H     -10.356044      4.967693      4.139509
  H     -10.975503      3.108209      2.556263
  H     -10.016850      0.832398      2.908909
  H      -8.425164      0.386151      4.778057
  N      -1.462795      3.469940      3.695273
  H      -2.035054      3.217075      2.873137
  H      -0.483587      3.449066      3.397875
  H      -1.714657      4.423657      3.977018
99
Coordinates from ORCA-job orca E -6653.004368325223
  N      -2.274420      3.378212      6.550445
  Mo     -2.219305      1.688193      5.505640
  N      -2.815873      0.420201      6.897245
  C      -1.899497      0.083572      8.005502
  C      -0.890416      1.205532      8.231643
  N      -0.341279      1.674582      6.924872
  C       0.145224      3.077375      6.982193
  C      -1.054515      4.065414      6.994927
  C       0.685120      0.748339      6.372633
  C       0.544469      0.724375      4.843376
  N      -0.870036      0.604216      4.536831
  H      -0.807692      4.942871      6.337944
  H      -1.214187      4.477331      8.028433
  H       0.764270      3.231687      6.086780
  H       0.793146      3.226880      7.869810
  H       1.122781     -0.114715      4.419813
  H       0.969053      1.654563      4.414868
  H       0.470808     -0.255903      6.763934
  H       1.697044      1.045250      6.706342
  H      -2.450020     -0.077392      8.950418
  H      -1.382775     -0.873695      7.785684
  H      -1.401053      2.063147      8.690146
  H      -0.076165      0.886935      8.906807
  C      -3.488276      3.747988      7.287127
  C      -4.042146      5.138044      6.962478
  O      -4.829155      5.133527      5.739125
  C      -4.305365      5.641320      4.616175
  O      -3.136422      5.937925      4.445875
  C      -5.378806      5.876458      3.601402
  N      -6.539264      6.265283      4.108049
  C      -7.508308      6.565939      3.222388
  N      -7.450791      6.512261      1.912986
  C      -6.275907      6.088610      1.379828
  C      -6.174737      5.961162     -0.014707
  C      -5.002206      5.508792     -0.587764
  C      -3.887304      5.196893      0.215653
  C      -3.955556      5.331292      1.584701
  C      -5.151036      5.766770      2.201057
  C      -1.376354     -0.557459      3.794559
  C      -1.786363     -0.239040      2.350679
  O      -2.505041      0.991341      2.132082
  C      -3.656369      1.300471      2.821421
  O      -3.596710      1.357742      4.129150
  C      -4.803304      1.792754      2.132288
  N      -5.756830      2.360245      2.931650
  C      -6.851660      2.847692      2.343592
  N      -7.193958      2.844350      1.066287
  C      -6.261588      2.298068      0.233254
  C      -6.549205      2.291263     -1.141423
  C      -5.642946      1.780116     -2.067376
  C      -4.408620      1.266732     -1.633466
  C      -4.097575      1.263631     -0.277830
  C      -5.007479      1.764515      0.690448
  C      -3.997059     -0.443024      6.879917
  C      -5.061991     -0.072154      7.908148
  O      -5.741966      1.156605      7.534131
  C      -6.913749      0.993696      6.886878
  O      -7.393588     -0.086080      6.626306
  C      -7.570827      2.318379      6.567192
  N      -7.237914      3.348238      7.361510
  C      -7.871462      4.533290      7.130402
  N      -8.773027      4.792345      6.184992
  C      -9.098119      3.756580      5.339837
  C     -10.019309      4.000654      4.295544
  C     -10.377927      2.972489      3.454214
  C      -9.827159      1.667847      3.612858
  C      -8.916623      1.399042      4.604813
  C      -8.526567      2.437070      5.500861
  H      -3.294377      3.731297      8.386894
  H      -4.286231      3.002709      7.102411
  H      -3.237337      5.916547      6.890493
  H      -4.777031      5.420468      7.759480
  H      -8.448980      6.895742      3.663851
  H      -7.053927      6.195734     -0.609023
  H      -4.931965      5.373881     -1.668758
  H      -2.963762      4.830671     -0.257304
  H      -3.092754      5.100755      2.200944
  H      -2.235497     -0.995162      4.327012
  H      -0.603806     -1.348395      3.748955
  H      -2.373554     -1.077776      1.950064
  H      -0.894611     -0.114514      1.731232
  H      -7.565963      3.330991      3.004660
  H      -7.511466      2.707846     -1.449030
  H      -5.886001      1.780946     -3.128764
  H      -3.687406      0.864297     -2.360204
  H      -3.136056      0.869788      0.044085
  H      -4.449446     -0.412065      5.875543
  H      -3.702095     -1.494452      7.076209
  H      -5.802321     -0.877035      7.996987
  H      -4.620510      0.137913      8.894532
  H      -7.593581      5.361315      7.810795
  H     -10.415122      5.017527      4.192748
  H     -11.072880      3.164688      2.654763
  H     -10.109991      0.870877      2.929640
  H      -8.487559      0.400527      4.715550
  N      -1.403531      3.465183      3.669279
  H      -1.959419      3.211226      2.846325
  H      -0.427847      3.442496      3.386375
  H      -1.651203      4.423214      3.940300
99
Coordinates from ORCA-job orca E -6653.003537693213
  N      -2.279357      3.383433      6.559267
  Mo     -2.230515      1.690806      5.513925
  N      -2.824756      0.417418      6.899564
  C      -1.909064      0.076322      8.008291
  C      -0.900687      1.196510      8.238572
  N      -0.353038      1.669186      6.935338
  C       0.133910      3.070896      6.988562
  C      -1.057565      4.055282      6.995493
  C       0.673932      0.743715      6.381645
  C       0.534867      0.726468      4.854208
  N      -0.879054      0.608357      4.542054
  H      -0.815320      4.906184      6.348086
  H      -1.208883      4.467358      8.002947
  H       0.744848      3.221360      6.097806
  H       0.778545      3.225435      7.863577
  H       1.114116     -0.109617      4.429094
  H       0.958587      1.657649      4.432144
  H       0.459957     -0.260896      6.767386
  H       1.682777      1.037503      6.716362
  H      -2.459388     -0.087655      8.951123
  H      -1.392226     -0.880499      7.785314
  H      -1.411561      2.052264      8.699601
  H      -0.087525      0.874644      8.911690
  C      -3.475037      3.779475      7.294623
  C      -4.004027      5.159621      6.943841
  O      -4.806719      5.159762      5.743042
  C      -4.298797      5.636478      4.612997
  O      -3.137779      5.900647      4.435481
  C      -5.392315      5.886884      3.600524
  N      -6.559986      6.291039      4.103562
  C      -7.540130      6.606872      3.221632
  N      -7.484530      6.543900      1.906880
  C      -6.303069      6.101410      1.371774
  C      -6.201585      5.955439     -0.035391
  C      -5.030651      5.489268     -0.599904
  C      -3.916916      5.175188      0.218316
  C      -3.981971      5.320486      1.591970
  C      -5.173133      5.770747      2.201195
  C      -1.375128     -0.550007      3.782405
  C      -1.776843     -0.210642      2.337272
  O      -2.503333      1.025713      2.136876
  C      -3.657692      1.319894      2.827153
  O      -3.606052      1.368286      4.130553
  C      -4.800027      1.804379      2.136494
  N      -5.754517      2.376670      2.943689
  C      -6.846402      2.863887      2.354729
  N      -7.184453      2.839495      1.057877
  C      -6.250934      2.284500      0.214951
  C      -6.534181      2.266543     -1.175533
  C      -5.618717      1.767442     -2.084687
  C      -4.386524      1.268874     -1.629338
  C      -4.084973      1.270136     -0.269225
  C      -4.998051      1.765546      0.688772
  C      -4.000230     -0.453000      6.889493
  C      -5.054806     -0.079166      7.924988
  O      -5.734496      1.138204      7.537489
  C      -6.933041      0.960373      6.912358
  O      -7.458089     -0.154987      6.693190
  C      -7.568693      2.284312      6.575522
  N      -7.207286      3.300376      7.326466
  C      -7.816908      4.479959      7.089431
  N      -8.720050      4.748709      6.187190
  C      -9.072295      3.734342      5.374363
  C      -9.988719      3.993687      4.331207
  C     -10.363642      2.989999      3.460912
  C      -9.839753      1.697078      3.604723
  C      -8.942052      1.410493      4.615271
  C      -8.528604      2.421363      5.527326
  H      -3.264308      3.773538      8.382977
  H      -4.285197      3.058248      7.128944
  H      -3.202142      5.881141      6.840448
  H      -4.697342      5.479420      7.717068
  H      -8.471713      6.943697      3.657257
  H      -7.081590      6.193669     -0.637338
  H      -4.962642      5.346538     -1.682997
  H      -3.003394      4.808616     -0.240037
  H      -3.121266      5.086613      2.214702
  H      -2.237939     -1.001637      4.302373
  H      -0.601213     -1.336743      3.731167
  H      -2.360624     -1.054694      1.918284
  H      -0.878285     -0.066311      1.717779
  H      -7.560061      3.356146      3.025101
  H      -7.494270      2.677444     -1.493210
  H      -5.849323      1.770397     -3.148752
  H      -3.659029      0.880149     -2.340281
  H      -3.122988      0.887999      0.066783
  H      -4.460794     -0.429548      5.893026
  H      -3.698599     -1.500446      7.086053
  H      -5.793615     -0.883520      8.034324
  H      -4.603547      0.141002      8.898107
  H      -7.514873      5.297019      7.732953
  H     -10.362617      5.003782      4.229198
  H     -11.052296      3.196060      2.632348
  H     -10.133540      0.918846      2.883575
  H      -8.533266      0.418659      4.706691
  N      -1.414177      3.476708      3.683065
  H      -1.960441      3.222479      2.867123
  H      -0.439725      3.453192      3.401797
  H      -1.666763      4.433613      3.956590
99
Coordinates from ORCA-job orca E -6653.006130323916
  N      -2.290309      3.377522      6.570292
  Mo     -2.248762      1.691740      5.522414
  N      -2.823637      0.412161      6.910589
  C      -1.895660      0.071326      8.004921
  C      -0.886294      1.194366      8.227995
  N      -0.354137      1.669636      6.920088
  C       0.130277      3.070375      6.961068
  C      -1.071852      4.047670      6.994917
  C       0.667599      0.749137      6.354742
  C       0.505962      0.730217      4.830954
  N      -0.907908      0.611682      4.540015
  H      -0.844672      4.905684      6.350966
  H      -1.215315      4.445533      8.004737
  H       0.723709      3.226400      6.040770
  H       0.805108      3.226328      7.830162
  H       1.079045     -0.106424      4.397585
  H       0.922238      1.661234      4.402708
  H       0.466306     -0.256572      6.745496
  H       1.680327      1.048180      6.671966
  H      -2.435330     -0.099125      8.954077
  H      -1.378282     -0.882861      7.771829
  H      -1.393997      2.047269      8.697970
  H      -0.064225      0.871185      8.892508
  C      -3.484322      3.765079      7.312423
  C      -4.027955      5.152036      6.973015
  O      -4.826415      5.152299      5.767479
  C      -4.286006      5.672079      4.631219
  O      -3.093289      5.982661      4.487165
  C      -5.359898      5.911553      3.586004
  N      -6.531699      6.304293      4.081330
  C      -7.511908      6.607213      3.188456
  N      -7.441255      6.531119      1.858962
  C      -6.254857      6.103261      1.335015
  C      -6.145697      5.947049     -0.076315
  C      -4.976561      5.500166     -0.628362
  C      -3.857347      5.194080      0.190063
  C      -3.919943      5.334364      1.558091
  C      -5.126224      5.790232      2.176822
  C      -1.407735     -0.543280      3.798602
  C      -1.822703     -0.214028      2.358068
  O      -2.549454      1.018582      2.156405
  C      -3.699370      1.317601      2.846624
  O      -3.655208      1.371556      4.146812
  C      -4.826480      1.810280      2.158846
  N      -5.776099      2.375495      2.972746
  C      -6.861415      2.878373      2.403936
  N      -7.196585      2.881414      1.119204
  C      -6.272578      2.323463      0.262315
  C      -6.565187      2.309062     -1.132717
  C      -5.660953      1.811959     -2.046791
  C      -4.428654      1.314422     -1.590838
  C      -4.123324      1.299626     -0.239275
  C      -5.026935      1.787816      0.720381
  C      -3.998781     -0.459879      6.906415
  C      -5.055761     -0.090129      7.943394
  O      -5.743720      1.130375      7.561497
  C      -6.916275      0.964986      6.904606
  O      -7.401927     -0.127331      6.636137
  C      -7.558619      2.287310      6.562138
  N      -7.218007      3.325031      7.327294
  C      -7.834083      4.505223      7.071922
  N      -8.724946      4.756767      6.133342
  C      -9.055166      3.713588      5.312654
  C      -9.961481      3.945861      4.250987
  C     -10.317409      2.911753      3.419649
  C      -9.786123      1.613247      3.620364
  C      -8.892766      1.354588      4.626402
  C      -8.501034      2.397857      5.496754
  H      -3.269177      3.755922      8.398303
  H      -4.289931      3.037398      7.148839
  H      -3.228070      5.891087      6.871287
  H      -4.726721      5.464151      7.756062
  H      -8.456341      6.942852      3.624279
  H      -7.025238      6.172440     -0.685268
  H      -4.910915      5.362000     -1.703181
  H      -2.935036      4.821741     -0.273706
  H      -3.050571      5.098463      2.173439
  H      -2.262216     -0.989821      4.331413
  H      -0.630259     -1.326724      3.739533
  H      -2.405632     -1.058720      1.946192
  H      -0.925686     -0.069691      1.733701
  H      -7.568587      3.369639      3.088814
  H      -7.525486      2.718477     -1.449318
  H      -5.903996      1.806368     -3.124172
  H      -3.708781      0.927243     -2.305480
  H      -3.165310      0.912357      0.087797
  H      -4.464345     -0.433477      5.910291
  H      -3.694362     -1.509741      7.101155
  H      -5.790595     -0.901132      8.044951
  H      -4.605409      0.130025      8.922589
  H      -7.546093      5.340426      7.722605
  H     -10.345733      4.961105      4.118870
  H     -11.000990      3.095788      2.590971
  H     -10.071365      0.810012      2.958037
  H      -8.476346      0.356320      4.766365
  N      -1.451272      3.475037      3.698871
  H      -2.016139      3.226828      2.882102
  H      -0.467573      3.445713      3.400546
  H      -1.697974      4.420054      3.975729
99
Coordinates from ORCA-job orca E -6653.003669270403
  N      -2.263719      3.378272      6.561164
  Mo     -2.207346      1.691538      5.517367
  N      -2.812197      0.426925      6.900264
  C      -1.904933      0.085988      8.005039
  C      -0.894441      1.205039      8.236104
  N      -0.343784      1.672876      6.937482
  C       0.139877      3.073515      6.993328
  C      -1.051434      4.058980      7.020777
  C       0.681177      0.748114      6.388577
  C       0.541962      0.725937      4.860742
  N      -0.869515      0.607541      4.550852
  H      -0.800777      4.952792      6.383954
  H      -1.214832      4.447209      8.064549
  H       0.747453      3.234274      6.096843
  H       0.792364      3.219550      7.872211
  H       1.118177     -0.114058      4.438036
  H       0.969061      1.655080      4.433052
  H       0.467565     -0.257591      6.777602
  H       1.691944      1.044798      6.723553
  H      -2.460372     -0.075537      8.947261
  H      -1.390434     -0.872698      7.783502
  H      -1.402555      2.062161      8.696450
  H      -0.083902      0.881494      8.911388
  C      -3.475774      3.744838      7.284881
  C      -4.026305      5.126133      6.950984
  O      -4.808042      5.114108      5.731606
  C      -4.278161      5.614985      4.612771
  O      -3.088475      5.914196      4.459851
  C      -5.356392      5.844255      3.595071
  N      -6.516909      6.236202      4.110206
  C      -7.502373      6.549026      3.244277
  N      -7.453623      6.503776      1.935139
  C      -6.272968      6.071191      1.388567
  C      -6.174992      5.937339     -0.013818
  C      -5.002195      5.476530     -0.598899
  C      -3.893116      5.174613      0.210808
  C      -3.953681      5.308069      1.582285
  C      -5.139611      5.739015      2.199121
  C      -1.381001     -0.542710      3.801348
  C      -1.781655     -0.210114      2.352239
  O      -2.497124      1.022527      2.139729
  C      -3.656185      1.318698      2.819169
  O      -3.589449      1.376666      4.135112
  C      -4.801365      1.798630      2.129787
  N      -5.748835      2.363240      2.941935
  C      -6.853587      2.847713      2.359688
  N      -7.213515      2.844485      1.073481
  C      -6.285905      2.302197      0.231996
  C      -6.584868      2.306992     -1.135619
  C      -5.684919      1.805441     -2.068579
  C      -4.444129      1.285483     -1.651700
  C      -4.122717      1.269300     -0.303527
  C      -5.022617      1.768446      0.680048
  C      -3.997599     -0.426941      6.870679
  C      -5.070979     -0.055564      7.889978
  O      -5.749742      1.170905      7.519426
  C      -6.914912      1.025359      6.866137
  O      -7.388491     -0.030014      6.583423
  C      -7.567770      2.341717      6.564682
  N      -7.231728      3.371603      7.337946
  C      -7.867184      4.547016      7.102370
  N      -8.776329      4.790432      6.172590
  C      -9.100819      3.746925      5.345563
  C     -10.023886      3.966890      4.285783
  C     -10.366765      2.935850      3.435380
  C      -9.805727      1.652058      3.611129
  C      -8.895692      1.407183      4.626473
  C      -8.519937      2.446627      5.513555
  H      -3.285123      3.732282      8.383317
  H      -4.273457      2.999958      7.093461
  H      -3.225551      5.895732      6.877444
  H      -4.756645      5.414227      7.738528
  H      -8.456816      6.896738      3.709008
  H      -7.054962      6.170905     -0.604877
  H      -4.933385      5.335719     -1.685534
  H      -2.986282      4.818299     -0.256114
  H      -3.093757      5.078555      2.198591
  H      -2.245186     -0.981743      4.328035
  H      -0.611973     -1.335073      3.753163
  H      -2.370136     -1.049523      1.936608
  H      -0.881269     -0.077211      1.736399
  H      -7.558431      3.332676      3.034558
  H      -7.550721      2.727884     -1.430141
  H      -5.934316      1.817490     -3.121914
  H      -3.727751      0.887573     -2.387339
  H      -3.155751      0.872977      0.005042
  H      -4.443355     -0.387797      5.863910
  H      -3.709428     -1.479298      7.064321
  H      -5.811840     -0.859842      7.972787
  H      -4.637623      0.154191      8.877268
  H      -7.582674      5.380041      7.753784
  H     -10.427383      4.971983      4.164206
  H     -11.058578      3.111364      2.606785
  H     -10.076383      0.850650      2.917587
  H      -8.454113      0.421920      4.746395
  N      -1.389931      3.462911      3.684876
  H      -1.949388      3.205232      2.864138
  H      -0.409209      3.439239      3.398093
  H      -1.637989      4.422299      3.954071
99
Coordinates from ORCA-job orca E -6653.007741348099
  N      -2.270364      3.384799      6.570533
  Mo     -2.227188      1.701355      5.515468
  N      -2.821868      0.422825      6.897146
  C      -1.904228      0.074648      8.000727
  C      -0.891629      1.189962      8.233838
  N      -0.346820      1.665467      6.930366
  C       0.142366      3.065891      6.988619
  C      -1.051917      4.049906      7.023243
  C       0.675757      0.738259      6.371231
  C       0.529258      0.722768      4.844644
  N      -0.884696      0.614803      4.538340
  H      -0.808808      4.924431      6.395013
  H      -1.204232      4.436765      8.047779
  H       0.739978      3.221664      6.087696
  H       0.802660      3.213281      7.857227
  H       1.100630     -0.118101      4.417919
  H       0.958485      1.651017      4.420312
  H       0.461099     -0.267052      6.756931
  H       1.686067      1.028949      6.703039
  H      -2.453082     -0.091901      8.944037
  H      -1.391642     -0.883052      7.773159
  H      -1.397877      2.045551      8.700375
  H      -0.076826      0.862554      8.902607
  C      -3.477597      3.768789      7.293773
  C      -4.012264      5.153807      6.953775
  O      -4.802491      5.156506      5.739215
  C      -4.286384      5.655136      4.616443
  O      -3.115901      5.935695      4.447978
  C      -5.371097      5.895390      3.598277
  N      -6.532439      6.284239      4.096878
  C      -7.504726      6.579834      3.204924
  N      -7.444716      6.514546      1.889048
  C      -6.268542      6.090637      1.361828
  C      -6.166862      5.955259     -0.035993
  C      -4.990877      5.497636     -0.602604
  C      -3.873353      5.184640      0.207080
  C      -3.944291      5.328996      1.580810
  C      -5.142769      5.774107      2.193651
  C      -1.395563     -0.535319      3.774484
  C      -1.804476     -0.191110      2.332649
  O      -2.517574      1.048360      2.136959
  C      -3.670364      1.342544      2.826729
  O      -3.612750      1.401588      4.139664
  C      -4.817537      1.816454      2.132226
  N      -5.772558      2.385285      2.930619
  C      -6.860631      2.865167      2.335928
  N      -7.197399      2.842846      1.045250
  C      -6.266497      2.287701      0.211917
  C      -6.550153      2.262364     -1.173059
  C      -5.640843      1.753511     -2.086214
  C      -4.411069      1.253953     -1.636081
  C      -4.106338      1.265328     -0.274228
  C      -5.017435      1.769395      0.685125
  C      -4.001880     -0.441447      6.883959
  C      -5.055157     -0.071609      7.922540
  O      -5.742062      1.146690      7.547663
  C      -6.931137      0.975992      6.921245
  O      -7.432492     -0.109663      6.690476
  C      -7.576150      2.295055      6.590989
  N      -7.229713      3.324446      7.355503
  C      -7.852842      4.507757      7.112609
  N      -8.756182      4.765569      6.182982
  C      -9.092371      3.729971      5.361566
  C     -10.008849      3.972889      4.309701
  C     -10.368891      2.947985      3.457439
  C      -9.828319      1.647489      3.620577
  C      -8.926011      1.379478      4.636239
  C      -8.531402      2.413847      5.533954
  H      -3.284206      3.752206      8.389586
  H      -4.281537      3.039754      7.109762
  H      -3.208996      5.900064      6.868676
  H      -4.725501      5.455744      7.735143
  H      -8.444617      6.908931      3.640150
  H      -7.049165      6.191722     -0.633377
  H      -4.922635      5.364002     -1.678945
  H      -2.955893      4.823152     -0.253180
  H      -3.084561      5.100943      2.203136
  H      -2.259398     -0.977080      4.298171
  H      -0.628430     -1.330901      3.717922
  H      -2.396650     -1.021270      1.917003
  H      -0.912882     -0.058039      1.713045
  H      -7.576112      3.351206      2.996254
  H      -7.508251      2.671702     -1.488562
  H      -5.874471      1.748851     -3.145103
  H      -3.686339      0.855990     -2.349832
  H      -3.147136      0.884279      0.060057
  H      -4.461434     -0.410000      5.886444
  H      -3.704495     -1.491621      7.075411
  H      -5.791441     -0.877953      8.031794
  H      -4.600347      0.147192      8.894815
  H      -7.564798      5.336997      7.770285
  H     -10.396615      4.987613      4.197137
  H     -11.056703      3.140561      2.638924
  H     -10.111120      0.850657      2.916943
  H      -8.503502      0.383366      4.747978
  N      -1.403596      3.496691      3.697746
  H      -1.956742      3.244836      2.874169
  H      -0.433254      3.470853      3.416997
  H      -1.653452      4.460900      3.976333
99
Coordinates from ORCA-job orca E -6653.005161388966
  N      -2.274019      3.376359      6.565007
  Mo     -2.220363      1.683668      5.518971
  N      -2.817079      0.413027      6.905984
  C      -1.900104      0.070651      8.010463
  C      -0.886748      1.190959      8.237727
  N      -0.344507      1.662583      6.930625
  C       0.144338      3.064017      6.969614
  C      -1.053209      4.044515      7.015681
  C       0.682020      0.739410      6.376378
  C       0.539644      0.717557      4.848569
  N      -0.875540      0.600022      4.544249
  H      -0.813307      4.929464      6.387570
  H      -1.206532      4.422536      8.048476
  H       0.731849      3.220707      6.044095
  H       0.827119      3.218727      7.835449
  H       1.115731     -0.121689      4.422588
  H       0.964889      1.646453      4.421072
  H       0.472781     -0.265230      6.766910
  H       1.694520      1.038967      6.705507
  H      -2.449245     -0.094051      8.956117
  H      -1.384754     -0.886413      7.783258
  H      -1.392727      2.046308      8.705147
  H      -0.070055      0.864334      8.906891
  C      -3.476722      3.765943      7.300382
  C      -4.020586      5.146938      6.949602
  O      -4.825538      5.138426      5.751827
  C      -4.299498      5.645393      4.615198
  O      -3.125581      5.951090      4.450829
  C      -5.380243      5.887893      3.590550
  N      -6.545389      6.306496      4.100644
  C      -7.532587      6.631815      3.229270
  N      -7.479330      6.561272      1.912736
  C      -6.299026      6.104774      1.371767
  C      -6.199062      5.938243     -0.042221
  C      -5.047310      5.481182     -0.599078
  C      -3.933597      5.166067      0.213984
  C      -3.981567      5.303571      1.574501
  C      -5.168073      5.769578      2.194723
  C      -1.372713     -0.549098      3.784622
  C      -1.761176     -0.199166      2.340030
  O      -2.495733      1.038531      2.156748
  C      -3.662034      1.314136      2.843103
  O      -3.615200      1.366634      4.136911
  C      -4.805096      1.791812      2.156615
  N      -5.764538      2.352060      2.970750
  C      -6.861387      2.849814      2.400689
  N      -7.197586      2.852303      1.118389
  C      -6.263984      2.299026      0.262267
  C      -6.554809      2.291565     -1.128319
  C      -5.638328      1.804184     -2.040822
  C      -4.395489      1.309813     -1.586279
  C      -4.091721      1.289720     -0.238063
  C      -5.005934      1.770022      0.719674
  C      -4.001441     -0.447157      6.893852
  C      -5.063158     -0.063283      7.922226
  O      -5.744222      1.157879      7.527289
  C      -6.918429      0.984471      6.872619
  O      -7.405117     -0.122610      6.609663
  C      -7.569902      2.307466      6.537936
  N      -7.219737      3.335887      7.295254
  C      -7.838948      4.511488      7.054015
  N      -8.742101      4.765400      6.140250
  C      -9.083824      3.736827      5.323918
  C     -10.001015      3.977292      4.275499
  C     -10.367443      2.958385      3.425620
  C      -9.836040      1.668199      3.599757
  C      -8.933757      1.400107      4.595305
  C      -8.528365      2.427176      5.483282
  H      -3.267188      3.766522      8.387139
  H      -4.283301      3.034857      7.134032
  H      -3.222012      5.875149      6.838357
  H      -4.713933      5.468900      7.725546
  H      -8.466585      6.984763      3.674574
  H      -7.073249      6.165640     -0.647593
  H      -4.983314      5.324482     -1.686800
  H      -3.012423      4.766598     -0.265661
  H      -3.110956      5.051264      2.180445
  H      -2.237667     -1.001738      4.300519
  H      -0.599702     -1.335003      3.730157
  H      -2.335395     -1.051048      1.903853
  H      -0.849367     -0.034677      1.725334
  H      -7.571936      3.347623      3.091071
  H      -7.522941      2.698766     -1.444498
  H      -5.881948      1.803441     -3.118992
  H      -3.667504      0.928926     -2.301005
  H      -3.125005      0.905033      0.089455
  H      -4.459532     -0.416209      5.892746
  H      -3.710534     -1.499602      7.090943
  H      -5.801615     -0.869741      8.026131
  H      -4.617572      0.163564      8.904387
  H      -7.542581      5.338605      7.695697
  H     -10.383475      4.985892      4.158755
  H     -11.058089      3.149054      2.597899
  H     -10.129641      0.879648      2.921962
  H      -8.518725      0.408574      4.711309
  N      -1.400921      3.457722      3.687926
  H      -1.953963      3.200485      2.875158
  H      -0.410098      3.426266      3.395715
  H      -1.648307      4.399673      3.951203
99
Coordinates from ORCA-job orca E -6653.008841453924
  N      -2.264718      3.382651      6.581572
  Mo     -2.227302      1.700751      5.523902
  N      -2.820389      0.423490      6.906823
  C      -1.898698      0.069900      8.001728
  C      -0.880461      1.182813      8.232670
  N      -0.342911      1.659524      6.927873
  C       0.147026      3.058641      6.974198
  C      -1.046231      4.037522      7.039946
  C       0.675292      0.734498      6.361931
  C       0.519174      0.717676      4.836148
  N      -0.896177      0.611636      4.539859
  H      -0.808780      4.923474      6.432866
  H      -1.192407      4.395702      8.069364
  H       0.721358      3.219638      6.049866
  H       0.834765      3.206603      7.828572
  H       1.085829     -0.124943      4.405413
  H       0.947776      1.644218      4.408170
  H       0.466235     -0.270951      6.750345
  H       1.689432      1.027810      6.684264
  H      -2.443051     -0.100252      8.948260
  H      -1.388752     -0.887596      7.765442
  H      -1.380470      2.037408      8.707717
  H      -0.062107      0.848518      8.895343
  C      -3.469812      3.770347      7.308182
  C      -4.005465      5.161202      6.972253
  O      -4.797983      5.160198      5.760931
  C      -4.269693      5.661349      4.630274
  O      -3.087743      5.953350      4.473057
  C      -5.353298      5.899825      3.603103
  N      -6.518969      6.304646      4.110559
  C      -7.503070      6.605799      3.226930
  N      -7.447658      6.529634      1.904275
  C      -6.268425      6.093464      1.369874
  C      -6.173124      5.936894     -0.037488
  C      -5.000685      5.465537     -0.610477
  C      -3.882649      5.163808      0.204532
  C      -3.939328      5.316197      1.577940
  C      -5.132937      5.770936      2.196214
  C      -1.410306     -0.527949      3.780992
  C      -1.816680     -0.174776      2.343731
  O      -2.533688      1.063792      2.159682
  C      -3.688055      1.349548      2.847986
  O      -3.632087      1.408654      4.150736
  C      -4.827385      1.826524      2.164898
  N      -5.778471      2.388606      2.976901
  C      -6.873170      2.874900      2.397464
  N      -7.216713      2.866801      1.107445
  C      -6.290035      2.315102      0.261059
  C      -6.582692      2.300911     -1.124432
  C      -5.680464      1.797565     -2.042741
  C      -4.449937      1.291250     -1.599597
  C      -4.139286      1.287059     -0.246482
  C      -5.038340      1.788235      0.721059
  C      -4.005177     -0.434377      6.897334
  C      -5.060016     -0.056422      7.933805
  O      -5.744967      1.162246      7.545311
  C      -6.917462      0.990502      6.892092
  O      -7.399467     -0.102979      6.634036
  C      -7.565228      2.307277      6.542046
  N      -7.225642      3.353130      7.288147
  C      -7.847164      4.527008      7.017947
  N      -8.741753      4.762750      6.082234
  C      -9.071271      3.710872      5.281663
  C      -9.978136      3.926639      4.217086
  C     -10.328836      2.884021      3.389253
  C      -9.791960      1.593036      3.598892
  C      -8.899313      1.350128      4.615190
  C      -8.511592      2.402269      5.479708
  H      -3.272528      3.752895      8.400881
  H      -4.276622      3.043311      7.125070
  H      -3.199220      5.907106      6.880820
  H      -4.715458      5.469458      7.757481
  H      -8.442322      6.948207      3.671026
  H      -7.057849      6.169297     -0.635633
  H      -4.942386      5.323139     -1.685898
  H      -2.976891      4.801776     -0.253614
  H      -3.074415      5.088710      2.197237
  H      -2.273197     -0.968545      4.304567
  H      -0.644589     -1.322530      3.717708
  H      -2.405226     -1.005723      1.918111
  H      -0.919680     -0.029924      1.726669
  H      -7.582514      3.358990      3.073055
  H      -7.542386      2.713293     -1.435160
  H      -5.923580      1.794560     -3.111238
  H      -3.733635      0.893813     -2.321250
  H      -3.180566      0.897900      0.076146
  H      -4.467755     -0.399006      5.899969
  H      -3.713273     -1.487794      7.087628
  H      -5.796983     -0.863446      8.042766
  H      -4.609011      0.169217      8.910579
  H      -7.560124      5.369683      7.650129
  H     -10.366175      4.936195      4.074400
  H     -11.009952      3.055372      2.552151
  H     -10.072435      0.782741      2.932662
  H      -8.478506      0.357674      4.760968
  N      -1.401445      3.483902      3.710754
  H      -1.963483      3.233022      2.892863
  H      -0.420731      3.450060      3.419251
  H      -1.643477      4.436286      3.983652
99
Coordinates from ORCA-job orca E -6653.005567522940
  N      -2.265117      3.380876      6.567326
  Mo     -2.213098      1.696362      5.519354
  N      -2.817150      0.422025      6.895040
  C      -1.906138      0.072792      8.000799
  C      -0.893160      1.186024      8.236635
  N      -0.346834      1.660122      6.936865
  C       0.138689      3.059357      6.995160
  C      -1.054222      4.041645      7.044701
  C       0.677852      0.732825      6.385496
  C       0.538830      0.715491      4.860878
  N      -0.871613      0.612023      4.547946
  H      -0.804524      4.938535      6.437786
  H      -1.216576      4.405319      8.083783
  H       0.727333      3.218619      6.093831
  H       0.803039      3.203674      7.856503
  H       1.109168     -0.127944      4.440438
  H       0.973235      1.640240      4.435661
  H       0.460512     -0.271773      6.770739
  H       1.684782      1.022345      6.722852
  H      -2.459803     -0.090479      8.941458
  H      -1.395286     -0.886948      7.777423
  H      -1.398231      2.041741      8.702718
  H      -0.080558      0.857280      8.905673
  C      -3.478377      3.755703      7.275247
  C      -4.012678      5.134985      6.929724
  O      -4.798801      5.140159      5.712472
  C      -4.280264      5.651553      4.593118
  O      -3.099954      5.939657      4.430305
  C      -5.364887      5.890426      3.572251
  N      -6.520948      6.275523      4.066667
  C      -7.496820      6.577290      3.179300
  N      -7.437320      6.517641      1.866203
  C      -6.259925      6.089804      1.338178
  C      -6.158081      5.958947     -0.055402
  C      -4.993214      5.518587     -0.609630
  C      -3.875164      5.197113      0.195158
  C      -3.946153      5.335375      1.565111
  C      -5.140237      5.777508      2.174661
  C      -1.383912     -0.529095      3.767808
  C      -1.779873     -0.171935      2.321413
  O      -2.493769      1.069533      2.133046
  C      -3.657972      1.343103      2.817883
  O      -3.597031      1.403004      4.145513
  C      -4.817425      1.795622      2.115621
  N      -5.779211      2.353636      2.915216
  C      -6.868917      2.835796      2.326203
  N      -7.204026      2.827280      1.041395
  C      -6.271185      2.275157      0.201604
  C      -6.557608      2.258399     -1.181063
  C      -5.644849      1.759252     -2.100117
  C      -4.404710      1.265871     -1.652578
  C      -4.098101      1.267144     -0.291897
  C      -5.016951      1.755734      0.667787
  C      -4.003780     -0.429856      6.878990
  C      -5.052836     -0.052631      7.915623
  O      -5.747281      1.157566      7.539888
  C      -6.945815      0.985638      6.930498
  O      -7.454265     -0.085353      6.712791
  C      -7.589534      2.299570      6.612764
  N      -7.240453      3.323659      7.385908
  C      -7.868920      4.507606      7.157576
  N      -8.782275      4.765549      6.229633
  C      -9.118720      3.730031      5.394990
  C     -10.044010      3.971428      4.345934
  C     -10.400516      2.950786      3.495164
  C      -9.847001      1.654617      3.643170
  C      -8.935154      1.389268      4.655898
  C      -8.547949      2.419107      5.560732
  H      -3.296169      3.739088      8.373073
  H      -4.276169      3.024574      7.081497
  H      -3.212833      5.880349      6.848489
  H      -4.726335      5.433274      7.707145
  H      -8.446886      6.918084      3.622283
  H      -7.035362      6.189108     -0.656525
  H      -4.918308      5.374403     -1.694264
  H      -2.941335      4.804532     -0.284545
  H      -3.083927      5.092208      2.177400
  H      -2.254817     -0.971820      4.281933
  H      -0.621273     -1.328766      3.711217
  H      -2.369006     -1.002658      1.892806
  H      -0.881405     -0.030534      1.707717
  H      -7.587137      3.318646      2.990876
  H      -7.522178      2.666924     -1.489810
  H      -5.878376      1.765070     -3.151943
  H      -3.672932      0.882621     -2.363533
  H      -3.130170      0.893221      0.041187
  H      -4.461030     -0.393148      5.881691
  H      -3.715831     -1.480451      7.071313
  H      -5.785526     -0.859497      8.037053
  H      -4.592292      0.176381      8.879210
  H      -7.580623      5.335944      7.829529
  H     -10.440097      4.983744      4.240890
  H     -11.093711      3.142746      2.687570
  H     -10.124513      0.859586      2.928379
  H      -8.502209      0.397112      4.757385
  N      -1.378191      3.497938      3.708385
  H      -1.924560      3.242499      2.879433
  H      -0.413922      3.478607      3.436602
  H      -1.635245      4.468187      3.987362
99
Coordinates from ORCA-job orca E -6653.009455036678
  N      -2.261350      3.384011      6.571866
  Mo     -2.214277      1.699183      5.518304
  N      -2.817760      0.424070      6.896747
  C      -1.903268      0.071726      7.999004
  C      -0.885199      1.183467      8.232712
  N      -0.341423      1.657972      6.929610
  C       0.149210      3.057182      6.980353
  C      -1.044739      4.040984      7.045672
  C       0.679129      0.730409      6.371458
  C       0.534428      0.712409      4.845032
  N      -0.879889      0.609730      4.540995
  H      -0.799839      4.943138      6.441097
  H      -1.200485      4.396061      8.089558
  H       0.728471      3.217351      6.060088
  H       0.833543      3.202495      7.839269
  H       1.101583     -0.132935      4.420791
  H       0.969028      1.636920      4.417043
  H       0.463368     -0.274542      6.758644
  H       1.691264      1.021093      6.702754
  H      -2.453586     -0.093430      8.942635
  H      -1.394237     -0.887630      7.769867
  H      -1.386029      2.039495      8.703997
  H      -0.070697      0.849592      8.899148
  C      -3.473221      3.765399      7.289368
  C      -4.011187      5.149012      6.945201
  O      -4.804493      5.147808      5.735211
  C      -4.284039      5.655368      4.609541
  O      -3.108992      5.950212      4.445084
  C      -5.367110      5.894602      3.589681
  N      -6.525827      6.296131      4.094252
  C      -7.504803      6.602858      3.213075
  N      -7.451454      6.537905      1.899937
  C      -6.274912      6.097493      1.363274
  C      -6.173376      5.947681     -0.042986
  C      -5.005237      5.485002     -0.611279
  C      -3.891222      5.171290      0.198202
  C      -3.951473      5.311124      1.565756
  C      -5.145710      5.769456      2.186314
  C      -1.393689     -0.529162      3.769640
  C      -1.790393     -0.170782      2.328228
  O      -2.504191      1.071093      2.147225
  C      -3.666481      1.347518      2.832576
  O      -3.612862      1.410017      4.141357
  C      -4.814486      1.809178      2.139169
  N      -5.776488      2.369562      2.939713
  C      -6.867569      2.849965      2.350386
  N      -7.201025      2.835071      1.061693
  C      -6.265002      2.284139      0.225552
  C      -6.547982      2.262958     -1.160314
  C      -5.633046      1.763860     -2.070678
  C      -4.397554      1.270762     -1.616345
  C      -4.096093      1.273464     -0.259542
  C      -5.011853      1.767481      0.696394
  C      -4.005431     -0.429763      6.880713
  C      -5.059893     -0.053386      7.918081
  O      -5.750994      1.162925      7.538301
  C      -6.934068      0.990909      6.904456
  O      -7.423115     -0.094895      6.658161
  C      -7.588643      2.307083      6.581653
  N      -7.246235      3.337863      7.345260
  C      -7.875823      4.514890      7.106266
  N      -8.783403      4.764228      6.183986
  C      -9.115739      3.727253      5.362823
  C     -10.035334      3.960769      4.311942
  C     -10.386898      2.935021      3.458364
  C      -9.837001      1.643249      3.624366
  C      -8.932587      1.383897      4.634013
  C      -8.545459      2.418791      5.528588
  H      -3.284273      3.752582      8.384597
  H      -4.275449      3.033706      7.101559
  H      -3.209806      5.891351      6.853565
  H      -4.719865      5.455689      7.724798
  H      -8.439959      6.940751      3.653252
  H      -7.053231      6.184258     -0.640282
  H      -4.940432      5.345355     -1.689814
  H      -2.981323      4.803840     -0.264171
  H      -3.090129      5.074679      2.182123
  H      -2.262700     -0.970414      4.285984
  H      -0.631016     -1.327906      3.710526
  H      -2.379194     -1.001016      1.897594
  H      -0.890797     -0.026012      1.713985
  H      -7.584623      3.338633      3.019633
  H      -7.510999      2.666629     -1.479156
  H      -5.869244      1.756786     -3.138288
  H      -3.669177      0.878850     -2.329730
  H      -3.133504      0.894841      0.073718
  H      -4.464031     -0.389857      5.881419
  H      -3.717937     -1.484067      7.069027
  H      -5.793958     -0.862128      8.030956
  H      -4.605066      0.173046      8.891256
  H      -7.588076      5.346073      7.757330
  H     -10.430890      4.969868      4.198987
  H     -11.076835      3.120424      2.635920
  H     -10.115442      0.846983      2.929122
  H      -8.502849      0.393447      4.746959
  N      -1.378464      3.487942      3.703039
  H      -1.929165      3.231567      2.882683
  H      -0.397831      3.458708      3.421363
  H      -1.626701      4.445211      3.972373
99
Coordinates from ORCA-job orca E -6653.004708659270
  N      -2.240485      3.382639      6.592740
  Mo     -2.214831      1.701032      5.533900
  N      -2.816578      0.427484      6.917390
  C      -1.896628      0.065134      8.010055
  C      -0.870946      1.172209      8.241578
  N      -0.334884      1.647934      6.934280
  C       0.161127      3.046289      6.973716
  C      -1.021595      4.014962      7.068620
  C       0.680591      0.718544      6.367605
  C       0.523754      0.700404      4.840759
  N      -0.893296      0.603692      4.543789
  H      -0.782840      4.901789      6.500694
  H      -1.161318      4.334813      8.091121
  H       0.708179      3.210073      6.039270
  H       0.866619      3.194959      7.804174
  H       1.083950     -0.147598      4.411708
  H       0.960881      1.622030      4.410531
  H       0.468656     -0.285966      6.756486
  H       1.695970      1.008891      6.689997
  H      -2.441760     -0.104593      8.956866
  H      -1.392674     -0.895509      7.770509
  H      -1.364660      2.027990      8.720949
  H      -0.051294      0.831524      8.900266
  C      -3.447176      3.779490      7.310696
  C      -3.972360      5.176449      6.978746
  O      -4.766177      5.176292      5.769823
  C      -4.236461      5.661016      4.637864
  O      -3.054860      5.942214      4.477942
  C      -5.326262      5.905712      3.613266
  N      -6.495803      6.314829      4.130746
  C      -7.487900      6.612730      3.248459
  N      -7.434524      6.529699      1.915195
  C      -6.260063      6.109511      1.382335
  C      -6.182795      5.971096     -0.017594
  C      -5.017235      5.511264     -0.591310
  C      -3.888880      5.204937      0.219405
  C      -3.937125      5.357063      1.598541
  C      -5.119420      5.792006      2.211271
  C      -1.414076     -0.520143      3.772047
  C      -1.812975     -0.141119      2.340338
  O      -2.532963      1.103125      2.180823
  C      -3.691727      1.369924      2.870787
  O      -3.629465      1.427022      4.168238
  C      -4.840136      1.835558      2.197848
  N      -5.789537      2.384654      3.021623
  C      -6.899428      2.864104      2.449973
  N      -7.256471      2.862807      1.157911
  C      -6.331170      2.323116      0.303646
  C      -6.634120      2.322422     -1.076316
  C      -5.737731      1.822466     -2.005612
  C      -4.506365      1.300193     -1.583511
  C      -4.184342      1.287057     -0.235956
  C      -5.070535      1.794614      0.750242
  C      -4.011905     -0.415729      6.912724
  C      -5.060159     -0.020326      7.950313
  O      -5.744710      1.192727      7.537215
  C      -6.921752      1.003328      6.889204
  O      -7.404395     -0.108498      6.660881
  C      -7.567308      2.313579      6.491709
  N      -7.220576      3.387711      7.194959
  C      -7.833860      4.553692      6.869358
  N      -8.724327      4.759920      5.920788
  C      -9.063987      3.680697      5.170944
  C      -9.968100      3.862388      4.099518
  C     -10.330718      2.790311      3.320653
  C      -9.808544      1.504581      3.590947
  C      -8.917873      1.293691      4.610665
  C      -8.516751      2.374930      5.424383
  H      -3.257742      3.754454      8.403901
  H      -4.258451      3.060007      7.118531
  H      -3.160591      5.917399      6.883604
  H      -4.679530      5.491373      7.766203
  H      -8.438264      6.973939      3.712216
  H      -7.069973      6.194448     -0.618146
  H      -4.960739      5.357282     -1.679670
  H      -2.965437      4.813011     -0.264396
  H      -3.060399      5.116288      2.209133
  H      -2.281537     -0.961511      4.287300
  H      -0.655187     -1.319181      3.699049
  H      -2.400362     -0.965885      1.896466
  H      -0.911233      0.017487      1.728055
  H      -7.607346      3.333280      3.130269
  H      -7.595171      2.743995     -1.372049
  H      -5.985894      1.835465     -3.066718
  H      -3.797616      0.901083     -2.317482
  H      -3.223907      0.889059      0.071314
  H      -4.478045     -0.376263      5.916842
  H      -3.731677     -1.473250      7.102245
  H      -5.797368     -0.824534      8.077754
  H      -4.603791      0.222566      8.922590
  H      -7.539577      5.417891      7.461082
  H     -10.345940      4.869237      3.910956
  H     -11.010289      2.934018      2.473436
  H     -10.100241      0.672985      2.970731
  H      -8.508905      0.302567      4.804147
  N      -1.374466      3.475764      3.724543
  H      -1.933333      3.215817      2.908491
  H      -0.389609      3.439494      3.433817
  H      -1.618383      4.423749      3.986678
99
Coordinates from ORCA-job orca E -6653.009874149972
  N      -2.252684      3.384194      6.585616
  Mo     -2.213499      1.704104      5.522086
  N      -2.817509      0.426206      6.899531
  C      -1.899399      0.064691      7.995743
  C      -0.877025      1.172420      8.232925
  N      -0.336012      1.651747      6.929998
  C       0.155532      3.050405      6.978877
  C      -1.036941      4.027615      7.073643
  C       0.682282      0.725004      6.365217
  C       0.531113      0.708147      4.839062
  N      -0.883801      0.611100      4.538053
  H      -0.793259      4.942069      6.498641
  H      -1.190529      4.350324      8.121979
  H       0.711958      3.215928      6.046559
  H       0.857717      3.194391      7.820458
  H       1.093349     -0.139310      4.412523
  H       0.968933      1.630423      4.410383
  H       0.469575     -0.280058      6.752640
  H       1.695531      1.015867      6.691490
  H      -2.446677     -0.105933      8.940185
  H      -1.393227     -0.894341      7.758187
  H      -1.373876      2.027160      8.711015
  H      -0.060911      0.832158      8.894526
  C      -3.467271      3.771074      7.296488
  C      -3.996722      5.160538      6.955133
  O      -4.788988      5.159885      5.743759
  C      -4.262185      5.654598      4.616462
  O      -3.082135      5.942014      4.454064
  C      -5.347089      5.896221      3.594080
  N      -6.508374      6.301902      4.101358
  C      -7.493337      6.609329      3.221109
  N      -7.440102      6.537672      1.901888
  C      -6.261778      6.098917      1.365227
  C      -6.165883      5.951494     -0.039830
  C      -4.998874      5.489047     -0.607690
  C      -3.880877      5.176893      0.203244
  C      -3.938929      5.321902      1.575607
  C      -5.130254      5.774610      2.192140
  C      -1.402410     -0.518077      3.761991
  C      -1.796585     -0.147116      2.325299
  O      -2.512235      1.095878      2.156959
  C      -3.674172      1.364482      2.844452
  O      -3.616359      1.429173      4.151668
  C      -4.826344      1.820416      2.156641
  N      -5.787032      2.374166      2.962947
  C      -6.884011      2.852951      2.378985
  N      -7.221896      2.844646      1.092152
  C      -6.289294      2.293924      0.247847
  C      -6.578471      2.274980     -1.138442
  C      -5.668631      1.773483     -2.053870
  C      -4.433210      1.274508     -1.605028
  C      -4.126228      1.274718     -0.250471
  C      -5.034048      1.774194      0.711691
  C      -4.010854     -0.418698      6.889290
  C      -5.058338     -0.031835      7.929166
  O      -5.752027      1.180070      7.537262
  C      -6.933328      0.997591      6.902104
  O      -7.418617     -0.095759      6.666575
  C      -7.588200      2.309340      6.553748
  N      -7.243043      3.356250      7.294819
  C      -7.869621      4.529608      7.031308
  N      -8.773834      4.762654      6.103747
  C      -9.109372      3.708665      5.305850
  C     -10.024078      3.923179      4.245314
  C     -10.380734      2.879523      3.419563
  C      -9.841329      1.588260      3.623601
  C      -8.939988      1.347240      4.637440
  C      -8.546069      2.400906      5.501697
  H      -3.284795      3.751305      8.392161
  H      -4.272465      3.045426      7.101677
  H      -3.189685      5.900383      6.861898
  H      -4.704492      5.472827      7.736444
  H      -8.430166      6.950207      3.663727
  H      -7.047853      6.185446     -0.638626
  H      -4.938238      5.348246     -1.685843
  H      -2.967704      4.801550     -0.264113
  H      -3.073542      5.081846      2.191138
  H      -2.273335     -0.957220      4.275685
  H      -0.643746     -1.319239      3.696536
  H      -2.383800     -0.973790      1.885223
  H      -0.894797      0.005245      1.715027
  H      -7.599969      3.334958      3.050574
  H      -7.540924      2.683917     -1.451034
  H      -5.907121      1.771947     -3.118028
  H      -3.709099      0.882084     -2.319589
  H      -3.163197      0.892673      0.078202
  H      -4.473707     -0.376442      5.892705
  H      -3.729909     -1.474712      7.077060
  H      -5.791486     -0.839050      8.054946
  H      -4.598208      0.205616      8.897675
  H      -7.580181      5.374040      7.664218
  H     -10.412849      4.932363      4.104590
  H     -11.066500      3.049909      2.587101
  H     -10.125298      0.776411      2.951600
  H      -8.517433      0.355824      4.777601
  N      -1.368571      3.493391      3.719966
  H      -1.921129      3.237284      2.897169
  H      -0.389791      3.461187      3.438953
  H      -1.615608      4.450508      3.988297
99
Coordinates from ORCA-job orca E -6653.007866402500
  N      -2.240864      3.391892      6.591142
  Mo     -2.204697      1.712759      5.523954
  N      -2.817833      0.432000      6.893530
  C      -1.906816      0.066158      7.991994
  C      -0.880997      1.168884      8.235511
  N      -0.336749      1.648536      6.935270
  C       0.162613      3.044222      6.991907
  C      -1.022813      4.026608      7.084212
  C       0.680236      0.719768      6.372892
  C       0.535555      0.710633      4.845819
  N      -0.879272      0.619073      4.539757
  H      -0.773288      4.936130      6.509452
  H      -1.173366      4.351310      8.131378
  H       0.721512      3.206103      6.062190
  H       0.864149      3.182303      7.835947
  H       1.095844     -0.137703      4.417779
  H       0.979175      1.633230      4.422010
  H       0.460293     -0.286517      6.754268
  H       1.692860      1.005911      6.707198
  H      -2.460563     -0.103182      8.932886
  H      -1.403536     -0.894625      7.755486
  H      -1.374725      2.024037      8.715072
  H      -0.067259      0.823548      8.896537
  C      -3.452396      3.780098      7.302253
  C      -3.982811      5.165323      6.957232
  O      -4.782001      5.164559      5.754612
  C      -4.269452      5.686113      4.622586
  O      -3.098545      5.993278      4.448869
  C      -5.355162      5.910737      3.610258
  N      -6.499161      6.329900      4.125008
  C      -7.476293      6.615650      3.248873
  N      -7.435003      6.526618      1.936058
  C      -6.274596      6.072033      1.392245
  C      -6.190383      5.897408     -0.009459
  C      -5.036496      5.408154     -0.588972
  C      -3.920720      5.090786      0.204299
  C      -3.964387      5.255479      1.567870
  C      -5.146272      5.748709      2.203337
  C      -1.401988     -0.502036      3.745527
  C      -1.788352     -0.112385      2.305753
  O      -2.500363      1.136636      2.153082
  C      -3.666705      1.395752      2.840107
  O      -3.611163      1.457059      4.146090
  C      -4.817791      1.848387      2.152932
  N      -5.776111      2.410149      2.951243
  C      -6.868981      2.878213      2.356178
  N      -7.209485      2.847981      1.061856
  C      -6.276138      2.295207      0.233078
  C      -6.559904      2.261862     -1.148954
  C      -5.651521      1.752407     -2.055396
  C      -4.421968      1.259552     -1.601473
  C      -4.116998      1.281531     -0.243298
  C      -5.023444      1.789801      0.710114
  C      -4.011492     -0.412485      6.869194
  C      -5.064127     -0.037809      7.910556
  O      -5.758767      1.177104      7.530471
  C      -6.943242      0.999230      6.896724
  O      -7.437052     -0.094749      6.658964
  C      -7.597442      2.312413      6.560595
  N      -7.259594      3.347433      7.323161
  C      -7.889430      4.517501      7.063787
  N      -8.791210      4.754604      6.121754
  C      -9.120141      3.713062      5.305901
  C     -10.038473      3.933281      4.252739
  C     -10.388042      2.902802      3.411075
  C      -9.836797      1.619912      3.586269
  C      -8.934181      1.373072      4.601803
  C      -8.550305      2.412825      5.491632
  H      -3.266152      3.763179      8.397240
  H      -4.258337      3.054392      7.110327
  H      -3.180103      5.901892      6.858292
  H      -4.681600      5.478763      7.738068
  H      -8.419582      6.997697      3.717446
  H      -7.069245      6.130086     -0.596721
  H      -4.982763      5.242504     -1.668367
  H      -3.021977      4.696723     -0.268131
  H      -3.102589      5.016899      2.170371
  H      -2.276874     -0.946896      4.251700
  H      -0.646742     -1.307864      3.675257
  H      -2.375491     -0.938958      1.852170
  H      -0.882439      0.048852      1.695996
  H      -7.581914      3.369249      3.023345
  H      -7.520710      2.660682     -1.471246
  H      -5.890104      1.731011     -3.124925
  H      -3.701918      0.851336     -2.317862
  H      -3.159051      0.903489      0.089415
  H      -4.468744     -0.360597      5.870313
  H      -3.730674     -1.470013      7.047696
  H      -5.796765     -0.846591      8.028258
  H      -4.606758      0.191292      8.881383
  H      -7.606735      5.353736      7.713305
  H     -10.436129      4.936532      4.134511
  H     -11.078506      3.078045      2.595247
  H     -10.114446      0.819965      2.901604
  H      -8.503974      0.388507      4.728542
  N      -1.352843      3.506443      3.720883
  H      -1.914078      3.260934      2.902985
  H      -0.370845      3.462884      3.431425
  H      -1.584599      4.465461      3.998374
99
Coordinates from ORCA-job orca E -6653.009985700822
  N      -2.239231      3.388591      6.590208
  Mo     -2.204284      1.709173      5.523633
  N      -2.816610      0.433598      6.898299
  C      -1.901324      0.067078      7.994702
  C      -0.873041      1.168461      8.233422
  N      -0.330033      1.646479      6.931501
  C       0.165771      3.043993      6.981727
  C      -1.023876      4.022844      7.088952
  C       0.685397      0.716117      6.366245
  C       0.534293      0.699730      4.840539
  N      -0.881218      0.610354      4.540229
  H      -0.777050      4.943815      6.527356
  H      -1.177611      4.332390      8.141132
  H       0.714534      3.209799      6.044622
  H       0.876297      3.183949      7.818456
  H       1.091992     -0.151456      4.414545
  H       0.977468      1.618994      4.411573
  H       0.469016     -0.288300      6.752725
  H       1.699184      1.002973      6.693304
  H      -2.450661     -0.101047      8.938277
  H      -1.400115     -0.894732      7.757149
  H      -1.364547      2.025035      8.713190
  H      -0.058639      0.822734      8.893783
  C      -3.455772      3.774227      7.297620
  C      -3.985857      5.162259      6.954772
  O      -4.779498      5.159589      5.745462
  C      -4.259184      5.666154      4.616238
  O      -3.082908      5.957558      4.449220
  C      -5.346700      5.904861      3.595729
  N      -6.502932      6.320753      4.100926
  C      -7.486119      6.621648      3.217862
  N      -7.437135      6.538545      1.901491
  C      -6.265546      6.090452      1.368455
  C      -6.173263      5.926551     -0.035361
  C      -5.011013      5.450968     -0.600884
  C      -3.893669      5.137983      0.209877
  C      -3.945293      5.291934      1.575445
  C      -5.132611      5.763079      2.192547
  C      -1.407090     -0.510240      3.751978
  C      -1.798887     -0.124710      2.316177
  O      -2.509472      1.122129      2.158241
  C      -3.672701      1.383929      2.845370
  O      -3.612713      1.451748      4.155023
  C      -4.827867      1.832861      2.158017
  N      -5.789068      2.386674      2.964252
  C      -6.885487      2.862894      2.380053
  N      -7.224780      2.849592      1.090104
  C      -6.291167      2.301206      0.250526
  C      -6.579836      2.280867     -1.132518
  C      -5.670369      1.780195     -2.047041
  C      -4.434283      1.284233     -1.598629
  C      -4.126188      1.289372     -0.242793
  C      -5.034771      1.787424      0.716886
  C      -4.012334     -0.407503      6.884374
  C      -5.058658     -0.022079      7.925611
  O      -5.756003      1.187754      7.535717
  C      -6.937423      1.001379      6.901861
  O      -7.419360     -0.091715      6.667603
  C      -7.598489      2.309821      6.555697
  N      -7.261055      3.355813      7.299037
  C      -7.894692      4.526373      7.030990
  N      -8.799608      4.756086      6.097972
  C      -9.127942      3.702429      5.300169
  C     -10.045003      3.913548      4.244845
  C     -10.390385      2.869948      3.410853
  C      -9.837824      1.582425      3.604068
  C      -8.936147      1.345026      4.621473
  C      -8.554304      2.398546      5.495732
  H      -3.276448      3.752913      8.393484
  H      -4.260718      3.047861      7.100045
  H      -3.179588      5.902448      6.861078
  H      -4.693879      5.475294      7.735336
  H      -8.420871      6.972638      3.659795
  H      -7.054793      6.159713     -0.634710
  H      -4.949473      5.291672     -1.683794
  H      -2.985596      4.753244     -0.253613
  H      -3.081925      5.053958      2.190827
  H      -2.282145     -0.948551      4.261013
  H      -0.653675     -1.317731      3.681789
  H      -2.389313     -0.944848      1.869682
  H      -0.897567      0.028700      1.707040
  H      -7.601728      3.346262      3.054182
  H      -7.544727      2.683953     -1.447439
  H      -5.911614      1.772024     -3.114184
  H      -3.711921      0.886527     -2.317533
  H      -3.162998      0.908930      0.084902
  H      -4.474519     -0.360851      5.888063
  H      -3.733722     -1.464269      7.068253
  H      -5.790316     -0.829942      8.055031
  H      -4.596034      0.217173      8.891544
  H      -7.611283      5.370781      7.663532
  H     -10.443935      4.919847      4.111609
  H     -11.077592      3.037783      2.584274
  H     -10.113096      0.771609      2.927858
  H      -8.504405      0.357154      4.758549
  N      -1.343963      3.497765      3.727257
  H      -1.896611      3.244032      2.907891
  H      -0.364525      3.459109      3.444850
  H      -1.583438      4.455517      3.996398
99
Coordinates from ORCA-job orca E -6653.008374892021
  N      -2.255157      3.389299      6.589236
  Mo     -2.199509      1.724475      5.496527
  N      -2.828460      0.424986      6.842891
  C      -1.926567      0.036024      7.944210
  C      -0.903292      1.135562      8.222559
  N      -0.342886      1.644831      6.938160
  C       0.141546      3.045705      7.019582
  C      -1.053090      4.005882      7.134088
  C       0.687293      0.731865      6.370079
  C       0.558066      0.739238      4.840611
  N      -0.853664      0.645857      4.516254
  H      -0.801102      4.936932      6.621204
  H      -1.228550      4.269740      8.180168
  H       0.694324      3.238010      6.092304
  H       0.841120      3.176474      7.860964
  H       1.126888     -0.101628      4.408808
  H       1.002715      1.667364      4.433359
  H       0.473777     -0.280612      6.736585
  H       1.694959      1.020895      6.715352
  H      -2.488558     -0.154759      8.876480
  H      -1.419621     -0.919240      7.691587
  H      -1.404025      1.979190      8.715725
  H      -0.096902      0.776151      8.886817
  C      -3.488113      3.775357      7.268732
  C      -4.016040      5.164866      6.918039
  O      -4.790886      5.145249      5.695547
  C      -4.263888      5.661987      4.575777
  O      -3.096978      6.008272      4.440714
  C      -5.332967      5.815871      3.513661
  N      -6.541552      6.149743      3.976736
  C      -7.518435      6.360946      3.054790
  N      -7.412409      6.258587      1.733205
  C      -6.190456      5.904997      1.250088
  C      -6.041932      5.743547     -0.145573
  C      -4.825878      5.358338     -0.663861
  C      -3.715112      5.139348      0.193911
  C      -3.828528      5.305161      1.562338
  C      -5.064439      5.679366      2.123525
  C      -1.352235     -0.455114      3.692405
  C      -1.716085     -0.035539      2.262570
  O      -2.443274      1.205118      2.124649
  C      -3.624412      1.428137      2.794419
  O      -3.585310      1.480917      4.100787
  C      -4.783985      1.829604      2.093712
  N      -5.787952      2.320091      2.890450
  C      -6.903620      2.738346      2.290234
  N      -7.221724      2.719996      0.992286
  C      -6.246034      2.229021      0.162801
  C      -6.512590      2.202365     -1.225595
  C      -5.566032      1.747900     -2.128226
  C      -4.316774      1.302178     -1.665965
  C      -4.029935      1.314906     -0.308128
  C      -4.971366      1.773401      0.645200
  C      -4.030687     -0.408126      6.802521
  C      -5.075468     -0.052548      7.858006
  O      -5.763272      1.179023      7.514100
  C      -6.950659      1.029399      6.878108
  O      -7.439255     -0.057107      6.591104
  C      -7.635353      2.357498      6.647349
  N      -7.271318      3.358479      7.441330
  C      -7.938579      4.531886      7.293748
  N      -8.908438      4.804584      6.444911
  C      -9.272716      3.800639      5.602722
  C     -10.275068      4.060391      4.638423
  C     -10.662756      3.067847      3.767296
  C     -10.067939      1.785266      3.833320
  C      -9.086953      1.500297      4.754537
  C      -8.660889      2.499624      5.662109
  H      -3.333434      3.750133      8.367812
  H      -4.287582      3.050267      7.049723
  H      -3.210019      5.911381      6.831781
  H      -4.737201      5.478210      7.690347
  H      -8.502848      6.642763      3.466475
  H      -6.917199      5.899105     -0.781929
  H      -4.713619      5.195946     -1.742144
  H      -2.754666      4.813672     -0.239897
  H      -2.967113      5.138595      2.212445
  H      -2.233630     -0.912152      4.170659
  H      -0.590935     -1.252202      3.616265
  H      -2.286734     -0.850440      1.781397
  H      -0.801921      0.146325      1.678322
  H      -7.658625      3.164857      2.953712
  H      -7.489092      2.564490     -1.551322
  H      -5.787669      1.738166     -3.195902
  H      -3.567615      0.940729     -2.375454
  H      -3.055415      0.975293      0.029377
  H      -4.495220     -0.323870      5.809186
  H      -3.757842     -1.473141      6.948770
  H      -5.812732     -0.860057      7.957416
  H      -4.611603      0.147185      8.834676
  H      -7.631383      5.336425      7.962868
  H     -10.706200      5.063298      4.604873
  H     -11.420314      3.274235      3.005699
  H     -10.377295      1.016715      3.133451
  H      -8.625766      0.514493      4.793110
  N      -1.297807      3.564174      3.731601
  H      -1.819331      3.311322      2.888870
  H      -0.305808      3.546064      3.481938
  H      -1.562504      4.509537      4.003133
99
Coordinates from ORCA-job orca E -6653.010628247257
  N      -2.225170      3.402366      6.611739
  Mo     -2.187141      1.745670      5.506906
  N      -2.823949      0.438266      6.836641
  C      -1.925064      0.036718      7.932882
  C      -0.890258      1.123950      8.212116
  N      -0.329681      1.633652      6.929813
  C       0.170177      3.026627      7.020546
  C      -1.013725      4.002314      7.157866
  C       0.684374      0.713905      6.349717
  C       0.551524      0.741327      4.822041
  N      -0.860715      0.667749      4.505683
  H      -0.753427      4.951276      6.654038
  H      -1.183470      4.252218      8.221600
  H       0.720751      3.222848      6.091661
  H       0.876373      3.138172      7.861692
  H       1.108056     -0.101246      4.378471
  H       1.005144      1.669272      4.423326
  H       0.457305     -0.299787      6.706212
  H       1.697331      0.985987      6.694649
  H      -2.485706     -0.152293      8.865934
  H      -1.428060     -0.921456      7.674333
  H      -1.379364      1.970341      8.712086
  H      -0.086109      0.751566      8.871432
  C      -3.448221      3.789825      7.303615
  C      -3.967030      5.181086      6.953890
  O      -4.763906      5.164894      5.744491
  C      -4.253195      5.680134      4.617149
  O      -3.091283      6.034991      4.466765
  C      -5.324931      5.805481      3.560704
  N      -6.529930      6.130162      4.019655
  C      -7.505030      6.323242      3.099559
  N      -7.402157      6.209924      1.787018
  C      -6.176503      5.852952      1.302015
  C      -6.018929      5.673983     -0.093707
  C      -4.798439      5.296528     -0.610172
  C      -3.690084      5.094738      0.245125
  C      -3.808653      5.271432      1.609638
  C      -5.052940      5.647795      2.172786
  C      -1.376034     -0.414433      3.668640
  C      -1.737851      0.026300      2.244927
  O      -2.455007      1.273735      2.128599
  C      -3.633586      1.485051      2.810955
  O      -3.583075      1.526687      4.119115
  C      -4.809779      1.854192      2.115411
  N      -5.829860      2.311720      2.911397
  C      -6.956832      2.692108      2.312212
  N      -7.273536      2.660598      1.018345
  C      -6.284424      2.196715      0.187373
  C      -6.553056      2.149044     -1.202402
  C      -5.593722      1.720050     -2.103785
  C      -4.328370      1.323885     -1.637695
  C      -4.039554      1.356125     -0.279246
  C      -4.995919      1.785981      0.669293
  C      -4.028372     -0.388624      6.780190
  C      -5.089137     -0.020426      7.815278
  O      -5.766890      1.209794      7.452555
  C      -6.951861      1.059758      6.816252
  O      -7.449025     -0.020764      6.542395
  C      -7.615548      2.388947      6.549154
  N      -7.228516      3.406411      7.310849
  C      -7.886747      4.581019      7.149782
  N      -8.878204      4.834363      6.320573
  C      -9.270728      3.809075      5.509791
  C     -10.311655      4.041195      4.574719
  C     -10.729973      3.026827      3.743062
  C     -10.127895      1.748835      3.814338
  C      -9.112767      1.489147      4.710799
  C      -8.658763      2.510771      5.583376
  H      -3.282769      3.764992      8.401997
  H      -4.253584      3.069884      7.091555
  H      -3.155546      5.914566      6.850382
  H      -4.668107      5.505568      7.734891
  H      -8.486326      6.595221      3.504773
  H      -6.893479      5.818568     -0.727031
  H      -4.685148      5.134292     -1.678306
  H      -2.733304      4.784495     -0.181166
  H      -2.950524      5.124976      2.260852
  H      -2.262737     -0.865571      4.143848
  H      -0.626117     -1.220448      3.580415
  H      -2.319366     -0.778120      1.756209
  H      -0.823934      0.206383      1.658893
  H      -7.726746      3.094649      2.976724
  H      -7.541511      2.474499     -1.529813
  H      -5.816926      1.694168     -3.170615
  H      -3.568179      0.986661     -2.342138
  H      -3.052570      1.054556      0.061029
  H      -4.475456     -0.304959      5.778328
  H      -3.764880     -1.454398      6.935858
  H      -5.831087     -0.824288      7.909356
  H      -4.640146      0.186757      8.796523
  H      -7.561186      5.400934      7.798734
  H     -10.749383      5.039161      4.536040
  H     -11.520261      3.210818      3.009958
  H     -10.459481      0.962300      3.135735
  H      -8.648738      0.507159      4.753844
  N      -1.288392      3.582399      3.776193
  H      -1.794481      3.333820      2.921457
  H      -0.294031      3.576174      3.544014
  H      -1.564992      4.527960      4.054918
99
Coordinates from ORCA-job orca E -6653.006247962343
  N      -2.178765      3.412412      6.664787
  Mo     -2.195397      1.754584      5.553264
  N      -2.823469      0.452389      6.894312
  C      -1.912049      0.041520      7.979497
  C      -0.848826      1.106222      8.235002
  N      -0.305305      1.602633      6.940380
  C       0.223083      2.986211      7.020941
  C      -0.941027      3.986253      7.190961
  C       0.675968      0.662041      6.336799
  C       0.511763      0.695916      4.811835
  N      -0.909443      0.652779      4.522726
  H      -0.671662      4.942823      6.688958
  H      -1.085668      4.230006      8.268204
  H       0.755109      3.173622      6.078137
  H       0.952674      3.081646      7.847300
  H       1.041498     -0.157122      4.355551
  H       0.977222      1.615043      4.406062
  H       0.434330     -0.347220      6.696355
  H       1.701681      0.911204      6.660345
  H      -2.458827     -0.132107      8.923453
  H      -1.438483     -0.927219      7.717078
  H      -1.308333      1.963441      8.744304
  H      -0.039883      0.716756      8.877759
  C      -3.376984      3.824729      7.390903
  C      -3.863441      5.229187      7.048012
  O      -4.706362      5.233536      5.869961
  C      -4.210755      5.703646      4.715735
  O      -3.039231      5.996135      4.518970
  C      -5.313181      5.900848      3.705545
  N      -6.466893      6.313407      4.209302
  C      -7.458964      6.578143      3.329159
  N      -7.422710      6.455580      2.020413
  C      -6.250438      5.999430      1.486114
  C      -6.165051      5.793232      0.086578
  C      -4.998445      5.325056     -0.478467
  C      -3.871108      5.055046      0.327397
  C      -3.917492      5.246682      1.690492
  C      -5.109714      5.715946      2.307480
  C      -1.458479     -0.411300      3.676977
  C      -1.837704      0.054787      2.264441
  O      -2.540809      1.312519      2.180156
  C      -3.708377      1.519047      2.886362
  O      -3.626984      1.565819      4.196106
  C      -4.900716      1.882439      2.211811
  N      -5.902873      2.355020      3.021773
  C      -7.034437      2.745330      2.440355
  N      -7.371740      2.711915      1.153656
  C      -6.402624      2.232245      0.309033
  C      -6.696770      2.179880     -1.075378
  C      -5.757374      1.741364     -1.992019
  C      -4.484989      1.343216     -1.545322
  C      -4.171054      1.380772     -0.191452
  C      -5.109716      1.814738      0.770266
  C      -4.028809     -0.374409      6.859842
  C      -5.088323      0.051489      7.871008
  O      -5.759827      1.254913      7.426601
  C      -6.945702      1.065700      6.809043
  O      -7.457702     -0.022600      6.630388
  C      -7.530480      2.365792      6.321349
  N      -7.094427      3.467029      6.919322
  C      -7.662961      4.638146      6.543735
  N      -8.611864      4.813064      5.644725
  C      -9.052821      3.692842      4.997435
  C     -10.051013      3.828999      3.998148
  C     -10.512933      2.717802      3.325822
  C      -9.997409      1.434304      3.621935
  C      -9.024659      1.266611      4.587694
  C      -8.531529      2.389978      5.305522
  H      -3.182675      3.798920      8.484627
  H      -4.206227      3.124523      7.203425
  H      -3.030694      5.928675      6.905920
  H      -4.522743      5.587671      7.849830
  H      -8.390121      6.930361      3.766562
  H      -7.054448      5.995761     -0.507629
  H      -4.944371      5.147644     -1.549082
  H      -2.962199      4.682801     -0.133225
  H      -3.045249      5.052038      2.304211
  H      -2.346051     -0.853693      4.160391
  H      -0.724728     -1.230716      3.565693
  H      -2.438063     -0.734693      1.774695
  H      -0.932677      0.231041      1.665416
  H      -7.789774      3.161606      3.117683
  H      -7.689896      2.508660     -1.387332
  H      -6.001258      1.710456     -3.056248
  H      -3.737842      0.999851     -2.261408
  H      -3.178802      1.078667      0.132703
  H      -4.469977     -0.329728      5.853133
  H      -3.773756     -1.434166      7.060120
  H      -5.833654     -0.742288      8.010833
  H      -4.639578      0.317631      8.836895
  H      -7.291175      5.532163      7.058588
  H     -10.424903      4.830010      3.784789
  H     -11.271479      2.825453      2.549458
  H     -10.360082      0.567047      3.062031
  H      -8.624559      0.280231      4.801779
  N      -1.277008      3.603852      3.785562
  H      -1.779378      3.353369      2.931219
  H      -0.283473      3.595385      3.556938
  H      -1.551588      4.553454      4.061106
99
Coordinates from ORCA-job orca E -6653.010698219159
  N      -2.223787      3.411670      6.627043
  Mo     -2.196611      1.757616      5.509614
  N      -2.839810      0.442124      6.828755
  C      -1.944456      0.028519      7.924204
  C      -0.902818      1.106271      8.213401
  N      -0.338979      1.621334      6.935354
  C       0.170038      3.010641      7.033200
  C      -1.006524      3.992234      7.185083
  C       0.668785      0.698321      6.350117
  C       0.538611      0.738896      4.823256
  N      -0.874401      0.676848      4.503652
  H      -0.737730      4.950451      6.700928
  H      -1.176873      4.222779      8.254900
  H       0.716237      3.209700      6.101643
  H       0.882546      3.112258      7.872276
  H       1.090141     -0.104350      4.374365
  H       1.000190      1.666495      4.432951
  H       0.433493     -0.316174      6.698268
  H       1.683139      0.959935      6.698422
  H      -2.507750     -0.162462      8.855224
  H      -1.453120     -0.931236      7.660395
  H      -1.385398      1.951544      8.721287
  H      -0.101864      0.721730      8.869270
  C      -3.440532      3.814850      7.324128
  C      -3.930009      5.215940      6.968955
  O      -4.744546      5.203844      5.771646
  C      -4.231851      5.680666      4.627977
  O      -3.065393      6.012340      4.462461
  C      -5.316456      5.840683      3.589600
  N      -6.500847      6.205503      4.065893
  C      -7.484534      6.424322      3.160472
  N      -7.410062      6.299538      1.849711
  C      -6.207003      5.897089      1.346350
  C      -6.084008      5.691951     -0.048394
  C      -4.884922      5.274493     -0.584243
  C      -3.763280      5.059340      0.249700
  C      -3.849393      5.252229      1.612492
  C      -5.073547      5.665363      2.197369
  C      -1.386973     -0.385866      3.638752
  C      -1.729830      0.090253      2.221851
  O      -2.448563      1.338983      2.135013
  C      -3.640744      1.509903      2.807985
  O      -3.594363      1.557073      4.117727
  C      -4.822575      1.831849      2.097740
  N      -5.866118      2.271003      2.873190
  C      -6.992235      2.619649      2.251288
  N      -7.285746      2.573609      0.952567
  C      -6.273229      2.127517      0.142705
  C      -6.520042      2.064785     -1.249729
  C      -5.536889      1.658580     -2.134541
  C      -4.267159      1.304280     -1.647415
  C      -3.999227      1.353944     -0.284892
  C      -4.982430      1.755898      0.647671
  C      -4.042821     -0.386014      6.766717
  C      -5.095272     -0.031870      7.814201
  O      -5.782245      1.197617      7.473333
  C      -6.979179      1.047130      6.864422
  O      -7.469187     -0.032018      6.579347
  C      -7.628487      2.377931      6.572806
  N      -7.209297      3.407447      7.297771
  C      -7.834871      4.593844      7.100952
  N      -8.820885      4.849885      6.264385
  C      -9.243363      3.811371      5.487937
  C     -10.272513      4.046324      4.541935
  C     -10.717029      3.020684      3.737688
  C     -10.150851      1.728967      3.845830
  C      -9.145609      1.466854      4.752465
  C      -8.668078      2.499398      5.601806
  H      -3.271369      3.790515      8.421491
  H      -4.259946      3.108208      7.117545
  H      -3.099929      5.923370      6.841872
  H      -4.609910      5.571951      7.755947
  H      -8.445406      6.735742      3.578489
  H      -6.968727      5.850796     -0.665253
  H      -4.798733      5.093957     -1.656861
  H      -2.824237      4.724700     -0.191720
  H      -2.980767      5.099796      2.247066
  H      -2.282581     -0.842030      4.093247
  H      -0.640475     -1.195721      3.540825
  H      -2.304293     -0.701121      1.705169
  H      -0.809956      0.287083      1.652267
  H      -7.785275      3.005752      2.900258
  H      -7.513489      2.358961     -1.593544
  H      -5.744625      1.618984     -3.206181
  H      -3.484967      0.985923     -2.339670
  H      -3.008329      1.087369      0.069952
  H      -4.494011     -0.293794      5.767947
  H      -3.777786     -1.452306      6.911877
  H      -5.832365     -0.839951      7.908275
  H      -4.636907      0.168213      8.791960
  H      -7.474859      5.426339      7.712385
  H     -10.682056      5.054689      4.473704
  H     -11.500667      3.204722      3.001504
  H     -10.499904      0.934053      3.184969
  H      -8.704403      0.476332      4.818242
  N      -1.256418      3.609469      3.779868
  H      -1.730190      3.352332      2.911870
  H      -0.255508      3.614486      3.579973
  H      -1.550889      4.552740      4.046921
99
Coordinates from ORCA-job orca E -6653.011068746208
  N      -2.198489      3.419972      6.641475
  Mo     -2.175001      1.772926      5.515410
  N      -2.830951      0.454145      6.822155
  C      -1.942323      0.030533      7.917710
  C      -0.893846      1.100192      8.211676
  N      -0.325211      1.617646      6.936619
  C       0.190982      3.003965      7.042609
  C      -0.980622      3.989770      7.206767
  C       0.677124      0.692023      6.345749
  C       0.549996      0.744428      4.818965
  N      -0.862162      0.693291      4.497987
  H      -0.707958      4.952863      6.733883
  H      -1.149839      4.208018      8.279476
  H       0.735401      3.207180      6.111013
  H       0.906525      3.096095      7.879800
  H       1.097108     -0.098474      4.364200
  H       1.017631      1.672375      4.436587
  H       0.434672     -0.323450      6.686059
  H       1.692667      0.944277      6.697704
  H      -2.508849     -0.159830      8.846920
  H      -1.457021     -0.931631      7.651516
  H      -1.371308      1.946253      8.723117
  H      -0.095950      0.707496      8.866652
  C      -3.420719      3.824560      7.326533
  C      -3.927519      5.217290      6.962074
  O      -4.735650      5.182521      5.760449
  C      -4.238686      5.687970      4.623486
  O      -3.085794      6.066841      4.463758
  C      -5.308722      5.746257      3.558787
  N      -6.528465      6.034612      3.999581
  C      -7.503383      6.165637      3.066752
  N      -7.385774      6.021299      1.759527
  C      -6.142361      5.702086      1.292735
  C      -5.965104      5.494461     -0.096541
  C      -4.724149      5.158585     -0.593250
  C      -3.613650      5.034645      0.274559
  C      -3.751611      5.237325      1.632269
  C      -5.018027      5.566069      2.177089
  C      -1.380424     -0.347603      3.611486
  C      -1.718143      0.155258      2.202051
  O      -2.439897      1.403614      2.138872
  C      -3.631656      1.553879      2.818745
  O      -3.578276      1.591287      4.127322
  C      -4.825058      1.867683      2.126828
  N      -5.864846      2.264834      2.928705
  C      -7.012300      2.591081      2.336045
  N      -7.330171      2.558536      1.043280
  C      -6.319469      2.160229      0.205283
  C      -6.591554      2.118344     -1.183673
  C      -5.615209      1.756203     -2.095128
  C      -4.327316      1.425832     -1.639226
  C      -4.034488      1.454731     -0.281482
  C      -5.009061      1.813439      0.678138
  C      -4.036499     -0.368620      6.742178
  C      -5.110024     -0.006273      7.765934
  O      -5.783698      1.224180      7.397021
  C      -6.965122      1.075185      6.755775
  O      -7.482611     -0.004579      6.525484
  C      -7.636423      2.405553      6.508645
  N      -7.198673      3.429840      7.231049
  C      -7.839758      4.614574      7.073824
  N      -8.863559      4.871333      6.286212
  C      -9.308171      3.839823      5.513706
  C     -10.381756      4.078461      4.619520
  C     -10.849908      3.061742      3.817073
  C     -10.264433      1.774834      3.877430
  C      -9.219717      1.507872      4.737154
  C      -8.715703      2.531739      5.581979
  H      -3.259185      3.806436      8.425284
  H      -4.232591      3.110592      7.116224
  H      -3.109107      5.938541      6.834798
  H      -4.616400      5.565683      7.743615
  H      -8.494710      6.414120      3.455469
  H      -6.841046      5.581762     -0.739894
  H      -4.595455      4.972572     -1.658908
  H      -2.639974      4.764380     -0.136982
  H      -2.891718      5.157414      2.292969
  H      -2.280212     -0.805236      4.055452
  H      -0.640292     -1.161120      3.500323
  H      -2.289784     -0.626625      1.668246
  H      -0.796567      0.364313      1.639370
  H      -7.802891      2.939903      3.007419
  H      -7.599221      2.391419     -1.502231
  H      -5.842605      1.731851     -3.162338
  H      -3.550765      1.143072     -2.351603
  H      -3.029275      1.208974      0.048112
  H      -4.469172     -0.276219      5.735208
  H      -3.778591     -1.435947      6.894254
  H      -5.851605     -0.811525      7.847331
  H      -4.673197      0.197776      8.752936
  H      -7.465418      5.442380      7.683265
  H     -10.804837      5.083407      4.587526
  H     -11.667044      3.249748      3.117637
  H     -10.632816      0.987182      3.218160
  H      -8.766562      0.520754      4.767800
  N      -1.218251      3.613549      3.815585
  H      -1.665484      3.347011      2.935104
  H      -0.212451      3.630191      3.643853
  H      -1.529924      4.554282      4.073550
99
Coordinates from ORCA-job orca E -6653.012025876082
  N      -2.208697      3.418789      6.647186
  Mo     -2.179835      1.776472      5.510474
  N      -2.843044      0.450155      6.805782
  C      -1.958878      0.017070      7.901187
  C      -0.910736      1.083496      8.207979
  N      -0.337248      1.610076      6.939106
  C       0.178721      2.995485      7.055489
  C      -0.992803      3.978792      7.227527
  C       0.667995      0.688326      6.347342
  C       0.547676      0.749091      4.820652
  N      -0.863480      0.699366      4.494079
  H      -0.716505      4.949530      6.772221
  H      -1.168001      4.179863      8.303020
  H       0.722377      3.205798      6.125043
  H       0.894734      3.081640      7.893168
  H       1.096381     -0.091989      4.364326
  H       1.017714      1.678644      4.444765
  H       0.424010     -0.329103      6.680723
  H       1.681931      0.938546      6.705515
  H      -2.529213     -0.179844      8.826749
  H      -1.473456     -0.943456      7.629295
  H      -1.389021      1.925688      8.724840
  H      -0.115700      0.684454      8.862549
  C      -3.431897      3.824111      7.330426
  C      -3.921544      5.223996      6.968230
  O      -4.734640      5.201464      5.769620
  C      -4.230496      5.692066      4.628433
  O      -3.072070      6.051333      4.464990
  C      -5.308230      5.790373      3.574771
  N      -6.513359      6.107780      4.031684
  C      -7.494476      6.270724      3.111504
  N      -7.397897      6.128882      1.803641
  C      -6.170641      5.778040      1.319765
  C      -6.018769      5.567188     -0.071647
  C      -4.793070      5.205285     -0.587293
  C      -3.673491      5.054356      0.263294
  C      -3.787590      5.253671      1.623067
  C      -5.038554      5.610451      2.187901
  C      -1.375293     -0.332242      3.593139
  C      -1.698674      0.185236      2.185832
  O      -2.423919      1.432178      2.134616
  C      -3.624625      1.560759      2.805779
  O      -3.578365      1.605308      4.114791
  C      -4.818991      1.842490      2.101811
  N      -5.874333      2.234678      2.886350
  C      -7.019881      2.535124      2.275313
  N      -7.321474      2.480544      0.978920
  C      -6.295825      2.083910      0.159381
  C      -6.551772      2.015411     -1.231432
  C      -5.559835      1.655520     -2.126332
  C      -4.271816      1.354652     -1.651272
  C      -3.995018      1.409783     -0.290828
  C      -4.986125      1.765300      0.652276
  C      -4.050270     -0.368685      6.719840
  C      -5.111879     -0.023512      7.761286
  O      -5.788517      1.213161      7.423474
  C      -6.985629      1.075539      6.811291
  O      -7.496932      0.001158      6.544816
  C      -7.633744      2.412426      6.540826
  N      -7.180938      3.441396      7.246001
  C      -7.802701      4.632875      7.067116
  N      -8.821958      4.891982      6.272594
  C      -9.283611      3.853042      5.519458
  C     -10.353311      4.090363      4.619925
  C     -10.837644      3.065227      3.838090
  C     -10.273605      1.770569      3.925109
  C      -9.233387      1.504826      4.790246
  C      -8.711826      2.537931      5.613128
  H      -3.274314      3.800041      8.429530
  H      -4.248635      3.117159      7.114365
  H      -3.092045      5.931112      6.836461
  H      -4.602153      5.585304      7.751389
  H      -8.473218      6.546395      3.513934
  H      -6.901564      5.675391     -0.701548
  H      -4.684350      5.017834     -1.655304
  H      -2.712807      4.763565     -0.163125
  H      -2.921144      5.151926      2.270406
  H      -2.281057     -0.791303      4.023653
  H      -0.636379     -1.147105      3.481521
  H      -2.262917     -0.591757      1.636762
  H      -0.772016      0.404381      1.635158
  H      -7.824373      2.881291      2.932621
  H      -7.560104      2.266690     -1.565348
  H      -5.774943      1.610391     -3.195848
  H      -3.482311      1.074379     -2.350777
  H      -2.989228      1.187324      0.053208
  H      -4.491573     -0.257641      5.718542
  H      -3.793142     -1.438945      6.850841
  H      -5.853476     -0.829304      7.836580
  H      -4.663460      0.162456      8.746555
  H      -7.412714      5.465586      7.660484
  H     -10.761278      5.100289      4.567817
  H     -11.652433      3.251613      3.136368
  H     -10.654945      0.975563      3.282212
  H      -8.795501      0.511778      4.840740
  N      -1.203185      3.628805      3.827906
  H      -1.610928      3.344701      2.933985
  H      -0.192117      3.669053      3.693511
  H      -1.546101      4.563339      4.068078
99
Coordinates from ORCA-job orca E -6653.011745739327
  N      -2.215902      3.432081      6.687428
  Mo     -2.187758      1.811291      5.516505
  N      -2.856315      0.459175      6.781622
  C      -1.971909     -0.002568      7.865092
  C      -0.920905      1.053915      8.196218
  N      -0.347994      1.610032      6.939401
  C       0.169103      2.992493      7.087837
  C      -1.000844      3.971369      7.288569
  C       0.656700      0.701123      6.326053
  C       0.536196      0.794711      4.800939
  N      -0.875428      0.753049      4.473861
  H      -0.721000      4.956232      6.866731
  H      -1.178780      4.137374      8.369828
  H       0.708464      3.224958      6.160123
  H       0.889356      3.058470      7.923903
  H       1.083954     -0.037254      4.326964
  H       1.008065      1.731305      4.444894
  H       0.412116     -0.323251      6.636992
  H       1.670800      0.942514      6.689770
  H      -2.541393     -0.220456      8.786486
  H      -1.488931     -0.957323      7.569362
  H      -1.396379      1.883981      8.734635
  H      -0.125800      0.637043      8.839472
  C      -3.443915      3.847797      7.354262
  C      -3.919966      5.243488      6.960994
  O      -4.722309      5.190945      5.755980
  C      -4.194409      5.622951      4.602617
  O      -3.029915      5.963930      4.443334
  C      -5.259407      5.708595      3.534515
  N      -6.465609      6.051731      3.968100
  C      -7.435384      6.197988      3.032415
  N      -7.325241      6.017997      1.730520
  C      -6.096219      5.641667      1.271000
  C      -5.930739      5.391288     -0.112331
  C      -4.703487      5.001190     -0.602696
  C      -3.595298      4.861955      0.265003
  C      -3.722482      5.099410      1.617228
  C      -4.975972      5.485304      2.156869
  C      -1.384128     -0.243062      3.532849
  C      -1.697384      0.325778      2.143285
  O      -2.434279      1.567274      2.139546
  C      -3.640324      1.646510      2.812338
  O      -3.591472      1.675439      4.121806
  C      -4.845872      1.890758      2.114235
  N      -5.915907      2.229120      2.903893
  C      -7.075589      2.482507      2.297649
  N      -7.377461      2.426519      1.001426
  C      -6.335195      2.088654      0.176502
  C      -6.589559      2.025695     -1.214980
  C      -5.582829      1.725519     -2.115249
  C      -4.280893      1.481225     -1.645051
  C      -4.005534      1.531891     -0.284264
  C      -5.011348      1.825879      0.664095
  C      -4.065364     -0.355142      6.677563
  C      -5.120452     -0.043909      7.736513
  O      -5.803907      1.198444      7.435848
  C      -7.014539      1.070738      6.849126
  O      -7.522635      0.001441      6.557876
  C      -7.650449      2.413356      6.575707
  N      -7.173874      3.443069      7.263112
  C      -7.776847      4.642700      7.075923
  N      -8.797021      4.910727      6.285734
  C      -9.284349      3.870507      5.551228
  C     -10.354852      4.117462      4.655624
  C     -10.869034      3.091068      3.894746
  C     -10.333904      1.785273      3.999133
  C      -9.289809      1.511294      4.857021
  C      -8.737705      2.545784      5.658792
  H      -3.299262      3.837566      8.455204
  H      -4.261594      3.142313      7.136527
  H      -3.082782      5.938631      6.814925
  H      -4.602372      5.632049      7.729552
  H      -8.415432      6.494570      3.415493
  H      -6.805308      5.490353     -0.755437
  H      -4.585291      4.781739     -1.664153
  H      -2.633163      4.549409     -0.142125
  H      -2.864362      5.007098      2.277283
  H      -2.295323     -0.712945      3.939751
  H      -0.647918     -1.057032      3.397198
  H      -2.250323     -0.433297      1.559077
  H      -0.767961      0.574474      1.610238
  H      -7.893241      2.785557      2.959975
  H      -7.609359      2.232744     -1.544749
  H      -5.797053      1.683881     -3.185232
  H      -3.479011      1.249563     -2.348559
  H      -2.988890      1.356272      0.055627
  H      -4.513648     -0.212666      5.683478
  H      -3.807390     -1.429014      6.772894
  H      -5.858731     -0.854127      7.794045
  H      -4.665817      0.115658      8.723482
  H      -7.365061      5.476174      7.652597
  H     -10.739909      5.135682      4.590033
  H     -11.686039      3.284248      3.197645
  H     -10.739001      0.988304      3.373395
  H      -8.872288      0.510227      4.918356
  N      -1.198582      3.697823      3.884142
  H      -1.576837      3.417713      2.975841
  H      -0.185098      3.759544      3.780270
  H      -1.563614      4.622339      4.130330
99
Coordinates from ORCA-job orca E -6653.012556063461
  N      -2.197509      3.438003      6.690018
  Mo     -2.176535      1.816934      5.515020
  N      -2.860181      0.468222      6.775403
  C      -1.980430     -0.003422      7.858323
  C      -0.920731      1.043449      8.192044
  N      -0.343537      1.598424      6.936378
  C       0.182817      2.977440      7.089511
  C      -0.980757      3.960910      7.301381
  C       0.655414      0.683230      6.321429
  C       0.535719      0.776326      4.796102
  N      -0.876459      0.744939      4.469632
  H      -0.693220      4.950451      6.895875
  H      -1.159727      4.111564      8.384926
  H       0.719173      3.211362      6.160475
  H       0.907539      3.035099      7.922440
  H       1.076810     -0.060877      4.323541
  H       1.015808      1.708400      4.438665
  H       0.403794     -0.339508      6.632232
  H       1.670933      0.917431      6.685837
  H      -2.551897     -0.219076      8.778976
  H      -1.504944     -0.961246      7.560255
  H      -1.389171      1.875660      8.733105
  H      -0.128774      0.618256      8.833653
  C      -3.425616      3.859806      7.353239
  C      -3.904947      5.256272      6.964059
  O      -4.707800      5.203099      5.759398
  C      -4.196067      5.674028      4.614663
  O      -3.051461      6.080892      4.467478
  C      -5.259188      5.721181      3.542530
  N      -6.484380      5.989684      3.973793
  C      -7.456070      6.093312      3.034405
  N      -7.329523      5.934376      1.731461
  C      -6.078695      5.636504      1.274115
  C      -5.891741      5.414585     -0.111446
  C      -4.639663      5.111453     -0.600282
  C      -3.528711      5.031173      0.271107
  C      -3.676929      5.237302      1.625704
  C      -4.955197      5.536069      2.163651
  C      -1.390535     -0.236196      3.516034
  C      -1.694402      0.347876      2.130634
  O      -2.431736      1.589335      2.142041
  C      -3.639839      1.653467      2.816314
  O      -3.586836      1.698972      4.125287
  C      -4.851798      1.870542      2.121324
  N      -5.920924      2.211449      2.910556
  C      -7.085552      2.445657      2.306412
  N      -7.392890      2.368453      1.012214
  C      -6.351731      2.025969      0.188338
  C      -6.612147      1.938555     -1.200623
  C      -5.607459      1.632637     -2.100900
  C      -4.301080      1.407844     -1.633388
  C      -4.019968      1.483086     -0.274857
  C      -5.023848      1.781547      0.673638
  C      -4.071472     -0.341879      6.663129
  C      -5.131697     -0.033284      7.717862
  O      -5.811660      1.210002      7.412301
  C      -7.020096      1.080971      6.820883
  O      -7.532159      0.010190      6.542361
  C      -7.660819      2.422518      6.551808
  N      -7.172670      3.455199      7.226188
  C      -7.776913      4.654616      7.042575
  N      -8.811288      4.919578      6.269702
  C      -9.311725      3.876705      5.548327
  C     -10.400026      4.120822      4.674171
  C     -10.925535      3.093944      3.921685
  C     -10.385854      1.789365      4.015724
  C      -9.327577      1.517079      4.857146
  C      -8.762463      2.552578      5.649726
  H      -3.282832      3.847094      8.454237
  H      -4.243674      3.155483      7.132943
  H      -3.070626      5.954751      6.818568
  H      -4.588293      5.641122      7.733424
  H      -8.452526      6.334944      3.415613
  H      -6.767691      5.466882     -0.757914
  H      -4.502882      4.913677     -1.664221
  H      -2.546924      4.786992     -0.135342
  H      -2.817990      5.189714      2.289384
  H      -2.308912     -0.699697      3.914339
  H      -0.662899     -1.057391      3.376119
  H      -2.244216     -0.404211      1.534512
  H      -0.762061      0.603111      1.605587
  H      -7.902548      2.750453      2.969211
  H      -7.635240      2.131448     -1.528709
  H      -5.826528      1.571523     -3.169228
  H      -3.500040      1.173208     -2.337265
  H      -2.999538      1.324934      0.062112
  H      -4.515635     -0.193248      5.668197
  H      -3.816200     -1.416931      6.753636
  H      -5.871463     -0.842510      7.768254
  H      -4.683020      0.122919      8.707983
  H      -7.352942      5.490802      7.606149
  H     -10.790942      5.137360      4.619154
  H     -11.756115      3.285382      3.240916
  H     -10.800991      0.991370      3.398073
  H      -8.908691      0.516621      4.912707
  N      -1.152626      3.682797      3.891672
  H      -1.502077      3.386727      2.976750
  H      -0.136750      3.751959      3.819217
  H      -1.530686      4.607286      4.117837
99
Coordinates from ORCA-job orca E -6653.011986032586
  N      -2.187036      3.438083      6.687382
  Mo     -2.163087      1.813363      5.510221
  N      -2.856701      0.465768      6.768681
  C      -1.983131     -0.010301      7.856858
  C      -0.920839      1.032784      8.197283
  N      -0.336194      1.588995      6.944093
  C       0.191092      2.967660      7.103310
  C      -0.973083      3.949519      7.315257
  C       0.664819      0.671488      6.333137
  C       0.550591      0.758778      4.806266
  N      -0.861383      0.731515      4.472209
  H      -0.678923      4.943066      6.927542
  H      -1.161387      4.085773      8.398004
  H       0.729663      3.205040      6.176512
  H       0.913306      3.022152      7.937955
  H       1.090462     -0.082855      4.340101
  H       1.036513      1.686921      4.446533
  H       0.411285     -0.350062      6.646329
  H       1.679181      0.905713      6.700365
  H      -2.559701     -0.225936      8.774171
  H      -1.508932     -0.968897      7.559249
  H      -1.389233      1.865609      8.737476
  H      -0.132845      0.604142      8.841421
  C      -3.415443      3.859554      7.352817
  C      -3.893967      5.263950      6.983054
  O      -4.714274      5.233575      5.788198
  C      -4.232619      5.746724      4.648861
  O      -3.090068      6.153756      4.483454
  C      -5.300862      5.750367      3.578432
  N      -6.529797      6.002013      4.009278
  C      -7.506979      6.074705      3.071381
  N      -7.383204      5.892608      1.770993
  C      -6.129253      5.610885      1.314452
  C      -5.946256      5.367834     -0.067781
  C      -4.689789      5.090530     -0.558521
  C      -3.572049      5.053476      0.308442
  C      -3.717879      5.277720      1.661191
  C      -4.999300      5.552406      2.200697
  C      -1.370247     -0.239234      3.506461
  C      -1.661717      0.356519      2.123864
  O      -2.407858      1.593853      2.140436
  C      -3.620531      1.642055      2.809925
  O      -3.570351      1.699912      4.118403
  C      -4.836729      1.834209      2.113189
  N      -5.915227      2.149106      2.901583
  C      -7.084800      2.361587      2.296645
  N      -7.387042      2.286493      1.001299
  C      -6.337531      1.967512      0.177963
  C      -6.593770      1.881709     -1.212313
  C      -5.581689      1.599536     -2.112106
  C      -4.271989      1.396656     -1.643172
  C      -3.994963      1.469718     -0.284074
  C      -5.005919      1.744872      0.664538
  C      -4.068939     -0.341133      6.647385
  C      -5.143440     -0.018090      7.681695
  O      -5.803269      1.229684      7.351421
  C      -6.995453      1.108075      6.727528
  O      -7.531843      0.039579      6.487066
  C      -7.638307      2.453260      6.484409
  N      -7.129315      3.479993      7.152624
  C      -7.733161      4.682786      6.992977
  N      -8.789431      4.955852      6.253274
  C      -9.312022      3.919106      5.537952
  C     -10.427738      4.170159      4.700364
  C     -10.971519      3.151121      3.950836
  C     -10.425586      1.847221      4.014066
  C      -9.345907      1.566717      4.823608
  C      -8.760875      2.593573      5.611232
  H      -3.270361      3.834770      8.453029
  H      -4.235903      3.158781      7.129771
  H      -3.058700      5.962122      6.838201
  H      -4.568386      5.642085      7.764870
  H      -8.504460      6.307891      3.450791
  H      -6.827060      5.388032     -0.710431
  H      -4.554121      4.879562     -1.620142
  H      -2.585591      4.827342     -0.100058
  H      -2.854009      5.260554      2.320689
  H      -2.295075     -0.700198      3.892692
  H      -0.645428     -1.062850      3.367586
  H      -2.200158     -0.393073      1.514844
  H      -0.725203      0.622545      1.611820
  H      -7.910667      2.644411      2.959951
  H      -7.619661      2.057910     -1.541195
  H      -5.797395      1.540505     -3.180783
  H      -3.464901      1.182435     -2.346464
  H      -2.971952      1.332688      0.053272
  H      -4.498666     -0.195283      5.645750
  H      -3.820367     -1.417092      6.746970
  H      -5.891133     -0.820505      7.722187
  H      -4.713109      0.141443      8.679571
  H      -7.292434      5.512591      7.553081
  H     -10.826868      5.184881      4.672371
  H     -11.823004      3.348092      3.296814
  H     -10.856664      1.055222      3.400553
  H      -8.925664      0.565510      4.858275
  N      -1.101167      3.681527      3.870823
  H      -1.425605      3.365218      2.953470
  H      -0.084574      3.761615      3.824994
  H      -1.495352      4.604314      4.071939
99
Coordinates from ORCA-job orca E -6653.013181258175
  N      -2.184019      3.443365      6.715877
  Mo     -2.161335      1.829861      5.520794
  N      -2.868772      0.471188      6.758075
  C      -1.999543     -0.026018      7.838801
  C      -0.933476      1.007183      8.196232
  N      -0.344143      1.578732      6.952500
  C       0.188245      2.952828      7.132242
  C      -0.971442      3.935472      7.360470
  C       0.655314      0.666007      6.331981
  C       0.545915      0.772699      4.806446
  N      -0.864850      0.754313      4.469109
  H      -0.669376      4.936363      6.996386
  H      -1.164176      4.049161      8.445899
  H       0.726319      3.201680      6.208124
  H       0.912295      2.992186      7.966365
  H       1.083816     -0.065540      4.331830
  H       1.036910      1.703145      4.459259
  H       0.397609     -0.358640      6.631496
  H       1.669278      0.892281      6.705244
  H      -2.578558     -0.252760      8.751937
  H      -1.529456     -0.982117      7.526976
  H      -1.398975      1.833936      8.747951
  H      -0.148387      0.565555      8.835026
  C      -3.415693      3.880150      7.362005
  C      -3.876633      5.278756      6.953821
  O      -4.689718      5.217275      5.755023
  C      -4.193351      5.682098      4.601135
  O      -3.050188      6.085849      4.433494
  C      -5.264709      5.692072      3.533871
  N      -6.490647      5.944565      3.970033
  C      -7.472592      6.015942      3.037468
  N      -7.354248      5.835871      1.736674
  C      -6.102214      5.556539      1.273473
  C      -5.924059      5.323510     -0.111636
  C      -4.670291      5.045362     -0.608529
  C      -3.550178      4.997951      0.254107
  C      -3.690152      5.214334      1.608216
  C      -4.968970      5.491560      2.154593
  C      -1.370431     -0.184200      3.471315
  C      -1.644525      0.452793      2.103541
  O      -2.399369      1.684156      2.154854
  C      -3.617066      1.691616      2.819736
  O      -3.569413      1.743305      4.128264
  C      -4.838186      1.849240      2.123282
  N      -5.928619      2.115090      2.912902
  C      -7.106173      2.281360      2.309209
  N      -7.406026      2.200030      1.013705
  C      -6.342935      1.936979      0.188499
  C      -6.594603      1.855031     -1.202865
  C      -5.570793      1.628786     -2.104811
  C      -4.253511      1.479405     -1.637013
  C      -3.980738      1.549176     -0.276830
  C      -5.003022      1.768500      0.673863
  C      -4.083317     -0.328749      6.619549
  C      -5.154736     -0.031204      7.665599
  O      -5.824248      1.219229      7.365037
  C      -7.032233      1.105509      6.770262
  O      -7.567135      0.040895      6.509740
  C      -7.662796      2.455481      6.520143
  N      -7.131708      3.484337      7.167238
  C      -7.717450      4.694013      6.994242
  N      -8.773991      4.973298      6.256914
  C      -9.320822      3.933617      5.564542
  C     -10.434154      4.191857      4.726224
  C     -11.007014      3.169094      4.003768
  C     -10.491711      1.854494      4.094069
  C      -9.410640      1.568482      4.900209
  C      -8.795119      2.599393      5.659510
  H      -3.283713      3.875185      8.464169
  H      -4.238451      3.181319      7.141096
  H      -3.032401      5.961524      6.790950
  H      -4.549809      5.688655      7.719884
  H      -8.469755      6.245022      3.423267
  H      -6.806841      5.349022     -0.750613
  H      -4.539092      4.839905     -1.671623
  H      -2.566317      4.771354     -0.159263
  H      -2.824333      5.190329      2.263868
  H      -2.303490     -0.647910      3.834286
  H      -0.650959     -1.009865      3.316801
  H      -2.170701     -0.279904      1.463778
  H      -0.703048      0.740980      1.612653
  H      -7.942490      2.524446      2.974437
  H      -7.627208      1.988434     -1.530638
  H      -5.783335      1.571340     -3.174389
  H      -3.437290      1.309898     -2.341970
  H      -2.952322      1.456488      0.059308
  H      -4.515276     -0.158519      5.622697
  H      -3.835766     -1.407054      6.692711
  H      -5.897686     -0.838431      7.693884
  H      -4.720027      0.109766      8.664300
  H      -7.257085      5.525526      7.535753
  H     -10.806308      5.215641      4.673980
  H     -11.857235      3.371174      3.350194
  H     -10.945343      1.058688      3.501683
  H      -9.011443      0.559644      4.952859
  N      -1.089330      3.713177      3.921057
  H      -1.385476      3.393169      2.995032
  H      -0.073667      3.813461      3.904402
  H      -1.504986      4.627685      4.117605
99
Coordinates from ORCA-job orca E -6653.013251861856
  N      -2.186267      3.451695      6.739846
  Mo     -2.162977      1.849950      5.524299
  N      -2.882462      0.478816      6.739559
  C      -2.014616     -0.042123      7.808172
  C      -0.945858      0.981660      8.182384
  N      -0.355037      1.572388      6.948453
  C       0.180291      2.941641      7.153129
  C      -0.976214      3.921230      7.402725
  C       0.644046      0.668051      6.314723
  C       0.535201      0.792836      4.791009
  N      -0.875071      0.779474      4.454343
  H      -0.666383      4.930225      7.067978
  H      -1.172598      4.007481      8.490184
  H       0.716785      3.206765      6.232657
  H       0.906624      2.963676      7.985747
  H       1.071537     -0.041906      4.308154
  H       1.028786      1.725757      4.453426
  H       0.386340     -0.360310      6.601281
  H       1.657849      0.889628      6.691116
  H      -2.593536     -0.283475      8.717766
  H      -1.548036     -0.993782      7.477782
  H      -1.409329      1.800289      8.747494
  H      -0.161462      0.527669      8.813271
  C      -3.420607      3.904010      7.367658
  C      -3.866018      5.300705      6.937130
  O      -4.671736      5.221703      5.734777
  C      -4.170525      5.670065      4.577400
  O      -3.024077      6.062837      4.405480
  C      -5.230857      5.637459      3.499294
  N      -6.467376      5.861468      3.919416
  C      -7.442485      5.890874      2.977471
  N      -7.304753      5.699444      1.679743
  C      -6.039943      5.454536      1.232280
  C      -5.839021      5.224009     -0.150751
  C      -4.571657      4.985777     -0.632800
  C      -3.461224      4.969679      0.243573
  C      -3.622856      5.183351      1.595477
  C      -4.915042      5.428413      2.125669
  C      -1.375307     -0.124911      3.424529
  C      -1.637711      0.551044      2.074108
  O      -2.408373      1.770669      2.159912
  C      -3.625505      1.736709      2.828509
  O      -3.575721      1.789617      4.137131
  C      -4.854120      1.848315      2.136757
  N      -5.954475      2.054228      2.929860
  C      -7.140007      2.167384      2.329496
  N      -7.438679      2.086121      1.033660
  C      -6.364580      1.891039      0.204415
  C      -6.612856      1.820195     -1.188405
  C      -5.579702      1.660784     -2.093582
  C      -4.256323      1.568003     -1.628061
  C      -3.986634      1.627425     -0.266929
  C      -5.017758      1.780108      0.687010
  C      -4.099959     -0.312067      6.583562
  C      -5.167072     -0.039009      7.641156
  O      -5.840745      1.216361      7.370577
  C      -7.062733      1.113242      6.802327
  O      -7.598915      0.053640      6.523116
  C      -7.680183      2.469061      6.548379
  N      -7.126049      3.498739      7.174803
  C      -7.697799      4.714103      6.995507
  N      -8.759324      4.999736      6.268041
  C      -9.331397      3.959090      5.598472
  C     -10.450903      4.223932      4.770741
  C     -11.052810      3.200405      4.073459
  C     -10.561068      1.878124      4.179890
  C      -9.472709      1.586167      4.974404
  C      -8.825874      2.618194      5.705862
  H      -3.301196      3.909568      8.471196
  H      -4.246674      3.209601      7.144307
  H      -3.014863      5.972746      6.766149
  H      -4.539229      5.731013      7.691585
  H      -8.450816      6.094581      3.352118
  H      -6.714428      5.222130     -0.799930
  H      -4.421759      4.783498     -1.693722
  H      -2.466277      4.769911     -0.157689
  H      -2.764404      5.180859      2.261639
  H      -2.314629     -0.593304      3.765262
  H      -0.659172     -0.950083      3.252930
  H      -2.147542     -0.166855      1.404892
  H      -0.693915      0.866216      1.604172
  H      -7.985839      2.357478      2.998843
  H      -7.650876      1.908454     -1.513874
  H      -5.789668      1.610926     -3.163975
  H      -3.433259      1.451234     -2.335707
  H      -2.954427      1.581205      0.067841
  H      -4.534516     -0.114575      5.592754
  H      -3.855276     -1.392659      6.628224
  H      -5.908040     -0.848476      7.655942
  H      -4.728004      0.080964      8.640797
  H      -7.218559      5.545686      7.519966
  H     -10.802838      5.254007      4.704703
  H     -11.908074      3.407451      3.427982
  H     -11.038821      1.080364      3.609671
  H      -9.091405      0.571060      5.039332
  N      -1.091363      3.747289      3.964995
  H      -1.374058      3.426382      3.034817
  H      -0.077422      3.865424      3.965444
  H      -1.524903      4.653367      4.162940
99
Coordinates from ORCA-job orca E -6653.013522879681
  N      -2.174188      3.457307      6.750252
  Mo     -2.169233      1.852273      5.531515
  N      -2.892754      0.485557      6.752452
  C      -2.018680     -0.044324      7.812341
  C      -0.940410      0.970683      8.180456
  N      -0.355168      1.561556      6.943383
  C       0.189977      2.926710      7.152712
  C      -0.959270      3.910854      7.414702
  C       0.635334      0.653425      6.299475
  C       0.514670      0.775313      4.776001
  N      -0.898575      0.769290      4.449354
  H      -0.641630      4.921220      7.089683
  H      -1.151758      3.988343      8.504091
  H       0.722604      3.193393      6.230286
  H       0.921857      2.940203      7.980877
  H       1.041804     -0.064974      4.292362
  H       1.012384      1.703545      4.431250
  H       0.376522     -0.373777      6.589200
  H       1.652903      0.871687      6.667203
  H      -2.591332     -0.285094      8.726003
  H      -1.560849     -0.997562      7.474269
  H      -1.394633      1.790857      8.750659
  H      -0.153801      0.510382      8.803780
  C      -3.401326      3.942438      7.367439
  C      -3.842424      5.330906      6.911824
  O      -4.644795      5.222185      5.712123
  C      -4.150519      5.668840      4.554643
  O      -3.024414      6.119689      4.390567
  C      -5.205103      5.597815      3.475226
  N      -6.455912      5.736388      3.890342
  C      -7.425909      5.716812      2.942165
  N      -7.265312      5.556934      1.641718
  C      -5.982626      5.402457      1.201062
  C      -5.752622      5.216458     -0.184786
  C      -4.466951      5.073267     -0.656969
  C      -3.366288      5.105365      0.232095
  C      -3.554615      5.276955      1.585941
  C      -4.866260      5.430471      2.103736
  C      -1.405774     -0.125763      3.416212
  C      -1.669069      0.557631      2.071686
  O      -2.439345      1.775544      2.168704
  C      -3.651001      1.740156      2.847745
  O      -3.595317      1.804472      4.158214
  C      -4.879956      1.851932      2.158952
  N      -5.976512      2.066574      2.951350
  C      -7.159132      2.191860      2.350602
  N      -7.460238      2.117952      1.055133
  C      -6.388382      1.917370      0.225670
  C      -6.635989      1.858298     -1.167843
  C      -5.603587      1.694876     -2.072707
  C      -4.281668      1.586297     -1.606084
  C      -4.012958      1.635056     -0.244323
  C      -5.043720      1.790828      0.709136
  C      -4.112280     -0.306916      6.605227
  C      -5.170928     -0.029512      7.671698
  O      -5.848807      1.222942      7.393981
  C      -7.077721      1.109250      6.838798
  O      -7.614191      0.044274      6.582933
  C      -7.696485      2.459669      6.556985
  N      -7.134076      3.503801      7.151822
  C      -7.703201      4.716121      6.945218
  N      -8.767199      4.987496      6.217621
  C      -9.348414      3.933209      5.580153
  C     -10.470734      4.185811      4.754131
  C     -11.086278      3.150383      4.086570
  C     -10.604731      1.827128      4.223027
  C      -9.511053      1.547134      5.017326
  C      -8.849873      2.592555      5.718692
  H      -3.279042      3.971120      8.470218
  H      -4.234212      3.251055      7.160358
  H      -2.991894      5.999898      6.727271
  H      -4.515398      5.775722      7.657032
  H      -8.449471      5.848532      3.313095
  H      -6.619165      5.173846     -0.844201
  H      -4.293157      4.907137     -1.720901
  H      -2.357039      4.978062     -0.161498
  H      -2.704408      5.311260      2.265017
  H      -2.347635     -0.589213      3.757587
  H      -0.696255     -0.955544      3.238513
  H      -2.178449     -0.156221      1.397872
  H      -0.726138      0.877239      1.602998
  H      -7.999877      2.390550      3.020298
  H      -7.672781      1.958911     -1.493714
  H      -5.812835      1.653535     -3.143904
  H      -3.458771      1.466455     -2.313790
  H      -2.981708      1.578642      0.091410
  H      -4.556214     -0.111937      5.618100
  H      -3.865524     -1.387057      6.649005
  H      -5.912032     -0.838496      7.699952
  H      -4.721778      0.097375      8.665889
  H      -7.217978      5.559564      7.442961
  H     -10.813069      5.217533      4.665973
  H     -11.944338      3.348171      3.442639
  H     -11.093707      1.018587      3.677734
  H      -9.137656      0.531044      5.105825
  N      -1.099508      3.747418      3.952263
  H      -1.383436      3.413211      3.027404
  H      -0.086714      3.873954      3.952344
  H      -1.539999      4.653251      4.139808
99
Coordinates from ORCA-job orca E -6653.013723979643
  N      -2.178609      3.448915      6.747616
  Mo     -2.152143      1.833982      5.542469
  N      -2.881590      0.470168      6.763296
  C      -2.016983     -0.049776      7.836255
  C      -0.949039      0.974435      8.211285
  N      -0.353079      1.560197      6.976238
  C       0.183820      2.930321      7.180893
  C      -0.973024      3.912172      7.422924
  C       0.648877      0.650717      6.351083
  C       0.544016      0.759651      4.825597
  N      -0.866175      0.745948      4.482851
  H      -0.655124      4.921546      7.094990
  H      -1.178186      3.997002      8.509348
  H       0.724515      3.192886      6.261792
  H       0.906801      2.952790      8.016504
  H       1.079706     -0.082685      4.355008
  H       1.042085      1.686832      4.478751
  H       0.391635     -0.375131      6.646943
  H       1.661365      0.876948      6.727582
  H      -2.598844     -0.289713      8.744233
  H      -1.549358     -1.001768      7.508120
  H      -1.414999      1.795817      8.770126
  H      -0.166799      0.523400      8.846693
  C      -3.417162      3.928109      7.345527
  C      -3.852516      5.317776      6.877443
  O      -4.651574      5.216976      5.671600
  C      -4.153096      5.657720      4.509015
  O      -3.021221      6.096314      4.345144
  C      -5.220245      5.625789      3.437206
  N      -6.458940      5.805462      3.872076
  C      -7.443825      5.829334      2.941271
  N      -7.315565      5.672791      1.638356
  C      -6.050702      5.467910      1.173958
  C      -5.862353      5.272776     -0.216570
  C      -4.596439      5.076486     -0.719305
  C      -3.476341      5.057153      0.144848
  C      -3.625061      5.235581      1.503192
  C      -4.914901      5.448235      2.054377
  C      -1.360165     -0.150535      3.444303
  C      -1.612020      0.531707      2.095395
  O      -2.392789      1.745841      2.180087
  C      -3.609994      1.703472      2.847978
  O      -3.562199      1.770258      4.156091
  C      -4.841832      1.811072      2.158595
  N      -5.942735      1.985553      2.958352
  C      -7.131589      2.101681      2.365193
  N      -7.432321      2.055937      1.068207
  C      -6.358918      1.896037      0.231563
  C      -6.611222      1.868126     -1.162375
  C      -5.580253      1.743848     -2.074529
  C      -4.254894      1.643726     -1.615405
  C      -3.980777      1.662250     -0.254330
  C      -5.009516      1.779174      0.707442
  C      -4.096044     -0.324207      6.601156
  C      -5.173059     -0.044481      7.646165
  O      -5.844803      1.208646      7.361324
  C      -7.056809      1.101458      6.773172
  O      -7.604787      0.039722      6.529126
  C      -7.687872      2.454972      6.545713
  N      -7.124715      3.481004      7.169983
  C      -7.699948      4.696993      7.008414
  N      -8.771518      4.987252      6.297269
  C      -9.351404      3.951098      5.627208
  C     -10.477671      4.222996      4.810838
  C     -11.089227      3.204433      4.114675
  C     -10.599735      1.880633      4.210116
  C      -9.502485      1.582638      4.990178
  C      -8.845461      2.609056      5.720241
  H      -3.310681      3.961354      8.449853
  H      -4.245050      3.232629      7.131877
  H      -2.997920      5.983178      6.697344
  H      -4.528840      5.767448      7.618472
  H      -8.451590      5.998428      3.329100
  H      -6.745493      5.270185     -0.855435
  H      -4.454506      4.908395     -1.787795
  H      -2.482708      4.884861     -0.271676
  H      -2.759678      5.225556      2.159338
  H      -2.305441     -0.614973      3.775297
  H      -0.647003     -0.979107      3.275917
  H      -2.108642     -0.185760      1.416041
  H      -0.665635      0.856783      1.637674
  H      -7.978102      2.265679      3.042810
  H      -7.650903      1.960306     -1.481640
  H      -5.793132      1.726448     -3.145552
  H      -3.433339      1.554632     -2.329155
  H      -2.947783      1.614012      0.075116
  H      -4.521186     -0.131573      5.605385
  H      -3.851331     -1.404300      6.653345
  H      -5.914019     -0.853890      7.658349
  H      -4.744139      0.083036      8.649170
  H      -7.213015      5.524946      7.531694
  H     -10.825003      5.255169      4.751081
  H     -11.949508      3.416614      3.478056
  H     -11.086075      1.086129      3.642435
  H      -9.122857      0.566421      5.045831
  N      -1.066484      3.720570      3.950683
  H      -1.331365      3.365499      3.028138
  H      -0.055632      3.859451      3.965127
  H      -1.523217      4.622313      4.111866
99
Coordinates from ORCA-job orca E -6653.014291632368
  N      -2.175889      3.452146      6.775870
  Mo     -2.151515      1.849555      5.549148
  N      -2.890930      0.472934      6.747934
  C      -2.028771     -0.070395      7.810460
  C      -0.956910      0.943833      8.202631
  N      -0.358906      1.548355      6.976557
  C       0.181518      2.913759      7.204273
  C      -0.971845      3.892883      7.466747
  C       0.641462      0.646343      6.337138
  C       0.536635      0.774853      4.812913
  N      -0.873907      0.767863      4.470465
  H      -0.647448      4.909064      7.167414
  H      -1.180579      3.950553      8.554212
  H       0.720344      3.191852      6.288751
  H       0.906384      2.919593      8.038007
  H       1.070053     -0.063617      4.332722
  H       1.037713      1.704591      4.476937
  H       0.383353     -0.383133      6.619563
  H       1.654384      0.866709      6.716075
  H      -2.611331     -0.324709      8.714126
  H      -1.564555     -1.017745      7.464458
  H      -1.420298      1.757400      8.774758
  H      -0.175920      0.479830      8.830218
  C      -3.412118      3.947564      7.362718
  C      -3.835615      5.333391      6.872748
  O      -4.640938      5.212829      5.673241
  C      -4.155967      5.651233      4.504828
  O      -3.027897      6.096780      4.329897
  C      -5.212378      5.552440      3.427080
  N      -6.463477      5.669069      3.848905
  C      -7.439258      5.636080      2.909103
  N      -7.289496      5.480749      1.607543
  C      -6.010481      5.342439      1.156498
  C      -5.797163      5.163111     -0.232930
  C      -4.517068      5.041776     -0.723362
  C      -3.407030      5.079694      0.153040
  C      -3.579901      5.244696      1.510792
  C      -4.884938      5.384455      2.048480
  C      -1.364499     -0.093231      3.402200
  C      -1.607652      0.628112      2.072288
  O      -2.401496      1.831608      2.189643
  C      -3.616450      1.751587      2.859925
  O      -3.564462      1.810370      4.167184
  C      -4.855193      1.811695      2.177083
  N      -5.960992      1.911191      2.982966
  C      -7.157828      1.964110      2.396364
  N      -7.461700      1.917919      1.100139
  C      -6.384453      1.834749      0.257305
  C      -6.641174      1.807436     -1.136498
  C      -5.608948      1.749737     -2.053559
  C      -4.277869      1.717134     -1.600535
  C      -3.998931      1.736153     -0.240892
  C      -5.028044      1.787973      0.726348
  C      -4.111716     -0.306600      6.566380
  C      -5.191410     -0.041193      7.612104
  O      -5.852481      1.220574      7.339909
  C      -7.069817      1.130293      6.760283
  O      -7.623348      0.075929      6.495109
  C      -7.679742      2.492741      6.523512
  N      -7.093569      3.517218      7.129149
  C      -7.655511      4.739081      6.965770
  N      -8.736149      5.036410      6.272085
  C      -9.342369      4.001116      5.624234
  C     -10.486126      4.278300      4.833728
  C     -11.126176      3.260822      4.162826
  C     -10.649267      1.932497      4.259751
  C      -9.537368      1.628878      5.016163
  C      -8.850427      2.654256      5.718846
  H      -3.309133      3.994531      8.466872
  H      -4.244920      3.256094      7.155455
  H      -2.975953      5.987635      6.676159
  H      -4.503641      5.803448      7.608162
  H      -8.459180      5.754303      3.286947
  H      -6.671918      5.115903     -0.881105
  H      -4.354939      4.890701     -1.790357
  H      -2.400453      4.965688     -0.253723
  H      -2.721923      5.281172      2.176285
  H      -2.314620     -0.561940      3.713124
  H      -0.654816     -0.920262      3.214040
  H      -2.092535     -0.072311      1.366811
  H      -0.660053      0.975201      1.632893
  H      -8.009701      2.060887      3.079941
  H      -7.685727      1.844601     -1.450356
  H      -5.824990      1.731953     -3.123486
  H      -3.456194      1.680382     -2.318110
  H      -2.963069      1.739760      0.084013
  H      -4.532844     -0.087694      5.574174
  H      -3.875453     -1.389517      6.595288
  H      -5.935792     -0.847606      7.607272
  H      -4.768262      0.067895      8.619928
  H      -7.150965      5.565395      7.474995
  H     -10.824181      5.313418      4.774599
  H     -12.001014      3.476816      3.546527
  H     -11.159152      1.137925      3.713523
  H      -9.169311      0.608432      5.074640
  N      -1.052452      3.753096      3.987888
  H      -1.305821      3.399935      3.060679
  H      -0.043386      3.902795      4.016842
  H      -1.519861      4.649549      4.149937
99
Coordinates from ORCA-job orca E -6653.014248025846
  N      -2.185186      3.449685      6.784651
  Mo     -2.158516      1.846168      5.553536
  N      -2.904160      0.467234      6.748900
  C      -2.038958     -0.084075      7.802334
  C      -0.969071      0.928022      8.198530
  N      -0.372963      1.538882      6.975829
  C       0.168194      2.901851      7.213633
  C      -0.982930      3.880524      7.480714
  C       0.628941      0.641567      6.331815
  C       0.521722      0.768975      4.808315
  N      -0.888568      0.757178      4.468192
  H      -0.653178      4.897158      7.188010
  H      -1.192641      3.933775      8.568280
  H       0.708462      3.185032      6.300481
  H       0.892139      2.900870      8.048105
  H       1.055706     -0.070711      4.330421
  H       1.021323      1.698401      4.468928
  H       0.375743     -0.388998      6.614316
  H       1.641544      0.866161      6.708586
  H      -2.618741     -0.345661      8.705819
  H      -1.575075     -1.028117      7.446689
  H      -1.434220      1.738592      8.773309
  H      -0.186384      0.463132      8.823092
  C      -3.415746      3.980703      7.350368
  C      -3.822705      5.356996      6.824329
  O      -4.630161      5.213349      5.632301
  C      -4.148632      5.629267      4.456578
  O      -3.009240      6.040567      4.266482
  C      -5.205904      5.516331      3.384918
  N      -6.461405      5.598200      3.807802
  C      -7.436440      5.566044      2.867688
  N      -7.280732      5.447989      1.560620
  C      -5.996372      5.349186      1.109378
  C      -5.773582      5.226966     -0.285557
  C      -4.488799      5.157729     -0.775477
  C      -3.382963      5.184793      0.107478
  C      -3.564150      5.294924      1.469546
  C      -4.874048      5.388002      2.004916
  C      -1.369521     -0.099650      3.394147
  C      -1.612301      0.622029      2.067531
  O      -2.412761      1.819065      2.185887
  C      -3.621424      1.742176      2.866159
  O      -3.571817      1.811863      4.175179
  C      -4.854893      1.797720      2.176959
  N      -5.965229      1.910110      2.969555
  C      -7.151753      1.982916      2.368110
  N      -7.443448      1.947946      1.068533
  C      -6.359255      1.850258      0.238746
  C      -6.598021      1.828832     -1.158590
  C      -5.554855      1.745379     -2.060637
  C      -4.230874      1.682603     -1.589221
  C      -3.969594      1.700369     -0.226554
  C      -5.010790      1.776910      0.725570
  C      -4.125702     -0.314119      6.574266
  C      -5.186452     -0.047660      7.640693
  O      -5.853351      1.215328      7.385853
  C      -7.084793      1.123273      6.833605
  O      -7.635183      0.067806      6.566020
  C      -7.691638      2.484931      6.579713
  N      -7.096913      3.516192      7.165413
  C      -7.655756      4.737403      6.987814
  N      -8.739872      5.029282      6.298793
  C      -9.355613      3.987881      5.672088
  C     -10.503584      4.260941      4.887571
  C     -11.152039      3.240076      4.229703
  C     -10.680936      1.910763      4.337708
  C      -9.567068      1.609822      5.094796
  C      -8.868459      2.640475      5.780237
  H      -3.314747      4.057633      8.452929
  H      -4.258022      3.295688      7.159863
  H      -2.955852      5.996090      6.609943
  H      -4.483974      5.854026      7.547815
  H      -8.461102      5.658860      3.247927
  H      -6.644917      5.188384     -0.938903
  H      -4.318816      5.058800     -1.847601
  H      -2.371996      5.109096     -0.298108
  H      -2.708494      5.323831      2.142053
  H      -2.319104     -0.573561      3.699670
  H      -0.656368     -0.923585      3.205396
  H      -2.089961     -0.079051      1.357943
  H      -0.666004      0.977360      1.632131
  H      -8.007054      2.085264      3.041009
  H      -7.637217      1.888283     -1.486198
  H      -5.756329      1.730367     -3.133530
  H      -3.400903      1.624508     -2.296047
  H      -2.938255      1.678146      0.114217
  H      -4.561029     -0.093582      5.588565
  H      -3.887930     -1.396898      6.597174
  H      -5.933715     -0.851453      7.652657
  H      -4.739808      0.058803      8.638728
  H      -7.143803      5.569310      7.478738
  H     -10.835774      5.296997      4.820632
  H     -12.029033      3.453928      3.616080
  H     -11.198916      1.112160      3.805227
  H      -9.205746      0.587677      5.166185
  N      -1.076650      3.755330      4.001402
  H      -1.347851      3.402318      3.079377
  H      -0.068487      3.912142      4.015433
  H      -1.548674      4.649388      4.169416
99
Coordinates from ORCA-job orca E -6653.014807274571
  N      -2.178800      3.449706      6.808066
  Mo     -2.150083      1.852322      5.566076
  N      -2.904202      0.466070      6.746610
  C      -2.044535     -0.097776      7.798451
  C      -0.973141      0.908781      8.207330
  N      -0.372085      1.529013      6.990275
  C       0.171423      2.889766      7.241369
  C      -0.978899      3.867304      7.516921
  C       0.630197      0.633894      6.341692
  C       0.527222      0.770959      4.818205
  N      -0.883072      0.765165      4.473556
  H      -0.644600      4.888032      7.242867
  H      -1.194268      3.904040      8.604365
  H       0.712397      3.181047      6.331146
  H       0.894810      2.879653      8.076216
  H       1.060156     -0.067631      4.337100
  H       1.031064      1.700717      4.485876
  H       0.374589     -0.398041      6.617008
  H       1.642244      0.854468      6.722284
  H      -2.628046     -0.367284      8.697148
  H      -1.580945     -1.039031      7.435072
  H      -1.438349      1.715518      8.787416
  H      -0.193208      0.436916      8.830038
  C      -3.410999      3.989137      7.361259
  C      -3.815834      5.358469      6.812599
  O      -4.623926      5.192036      5.623317
  C      -4.149366      5.603582      4.442317
  O      -3.029467      6.068666      4.258302
  C      -5.203374      5.464700      3.370902
  N      -6.460706      5.501987      3.795182
  C      -7.434943      5.441602      2.856587
  N      -7.278662      5.332909      1.549219
  C      -5.992984      5.274037      1.095712
  C      -5.771077      5.155517     -0.299545
  C      -4.486697      5.120202     -0.793750
  C      -3.379934      5.179669      0.085810
  C      -3.560043      5.287249      1.448510
  C      -4.870291      5.346615      1.988980
  C      -1.361405     -0.063899      3.377086
  C      -1.594231      0.687322      2.063978
  O      -2.405676      1.876168      2.203214
  C      -3.614217      1.769231      2.880449
  O      -3.561741      1.831818      4.187923
  C      -4.854190      1.787329      2.198131
  N      -5.962683      1.832060      3.001302
  C      -7.157986      1.858097      2.412041
  N      -7.458234      1.835764      1.114265
  C      -6.377860      1.805517      0.273910
  C      -6.629098      1.799861     -1.121722
  C      -5.592293      1.781576     -2.034355
  C      -4.262153      1.771533     -1.576042
  C      -3.988182      1.776064     -0.216033
  C      -5.022140      1.786112      0.747353
  C      -4.128769     -0.305155      6.553266
  C      -5.202490     -0.044643      7.606896
  O      -5.854986      1.224546      7.347697
  C      -7.077702      1.144377      6.777011
  O      -7.637547      0.094272      6.508439
  C      -7.677205      2.511694      6.536685
  N      -7.066927      3.536291      7.117691
  C      -7.618582      4.762317      6.952076
  N      -8.711705      5.064406      6.281544
  C      -9.344206      4.029317      5.660360
  C     -10.505315      4.311669      4.897953
  C     -11.170342      3.296947      4.247346
  C     -10.703293      1.964943      4.340609
  C      -9.577973      1.655187      5.075728
  C      -8.863125      2.678762      5.754337
  H      -3.315261      4.081030      8.462998
  H      -4.252895      3.302028      7.176771
  H      -2.947893      5.991648      6.585457
  H      -4.475056      5.869951      7.528267
  H      -8.460492      5.501271      3.237651
  H      -6.643356      5.090444     -0.949600
  H      -4.317723      5.024694     -1.866196
  H      -2.368578      5.130272     -0.322358
  H      -2.703717      5.338996      2.117405
  H      -2.315991     -0.538680      3.665753
  H      -0.651746     -0.887641      3.174789
  H      -2.061002     -0.000316      1.334256
  H      -0.646289      1.058167      1.645406
  H      -8.012883      1.902966      3.094503
  H      -7.673178      1.817550     -1.438569
  H      -5.803331      1.777915     -3.105441
  H      -3.437507      1.766092     -2.291246
  H      -2.953819      1.797491      0.114216
  H      -4.551805     -0.069844      5.565693
  H      -3.897760     -1.389539      6.566262
  H      -5.953448     -0.844994      7.598901
  H      -4.773126      0.051152      8.613544
  H      -7.092220      5.588804      7.437354
  H     -10.835137      5.349340      4.843160
  H     -12.058278      3.517545      3.651847
  H     -11.234651      1.171134      3.813975
  H      -9.220990      0.630950      5.136658
  N      -1.042543      3.764841      4.026537
  H      -1.296204      3.405934      3.101677
  H      -0.036118      3.929603      4.057704
  H      -1.524422      4.655601      4.182621
99
Coordinates from ORCA-job orca E -6653.014956477323
  N      -2.185002      3.452473      6.827204
  Mo     -2.148521      1.868745      5.568125
  N      -2.904349      0.465780      6.728513
  C      -2.047935     -0.109456      7.777340
  C      -0.980547      0.894796      8.203427
  N      -0.376620      1.529970      6.994839
  C       0.165222      2.889233      7.262659
  C      -0.987311      3.862430      7.546012
  C       0.629745      0.642472      6.340422
  C       0.531307      0.794655      4.817960
  N      -0.878713      0.791063      4.468140
  H      -0.653388      4.887131      7.286260
  H      -1.206955      3.885265      8.633033
  H       0.707518      3.191454      6.356748
  H       0.886398      2.870042      8.099245
  H       1.066446     -0.039035      4.330803
  H       1.035739      1.727814      4.496464
  H       0.375193     -0.392496      6.605031
  H       1.640233      0.861366      6.725900
  H      -2.634539     -0.392644      8.669702
  H      -1.579941     -1.044519      7.403672
  H      -1.450240      1.694008      8.790380
  H      -0.201726      0.417938      8.823588
  C      -3.419349      3.992199      7.374234
  C      -3.818359      5.362268      6.818975
  O      -4.621675      5.198527      5.625148
  C      -4.143805      5.614790      4.444212
  O      -3.018734      6.071034      4.266063
  C      -5.186938      5.467073      3.364344
  N      -6.447854      5.505833      3.780045
  C      -7.414765      5.452777      2.835638
  N      -7.253711      5.345139      1.529579
  C      -5.966757      5.275380      1.083567
  C      -5.741769      5.140832     -0.308884
  C      -4.456734      5.081242     -0.799182
  C      -3.352956      5.140551      0.082981
  C      -3.536433      5.265311      1.444060
  C      -4.847263      5.343065      1.982292
  C      -1.353085     -0.022628      3.358892
  C      -1.583754      0.745475      2.054218
  O      -2.404242      1.928368      2.203393
  C      -3.610609      1.807493      2.880151
  O      -3.555059      1.858839      4.186247
  C      -4.855517      1.796265      2.203251
  N      -5.958484      1.811815      3.015942
  C      -7.160148      1.801448      2.438017
  N      -7.468956      1.762680      1.142501
  C      -6.395779      1.748773      0.292651
  C      -6.660446      1.712519     -1.100018
  C      -5.632689      1.703979     -2.022569
  C      -4.298421      1.738215     -1.577947
  C      -4.010800      1.775410     -0.221495
  C      -5.035079      1.775271      0.753047
  C      -4.126080     -0.304866      6.517042
  C      -5.209483     -0.059518      7.563820
  O      -5.862095      1.212411      7.320248
  C      -7.073623      1.141753      6.726863
  O      -7.627582      0.096742      6.428294
  C      -7.680675      2.511889      6.528170
  N      -7.076120      3.520098      7.142111
  C      -7.631835      4.748442      7.013267
  N      -8.728209      5.065795      6.353944
  C      -9.355673      4.047063      5.700066
  C     -10.519934      4.345302      4.947491
  C     -11.179102      3.346579      4.267099
  C     -10.702464      2.015735      4.317660
  C      -9.573505      1.691133      5.039350
  C      -8.865754      2.697265      5.749960
  H      -3.328319      4.086621      8.475995
  H      -4.261376      3.305562      7.188633
  H      -2.946163      5.990731      6.595058
  H      -4.478390      5.878360      7.531444
  H      -8.441053      5.515790      3.209394
  H      -6.613379      5.077435     -0.960138
  H      -4.285804      4.971227     -1.870246
  H      -2.340825      5.075108     -0.320698
  H      -2.682460      5.315008      2.113098
  H      -2.308126     -0.502591      3.637891
  H      -0.641824     -0.842655      3.146983
  H      -2.043734      0.064915      1.313630
  H      -0.636326      1.126830      1.644308
  H      -8.012022      1.832206      3.128060
  H      -7.707774      1.696815     -1.406173
  H      -5.853955      1.675556     -3.091284
  H      -3.481243      1.741676     -2.301680
  H      -2.974591      1.830205      0.096812
  H      -4.540452     -0.057858      5.528806
  H      -3.894135     -1.388988      6.518718
  H      -5.958981     -0.860645      7.536600
  H      -4.789941      0.022198      8.575745
  H      -7.107002      5.561704      7.523123
  H     -10.857058      5.381775      4.924156
  H     -12.069766      3.579363      3.680489
  H     -11.228933      1.235312      3.766609
  H      -9.209813      0.667905      5.068066
  N      -1.021984      3.794864      4.046038
  H      -1.266701      3.439285      3.117515
  H      -0.016466      3.963196      4.084060
  H      -1.509226      4.682708      4.198406
99
Coordinates from ORCA-job orca E -6653.015299563136
  N      -2.194944      3.442993      6.842302
  Mo     -2.143987      1.862551      5.576896
  N      -2.909780      0.453138      6.724081
  C      -2.059419     -0.129819      7.772614
  C      -0.998066      0.874207      8.213712
  N      -0.387191      1.517407      7.012422
  C       0.151991      2.876178      7.291717
  C      -1.002750      3.846687      7.572999
  C       0.626123      0.634359      6.361328
  C       0.537099      0.788899      4.838721
  N      -0.870838      0.782004      4.479008
  H      -0.666717      4.873291      7.324018
  H      -1.230366      3.861671      8.658238
  H       0.699276      3.184151      6.390775
  H       0.867584      2.852148      8.132663
  H       1.077207     -0.043805      4.355135
  H       1.042184      1.723096      4.521380
  H       0.373709     -0.401888      6.622619
  H       1.633364      0.856632      6.752935
  H      -2.651189     -0.422589      8.658462
  H      -1.586410     -1.060287      7.393474
  H      -1.475082      1.669388      8.800216
  H      -0.222169      0.396759      8.836894
  C      -3.428894      3.999039      7.372580
  C      -3.828971      5.356362      6.785722
  O      -4.639965      5.165981      5.602060
  C      -4.180751      5.579862      4.412204
  O      -3.064213      6.054969      4.223917
  C      -5.227682      5.409561      3.342293
  N      -6.487514      5.397033      3.769103
  C      -7.460607      5.336342      2.832668
  N      -7.309467      5.266686      1.521807
  C      -6.024442      5.242189      1.064040
  C      -5.809698      5.139844     -0.332430
  C      -4.528450      5.117693     -0.836272
  C      -3.418392      5.188403      0.037381
  C      -3.592020      5.286323      1.402521
  C      -4.898483      5.322646      1.954699
  C      -1.329574     -0.014546      3.352399
  C      -1.547728      0.770313      2.056528
  O      -2.383428      1.942432      2.210795
  C      -3.589292      1.804543      2.882351
  O      -3.539530      1.854669      4.187571
  C      -4.831250      1.767246      2.199367
  N      -5.937474      1.747539      3.006419
  C      -7.136116      1.723537      2.422392
  N      -7.437267      1.702337      1.124735
  C      -6.360297      1.717136      0.280263
  C      -6.617140      1.694786     -1.114391
  C      -5.584124      1.711639     -2.030713
  C      -4.252686      1.761243     -1.578306
  C      -3.972569      1.789119     -0.220707
  C      -5.002263      1.760995      0.748179
  C      -4.135148     -0.309059      6.503888
  C      -5.216893     -0.065677      7.552602
  O      -5.854584      1.216213      7.322554
  C      -7.062640      1.164899      6.720631
  O      -7.622217      0.129181      6.400566
  C      -7.655612      2.543108      6.534679
  N      -7.034905      3.541245      7.148750
  C      -7.577011      4.776622      7.029296
  N      -8.676568      5.109449      6.383411
  C      -9.321957      4.100528      5.731821
  C     -10.492819      4.413782      4.995556
  C     -11.167554      3.425597      4.314875
  C     -10.701461      2.090320      4.350475
  C      -9.569014      1.750731      5.058943
  C      -8.844611      2.745826      5.767827
  H      -3.337559      4.121225      8.471350
  H      -4.272087      3.309028      7.204905
  H      -2.956647      5.977725      6.542214
  H      -4.482950      5.890337      7.491099
  H      -8.485129      5.358692      3.215597
  H      -6.686650      5.067201     -0.976060
  H      -4.365669      5.032346     -1.910961
  H      -2.407997      5.153136     -0.375647
  H      -2.732684      5.343083      2.064854
  H      -2.287103     -0.500711      3.612237
  H      -0.614072     -0.829690      3.135933
  H      -1.990168      0.096637      1.299382
  H      -0.598902      1.167501      1.665746
  H      -7.992278      1.729093      3.107609
  H      -7.662599      1.667345     -1.426042
  H      -5.798827      1.692642     -3.100785
  H      -3.432128      1.786218     -2.297640
  H      -2.939296      1.859250      0.104212
  H      -4.547813     -0.050354      5.518002
  H      -3.908944     -1.394288      6.495887
  H      -5.974704     -0.858635      7.516488
  H      -4.797269      0.000200      8.565714
  H      -7.037079      5.581739      7.536001
  H     -10.821769      5.453094      4.984039
  H     -12.063082      3.670168      3.740066
  H     -11.240908      1.318104      3.800638
  H      -9.216198      0.723308      5.080637
  N      -1.000458      3.788454      4.063576
  H      -1.240443      3.426526      3.136131
  H       0.003451      3.964886      4.103909
  H      -1.496497      4.673754      4.202872
99
Coordinates from ORCA-job orca E -6653.015695306000
  N      -2.211301      3.441105      6.861260
  Mo     -2.158121      1.863250      5.589128
  N      -2.924635      0.447249      6.730036
  C      -2.068715     -0.143026      7.767859
  C      -1.009454      0.860153      8.213049
  N      -0.404076      1.511263      7.013603
  C       0.136082      2.867866      7.301464
  C      -1.016749      3.836482      7.591815
  C       0.609345      0.633840      6.354413
  C       0.514462      0.791838      4.832909
  N      -0.894176      0.779105      4.476959
  H      -0.679575      4.864539      7.348274
  H      -1.241184      3.845701      8.678151
  H       0.680938      3.181393      6.401076
  H       0.853620      2.837077      8.140537
  H       1.056202     -0.038866      4.347275
  H       1.015825      1.728061      4.515224
  H       0.362177     -0.403951      6.614034
  H       1.617070      0.859972      6.742185
  H      -2.655804     -0.446342      8.653297
  H      -1.594349     -1.068415      7.377639
  H      -1.488188      1.651217      8.803605
  H      -0.229874      0.382453      8.831108
  C      -3.434126      4.036950      7.372444
  C      -3.821438      5.373460      6.734861
  O      -4.631041      5.136903      5.562738
  C      -4.180112      5.536269      4.365944
  O      -3.082282      6.053716      4.176650
  C      -5.216637      5.329872      3.299366
  N      -6.476501      5.234152      3.720660
  C      -7.440838      5.139965      2.779157
  N      -7.280638      5.111582      1.465989
  C      -5.992095      5.165175      1.015620
  C      -5.761725      5.101912     -0.380802
  C      -4.477462      5.160136     -0.876216
  C      -3.379034      5.276790      0.007167
  C      -3.567172      5.339110      1.372133
  C      -4.877640      5.292329      1.914365
  C      -1.341087      0.004216      3.332307
  C      -1.556821      0.810311      2.051004
  O      -2.414191      1.964449      2.220905
  C      -3.610264      1.800501      2.900802
  O      -3.556256      1.854214      4.206090
  C      -4.850671      1.728141      2.218838
  N      -5.954350      1.662451      3.022621
  C      -7.149725      1.626140      2.434852
  N      -7.449166      1.634331      1.136826
  C      -6.372324      1.692026      0.295659
  C      -6.624461      1.702130     -1.099893
  C      -5.588738      1.764884     -2.010889
  C      -4.259976      1.831024     -1.552202
  C      -3.984941      1.830006     -0.193589
  C      -5.017373      1.751611      0.769011
  C      -4.151466     -0.315102      6.512785
  C      -5.222189     -0.078836      7.575857
  O      -5.857478      1.208372      7.366966
  C      -7.063317      1.167663      6.757390
  O      -7.616119      0.137632      6.408735
  C      -7.650472      2.550295      6.577826
  N      -7.028971      3.540707      7.203792
  C      -7.560388      4.780669      7.085137
  N      -8.649567      5.126361      6.429896
  C      -9.297223      4.126487      5.768297
  C     -10.457930      4.455103      5.024039
  C     -11.134795      3.478771      4.328105
  C     -10.681833      2.139047      4.357940
  C      -9.559831      1.783978      5.077453
  C      -8.832125      2.767538      5.800823
  H      -3.335422      4.203549      8.464363
  H      -4.287598      3.352407      7.236507
  H      -2.943549      5.976047      6.466323
  H      -4.468213      5.940915      7.419454
  H      -8.469721      5.099478      3.157451
  H      -6.629662      4.993002     -1.031279
  H      -4.303153      5.102821     -1.950998
  H      -2.365213      5.304610     -0.396979
  H      -2.715957      5.430956      2.044560
  H      -2.297366     -0.493540      3.575622
  H      -0.619534     -0.802087      3.102153
  H      -1.980135      0.144811      1.275862
  H      -0.611665      1.232080      1.677643
  H      -8.004335      1.589211      3.116575
  H      -7.668156      1.662082     -1.415757
  H      -5.798969      1.769543     -3.082214
  H      -3.438173      1.893849     -2.267986
  H      -2.954939      1.919254      0.138497
  H      -4.574357     -0.050617      5.532803
  H      -3.923137     -1.399797      6.494958
  H      -5.984728     -0.867541      7.541298
  H      -4.789833     -0.026433      8.584356
  H      -7.019559      5.578937      7.600623
  H     -10.775087      5.497564      5.016112
  H     -12.021801      3.736309      3.746458
  H     -11.223314      1.375755      3.797506
  H      -9.218895      0.752749      5.099232
  N      -1.026551      3.791988      4.074633
  H      -1.279553      3.425742      3.152204
  H      -0.024224      3.980876      4.097004
  H      -1.532044      4.673945      4.210283
99
Coordinates from ORCA-job orca E -6653.016243534169
  N      -2.232105      3.432214      6.892265
  Mo     -2.163747      1.873233      5.597381
  N      -2.935255      0.438642      6.711179
  C      -2.081967     -0.166993      7.741302
  C      -1.028789      0.833102      8.208620
  N      -0.420182      1.504190      7.021203
  C       0.116056      2.857909      7.330538
  C      -1.039559      3.818628      7.631970
  C       0.599915      0.639378      6.354945
  C       0.511058      0.817016      4.835656
  N      -0.895911      0.800974      4.472552
  H      -0.704897      4.851246      7.405306
  H      -1.266986      3.810449      8.717574
  H       0.661695      3.185773      6.435805
  H       0.831379      2.815963      8.170855
  H       1.059490     -0.005035      4.342601
  H       1.009846      1.759523      4.532397
  H       0.356354     -0.402633      6.600332
  H       1.604788      0.865772      6.749735
  H      -2.671433     -0.489252      8.618390
  H      -1.601712     -1.083374      7.336785
  H      -1.514339      1.613636      8.807541
  H      -0.250026      0.349871      8.823255
  C      -3.450668      4.041848      7.395597
  C      -3.833816      5.361894      6.723301
  O      -4.643439      5.093273      5.559050
  C      -4.199455      5.481546      4.354405
  O      -3.107676      6.010306      4.158709
  C      -5.232770      5.253140      3.292244
  N      -6.486601      5.105536      3.719309
  C      -7.453336      5.001182      2.782690
  N      -7.303582      5.010002      1.467758
  C      -6.020440      5.110564      1.010251
  C      -5.800244      5.085208     -0.388359
  C      -4.522695      5.191200     -0.893121
  C      -3.421069      5.321365     -0.015797
  C      -3.599511      5.349070      1.351813
  C      -4.903040      5.252426      1.904078
  C      -1.325307      0.056292      3.302888
  C      -1.530345      0.893855      2.040398
  O      -2.412570      2.027816      2.228295
  C      -3.604440      1.825018      2.903039
  O      -3.552663      1.871321      4.207299
  C      -4.841032      1.701834      2.218749
  N      -5.941362      1.587910      3.021470
  C      -7.134456      1.503337      2.432560
  N      -7.431131      1.501012      1.134035
  C      -6.356316      1.597365      0.293835
  C      -6.606177      1.586010     -1.102012
  C      -5.571701      1.679353     -2.011734
  C      -4.247251      1.800086     -1.551763
  C      -3.974718      1.822148     -0.193015
  C      -5.005309      1.712554      0.768695
  C      -4.163959     -0.314409      6.476414
  C      -5.237074     -0.096496      7.540721
  O      -5.859644      1.201333      7.363158
  C      -7.053172      1.190230      6.729615
  O      -7.609961      0.175854      6.343420
  C      -7.627834      2.582988      6.590352
  N      -6.999675      3.548242      7.248043
  C      -7.514646      4.797550      7.159394
  N      -8.591184      5.176180      6.501059
  C      -9.246775      4.202066      5.809024
  C     -10.396614      4.564265      5.063241
  C     -11.081447      3.613984      4.339551
  C     -10.649211      2.267267      4.343575
  C      -9.539086      1.879755      5.064004
  C      -8.802245      2.835793      5.813667
  H      -3.345873      4.237160      8.481869
  H      -4.306699      3.356350      7.282261
  H      -2.952676      5.951471      6.437588
  H      -4.475818      5.951959      7.393257
  H      -8.477868      4.918923      3.165753
  H      -6.670794      4.964976     -1.033417
  H      -4.356190      5.159945     -1.970231
  H      -2.411398      5.388202     -0.426150
  H      -2.745967      5.453416      2.019330
  H      -2.282049     -0.452933      3.519848
  H      -0.596455     -0.739332      3.058356
  H      -1.928605      0.243441      1.239563
  H      -0.586939      1.342928      1.695807
  H      -7.988201      1.427688      3.112949
  H      -7.647024      1.502987     -1.418859
  H      -5.779573      1.665752     -3.083435
  H      -3.427416      1.888326     -2.267088
  H      -2.949950      1.956070      0.139676
  H      -4.582914     -0.028659      5.500764
  H      -3.939251     -1.399343      6.437630
  H      -6.005514     -0.878214      7.482586
  H      -4.809538     -0.073403      8.552296
  H      -6.970248      5.573573      7.704766
  H     -10.698045      5.611053      5.074191
  H     -11.959478      3.897921      3.756496
  H     -11.197053      1.524977      3.761710
  H      -9.214431      0.843021      5.067805
  N      -1.028269      3.824496      4.111678
  H      -1.282162      3.465972      3.185832
  H      -0.027802      4.024260      4.128778
  H      -1.541939      4.701583      4.249925
99
Coordinates from ORCA-job orca E -6653.017016243312
  N      -2.290111      3.419791      6.911112
  Mo     -2.186645      1.888487      5.595138
  N      -2.951374      0.428143      6.679024
  C      -2.098556     -0.183407      7.705818
  C      -1.062077      0.823038      8.199396
  N      -0.451414      1.517735      7.026088
  C       0.068220      2.873877      7.352861
  C      -1.100228      3.818934      7.655056
  C       0.585952      0.673190      6.360605
  C       0.508896      0.873967      4.844929
  N      -0.893769      0.843191      4.466678
  H      -0.782238      4.856931      7.431556
  H      -1.330632      3.802689      8.739477
  H       0.615793      3.215767      6.464553
  H       0.777455      2.830504      8.198180
  H       1.075138      0.069287      4.343347
  H       0.996882      1.829005      4.563427
  H       0.352401     -0.374774      6.589182
  H       1.583985      0.906674      6.768327
  H      -2.690363     -0.528789      8.572369
  H      -1.602725     -1.087581      7.291899
  H      -1.563772      1.588826      8.804090
  H      -0.282522      0.341607      8.814392
  C      -3.512950      4.015438      7.422095
  C      -3.911280      5.318906      6.727825
  O      -4.700708      5.020267      5.554918
  C      -4.266020      5.431059      4.349296
  O      -3.183419      5.978930      4.155408
  C      -5.281916      5.157284      3.280948
  N      -6.527079      4.956421      3.712350
  C      -7.493418      4.824066      2.779866
  N      -7.355509      4.852335      1.465395
  C      -6.080994      4.999974      1.000251
  C      -5.875121      4.991536     -0.399023
  C      -4.608340      5.146597     -0.916012
  C      -3.503512      5.311461     -0.048757
  C      -3.668474      5.323074      1.321395
  C      -4.960678      5.175436      1.888118
  C      -1.290832      0.115389      3.277459
  C      -1.486863      0.974741      2.027479
  O      -2.408367      2.081117      2.214299
  C      -3.596214      1.832948      2.876815
  O      -3.551605      1.866453      4.180328
  C      -4.824737      1.655890      2.184568
  N      -5.920466      1.481147      2.984264
  C      -7.107567      1.335266      2.390730
  N      -7.395132      1.321517      1.091033
  C      -6.322431      1.468917      0.253759
  C      -6.565369      1.435936     -1.142148
  C      -5.533082      1.578414     -2.048921
  C      -4.219094      1.772039     -1.584926
  C      -3.953553      1.814305     -0.224924
  C      -4.981018      1.654436      0.733452
  C      -4.174749     -0.324201      6.423364
  C      -5.248269     -0.147445      7.494932
  O      -5.871868      1.157775      7.395693
  C      -7.042550      1.203631      6.724287
  O      -7.589772      0.228427      6.237749
  C      -7.602000      2.609018      6.688577
  N      -6.998402      3.499665      7.463764
  C      -7.487937      4.762170      7.460164
  N      -8.505039      5.226212      6.762117
  C      -9.135752      4.329009      5.951124
  C     -10.219036      4.781356      5.155851
  C     -10.878363      3.906962      4.321145
  C     -10.488733      2.549238      4.259396
  C      -9.442577      2.075801      5.021127
  C      -8.729022      2.952041      5.879449
  H      -3.400121      4.230193      8.503423
  H      -4.359358      3.315249      7.330158
  H      -3.034659      5.916636      6.446566
  H      -4.568762      5.909500      7.383159
  H      -8.509477      4.697649      3.164659
  H      -6.748343      4.844210     -1.035453
  H      -4.451973      5.120929     -1.994843
  H      -2.500612      5.419459     -0.467613
  H      -2.813911      5.456244      1.979622
  H      -2.240725     -0.417540      3.464475
  H      -0.540772     -0.658617      3.026913
  H      -1.845716      0.331589      1.202701
  H      -0.548811      1.458725      1.718569
  H      -7.960631      1.209777      3.067558
  H      -7.599126      1.296260     -1.462763
  H      -5.735247      1.546997     -3.121213
  H      -3.402638      1.902111     -2.297447
  H      -2.940014      2.009375      0.109885
  H      -4.591563     -0.013965      5.454351
  H      -3.946016     -1.407009      6.355687
  H      -6.016963     -0.925452      7.398716
  H      -4.820907     -0.173181      8.506267
  H      -6.971746      5.470993      8.115650
  H     -10.486980      5.835262      5.212048
  H     -11.702554      4.261510      3.699077
  H     -11.015240      1.869164      3.588727
  H      -9.147744      1.030964      4.972910
  N      -1.057483      3.870063      4.136980
  H      -1.305304      3.519499      3.205169
  H      -0.060444      4.088536      4.142052
  H      -1.582752      4.740694      4.270052
99
Coordinates from ORCA-job orca E -6653.017270814296
  N      -2.253594      3.423234      6.903369
  Mo     -2.183393      1.896339      5.583846
  N      -2.963494      0.449012      6.676160
  C      -2.112404     -0.173873      7.699011
  C      -1.054413      0.813769      8.182916
  N      -0.440774      1.498107      7.005819
  C       0.100597      2.846867      7.330032
  C      -1.053701      3.807237      7.641813
  C       0.578396      0.637919      6.332071
  C       0.496538      0.844391      4.817009
  N      -0.908682      0.838151      4.446215
  H      -0.725708      4.842533      7.418762
  H      -1.278050      3.789717      8.727919
  H       0.647162      3.181653      6.438360
  H       0.815380      2.793616      8.170529
  H       1.047092      0.033338      4.308523
  H       0.998618      1.792664      4.536796
  H       0.327520     -0.406591      6.558460
  H       1.582451      0.852083      6.735811
  H      -2.702650     -0.506277      8.571574
  H      -1.635954     -1.087684      7.283846
  H      -1.537134      1.587400      8.793009
  H      -0.279102      0.317582      8.791497
  C      -3.472183      4.022445      7.422063
  C      -3.885653      5.325382      6.739812
  O      -4.671055      5.018912      5.565894
  C      -4.247764      5.460570      4.369330
  O      -3.183356      6.043134      4.183036
  C      -5.250494      5.162117      3.292508
  N      -6.490409      4.912723      3.710662
  C      -7.442019      4.749044      2.765232
  N      -7.288563      4.794988      1.453271
  C      -6.016733      5.005421      1.003054
  C      -5.793478      5.031397     -0.394019
  C      -4.528243      5.253298     -0.891050
  C      -3.441989      5.453193     -0.008052
  C      -3.622896      5.430523      1.359290
  C      -4.914823      5.212283      1.905490
  C      -1.323383      0.118379      3.256838
  C      -1.508723      0.982286      2.008952
  O      -2.415652      2.097569      2.203639
  C      -3.605529      1.856219      2.868266
  O      -3.558828      1.892806      4.174012
  C      -4.830388      1.675917      2.175748
  N      -5.927755      1.514780      2.973466
  C      -7.109280      1.349814      2.376410
  N      -7.392258      1.306089      1.076735
  C      -6.316782      1.444392      0.241459
  C      -6.552479      1.380853     -1.154165
  C      -5.516547      1.509534     -2.059144
  C      -4.206256      1.719892     -1.592732
  C      -3.948485      1.791882     -0.231790
  C      -4.979746      1.646945      0.724098
  C      -4.198501     -0.295121      6.440111
  C      -5.260782     -0.098142      7.521421
  O      -5.886216      1.206220      7.415081
  C      -7.072353      1.229638      6.766809
  O      -7.629772      0.235748      6.333812
  C      -7.644529      2.629784      6.698329
  N      -7.033141      3.553445      7.428068
  C      -7.534984      4.811110      7.388361
  N      -8.565949      5.242187      6.691074
  C      -9.206443      4.311722      5.928836
  C     -10.307931      4.729211      5.141903
  C     -10.985386      3.819522      4.359287
  C     -10.591060      2.461000      4.340021
  C      -9.523645      2.022407      5.095835
  C      -8.793567      2.935184      5.902296
  H      -3.352524      4.232923      8.503379
  H      -4.315745      3.319082      7.331666
  H      -3.020345      5.939588      6.460060
  H      -4.550007      5.900135      7.400384
  H      -8.457215      4.576755      3.138036
  H      -6.650546      4.857210     -1.044741
  H      -4.357653      5.254379     -1.968258
  H      -2.441963      5.617971     -0.413001
  H      -2.783909      5.594310      2.031619
  H      -2.281221     -0.398321      3.447941
  H      -0.588039     -0.668204      3.001599
  H      -1.875672      0.346250      1.182156
  H      -0.564614      1.455594      1.701592
  H      -7.962207      1.237492      3.052503
  H      -7.583465      1.227671     -1.477631
  H      -5.713316      1.453575     -3.131779
  H      -3.386254      1.839090     -2.303329
  H      -2.936990      1.997142      0.103434
  H      -4.623395      0.005876      5.471607
  H      -3.978796     -1.380653      6.383454
  H      -6.035101     -0.872669      7.443136
  H      -4.819956     -0.114218      8.527000
  H      -7.016372      5.547757      8.009484
  H     -10.575797      5.785366      5.162086
  H     -11.824732      4.147022      3.743529
  H     -11.130408      1.753220      3.708931
  H      -9.225117      0.977917      5.082865
  N      -1.027498      3.870004      4.128756
  H      -1.277962      3.531301      3.193207
  H      -0.026557      4.071456      4.135616
  H      -1.533428      4.750959      4.271416
99
Coordinates from ORCA-job orca E -6653.017964305670
  N      -2.243254      3.420387      6.927979
  Mo     -2.178932      1.898500      5.601823
  N      -2.963785      0.451294      6.686295
  C      -2.114531     -0.182677      7.703057
  C      -1.051411      0.798083      8.190915
  N      -0.436243      1.488049      7.016954
  C       0.107419      2.833996      7.349183
  C      -1.044001      3.794930      7.670072
  C       0.579308      0.629750      6.335567
  C       0.495962      0.846121      4.821473
  N      -0.910311      0.844047      4.453787
  H      -0.711740      4.831003      7.456235
  H      -1.268581      3.768989      8.755962
  H       0.652841      3.174062      6.458818
  H       0.824253      2.774106      8.187422
  H       1.044138      0.037184      4.307127
  H       0.999701      1.795080      4.546044
  H       0.325329     -0.415568      6.555029
  H       1.584302      0.837838      6.739953
  H      -2.704539     -0.518656      8.574439
  H      -1.642122     -1.094882      7.280205
  H      -1.529465      1.569437      8.807308
  H      -0.277458      0.294279      8.794817
  C      -3.464235      4.026033      7.434944
  C      -3.870970      5.317313      6.725274
  O      -4.646876      4.988436      5.549873
  C      -4.223552      5.423508      4.350840
  O      -3.167361      6.020833      4.164446
  C      -5.222357      5.105056      3.272802
  N      -6.454361      4.824480      3.691828
  C      -7.401571      4.632073      2.747383
  N      -7.251214      4.681977      1.436066
  C      -5.987915      4.930623      0.983829
  C      -5.769709      4.964596     -0.414520
  C      -4.512813      5.224963     -0.914244
  C      -3.430135      5.450767     -0.033651
  C      -3.606130      5.418841      1.334342
  C      -4.890360      5.164954      1.883819
  C      -1.328779      0.146398      3.250335
  C      -1.514861      1.029216      2.014244
  O      -2.432289      2.133749      2.225868
  C      -3.615625      1.863265      2.895707
  O      -3.560321      1.902367      4.199066
  C      -4.843238      1.648834      2.218352
  N      -5.921041      1.419589      3.028425
  C      -7.104207      1.213445      2.445754
  N      -7.406842      1.195559      1.149471
  C      -6.353948      1.413787      0.302575
  C      -6.612797      1.393114     -1.090482
  C      -5.601215      1.604491     -2.007019
  C      -4.293693      1.859731     -1.554987
  C      -4.014192      1.893243     -0.197085
  C      -5.018574      1.660818      0.769572
  C      -4.201814     -0.279807      6.434832
  C      -5.275792     -0.084609      7.501164
  O      -5.881142      1.227027      7.383331
  C      -7.058871      1.260080      6.723184
  O      -7.618724      0.271015      6.282475
  C      -7.620709      2.663239      6.648021
  N      -7.014807      3.586245      7.382797
  C      -7.521067      4.842184      7.343894
  N      -8.551948      5.270927      6.642868
  C      -9.187788      4.338832      5.877749
  C     -10.297540      4.747842      5.097132
  C     -10.975839      3.831329      4.322852
  C     -10.571108      2.475743      4.301835
  C      -9.495114      2.046458      5.049259
  C      -8.767023      2.965414      5.849545
  H      -3.350197      4.252321      8.513622
  H      -4.307933      3.321556      7.352386
  H      -3.003186      5.926308      6.440793
  H      -4.542421      5.905872      7.367027
  H      -8.409837      4.433281      3.121843
  H      -6.623301      4.770045     -1.063637
  H      -4.346205      5.240653     -1.992089
  H      -2.436689      5.645727     -0.441533
  H      -2.769269      5.600131      2.004071
  H      -2.289933     -0.367137      3.434163
  H      -0.598412     -0.640996      2.983983
  H      -1.874203      0.403722      1.176217
  H      -0.572710      1.513702      1.717524
  H      -7.941128      1.040401      3.133162
  H      -7.641388      1.204897     -1.402504
  H      -5.815665      1.580784     -3.077487
  H      -3.493732      2.045919     -2.274116
  H      -3.007152      2.134609      0.128445
  H      -4.614140      0.035078      5.465066
  H      -3.991190     -1.366690      6.370542
  H      -6.054448     -0.852417      7.403269
  H      -4.854960     -0.110306      8.515224
  H      -7.011076      5.577277      7.974850
  H     -10.575827      5.801444      5.120099
  H     -11.823354      4.151272      3.714540
  H     -11.112250      1.762259      3.678747
  H      -9.190974      1.003607      5.038527
  N      -1.023907      3.883303      4.162086
  H      -1.274728      3.548672      3.225730
  H      -0.023240      4.087060      4.172935
  H      -1.531068      4.762187      4.311911
99
Coordinates from ORCA-job orca E -6653.018253379485
  N      -2.245298      3.409715      6.943463
  Mo     -2.174732      1.894211      5.612947
  N      -2.963823      0.445085      6.689226
  C      -2.118187     -0.190486      7.707516
  C      -1.056385      0.789307      8.201352
  N      -0.436007      1.482222      7.031508
  C       0.104716      2.827644      7.367856
  C      -1.047709      3.787851      7.684847
  C       0.582350      0.627663      6.351218
  C       0.505552      0.852036      4.838240
  N      -0.898675      0.846508      4.464504
  H      -0.716928      4.823275      7.466809
  H      -1.273365      3.765277      8.770195
  H       0.654000      3.169010      6.480546
  H       0.817667      2.767217      8.208990
  H       1.058958      0.047949      4.321952
  H       1.007359      1.804157      4.570161
  H       0.327524     -0.418788      6.564195
  H       1.585342      0.834211      6.761313
  H      -2.711116     -0.528755      8.576114
  H      -1.643762     -1.101483      7.284283
  H      -1.536590      1.559308      8.817719
  H      -0.284929      0.283720      8.807049
  C      -3.466077      4.019348      7.448599
  C      -3.891565      5.288354      6.712438
  O      -4.661260      4.924671      5.543012
  C      -4.258520      5.365802      4.339845
  O      -3.222522      5.995168      4.145714
  C      -5.266987      5.034424      3.273866
  N      -6.482089      4.705647      3.708714
  C      -7.441348      4.506899      2.777098
  N      -7.320888      4.608667      1.465601
  C      -6.074194      4.908176      0.996053
  C      -5.887025      4.996021     -0.404288
  C      -4.644127      5.291045     -0.920573
  C      -3.546481      5.502935     -0.055240
  C      -3.694794      5.427266      1.315368
  C      -4.963523      5.136848      1.880928
  C      -1.303266      0.157632      3.251984
  C      -1.486003      1.048908      2.022326
  O      -2.421075      2.139414      2.231383
  C      -3.599689      1.847852      2.900271
  O      -3.548383      1.887608      4.203189
  C      -4.820706      1.602857      2.223223
  N      -5.892223      1.349403      3.033653
  C      -7.069896      1.115497      2.450695
  N      -7.371118      1.086301      1.154690
  C      -6.323941      1.331798      0.307152
  C      -6.581845      1.310697     -1.085988
  C      -5.575717      1.554389     -2.001192
  C      -4.275751      1.843908     -1.547757
  C      -3.997764      1.879896     -0.189879
  C      -4.996084      1.615033      0.774797
  C      -4.198730     -0.286051      6.422554
  C      -5.284186     -0.092544      7.477005
  O      -5.880389      1.224794      7.362614
  C      -7.043527      1.283625      6.676473
  O      -7.595402      0.313615      6.185433
  C      -7.592109      2.693911      6.631831
  N      -7.005268      3.579632      7.425704
  C      -7.503647      4.839034      7.427972
  N      -8.509035      5.305610      6.715397
  C      -9.128395      4.412378      5.892314
  C     -10.219412      4.861777      5.107226
  C     -10.883857      3.984639      4.277873
  C     -10.483355      2.629722      4.203765
  C      -9.424710      2.161698      4.953322
  C      -8.712488      3.038859      5.812545
  H      -3.341378      4.272829      8.519872
  H      -4.304912      3.306231      7.393225
  H      -3.033295      5.905699      6.416670
  H      -4.573191      5.879036      7.341475
  H      -8.432423      4.252459      3.163968
  H      -6.749996      4.805902     -1.042410
  H      -4.500230      5.344722     -1.999894
  H      -2.564108      5.725334     -0.476910
  H      -2.846462      5.595995      1.974989
  H      -2.262892     -0.362792      3.423925
  H      -0.566346     -0.623097      2.985095
  H      -1.826689      0.426209      1.174542
  H      -0.546596      1.548162      1.741403
  H      -7.902129      0.928535      3.138566
  H      -7.604781      1.096745     -1.399658
  H      -5.789375      1.530242     -3.071382
  H      -3.481430      2.055909     -2.265340
  H      -2.997706      2.148234      0.137219
  H      -4.600083      0.030701      5.448480
  H      -3.988131     -1.372979      6.358770
  H      -6.065151     -0.855660      7.364175
  H      -4.875697     -0.128241      8.496071
  H      -7.013177      5.540468      8.110815
  H     -10.499429      5.913034      5.177485
  H     -11.718826      4.335518      3.668220
  H     -11.014567      1.947674      3.538566
  H      -9.126215      1.118562      4.903877
  N      -1.031157      3.888654      4.177521
  H      -1.283650      3.555089      3.241050
  H      -0.031756      4.099526      4.182952
  H      -1.542928      4.765150      4.326571
99
Coordinates from ORCA-job orca E -6653.018512493139
  N      -2.263193      3.409316      6.931135
  Mo     -2.190323      1.890337      5.607542
  N      -2.971928      0.442605      6.690355
  C      -2.123376     -0.184158      7.711975
  C      -1.064646      0.800364      8.201383
  N      -0.445987      1.491172      7.031036
  C       0.087326      2.839181      7.362816
  C      -1.069167      3.797771      7.671580
  C       0.575836      0.639942      6.354529
  C       0.501434      0.865658      4.842503
  N      -0.901292      0.853583      4.466181
  H      -0.740756      4.832214      7.443209
  H      -1.296867      3.784899      8.757257
  H       0.638361      3.178351      6.475512
  H       0.798589      2.785860      8.206435
  H       1.060317      0.065821      4.325641
  H       0.998307      1.821020      4.577153
  H       0.323058     -0.407301      6.565952
  H       1.577330      0.848185      6.767334
  H      -2.715331     -0.518472      8.582885
  H      -1.646854     -1.096373      7.293828
  H      -1.546309      1.570751      8.816086
  H      -0.292190      0.298110      8.808692
  C      -3.488578      4.015220      7.432809
  C      -3.901792      5.284676      6.691169
  O      -4.650373      4.931183      5.503133
  C      -4.230469      5.376462      4.306964
  O      -3.183479      5.990033      4.123730
  C      -5.237430      5.060373      3.231494
  N      -6.456564      4.749849      3.663148
  C      -7.414607      4.555042      2.728850
  N      -7.291675      4.655309      1.419459
  C      -6.040890      4.936989      0.951465
  C      -5.851326      5.016768     -0.448612
  C      -4.601197      5.280348     -0.964029
  C      -3.499997      5.471222     -0.098729
  C      -3.651764      5.408042      1.271937
  C      -4.927499      5.149260      1.837091
  C      -1.298222      0.157979      3.254977
  C      -1.483535      1.049339      2.025183
  O      -2.423982      2.136085      2.228882
  C      -3.603885      1.831274      2.888889
  O      -3.561449      1.867965      4.193430
  C      -4.818113      1.586746      2.200408
  N      -5.898558      1.330731      2.998511
  C      -7.069417      1.099561      2.401022
  N      -7.355156      1.069156      1.101690
  C      -6.300134      1.324699      0.266681
  C      -6.543906      1.317565     -1.128580
  C      -5.531035      1.581526     -2.031020
  C      -4.237990      1.875914     -1.561408
  C      -3.973556      1.896667     -0.200260
  C      -4.979607      1.612144      0.750540
  C      -4.199460     -0.302798      6.429664
  C      -5.274693     -0.107144      7.494405
  O      -5.894502      1.200173      7.382326
  C      -7.081567      1.246788      6.736485
  O      -7.650026      0.271808      6.276434
  C      -7.627275      2.657535      6.696945
  N      -7.011717      3.539931      7.471665
  C      -7.488935      4.807018      7.473049
  N      -8.496871      5.285414      6.771464
  C      -9.145515      4.396344      5.965822
  C     -10.234384      4.861941      5.187149
  C     -10.925021      3.992426      4.372147
  C     -10.553393      2.629682      4.305199
  C      -9.495116      2.145641      5.046090
  C      -8.756449      3.013891      5.892686
  H      -3.369189      4.267858      8.504875
  H      -4.328755      3.303190      7.373149
  H      -3.037679      5.902896      6.415535
  H      -4.597349      5.873899      7.307176
  H      -8.403873      4.300438      3.112512
  H      -6.716552      4.838938     -1.087845
  H      -4.453963      5.324633     -2.044339
  H      -2.513028      5.668203     -0.520810
  H      -2.801773      5.560287      1.931201
  H      -2.254886     -0.368094      3.426513
  H      -0.555830     -0.619209      2.992561
  H      -1.818262      0.424731      1.176674
  H      -0.545582      1.552439      1.747038
  H      -7.909263      0.912464      3.079547
  H      -7.562093      1.100144     -1.455706
  H      -5.734794      1.569335     -3.103718
  H      -3.437981      2.102820     -2.268483
  H      -2.978450      2.167035      0.139914
  H      -4.607228      0.000554      5.453966
  H      -3.981602     -1.388585      6.375581
  H      -6.047537     -0.880738      7.401612
  H      -4.848964     -0.126139      8.506794
  H      -6.971677      5.505933      8.138656
  H     -10.493994      5.918207      5.253331
  H     -11.758811      4.355078      3.768792
  H     -11.105291      1.953630      3.650466
  H      -9.217063      1.097346      4.998104
  N      -1.066216      3.887015      4.168186
  H      -1.315803      3.553727      3.231631
  H      -0.067236      4.098156      4.175758
  H      -1.578621      4.762071      4.319582
99
Coordinates from ORCA-job orca E -6653.018894840288
  N      -2.235457      3.412060      6.948008
  Mo     -2.186887      1.902385      5.612191
  N      -2.984399      0.456138      6.686842
  C      -2.140493     -0.192343      7.698494
  C      -1.067334      0.773028      8.192928
  N      -0.445227      1.466496      7.026021
  C       0.107427      2.805383      7.369435
  C      -1.036082      3.775516      7.692633
  C       0.562607      0.607483      6.336944
  C       0.486038      0.845846      4.826376
  N      -0.918953      0.855309      4.454462
  H      -0.694491      4.808842      7.478371
  H      -1.261827      3.750855      8.778475
  H       0.659295      3.147003      6.483505
  H       0.821358      2.734178      8.209521
  H       1.031841      0.041498      4.302475
  H       0.995869      1.795781      4.565719
  H       0.296175     -0.437978      6.540241
  H       1.568437      0.798477      6.747581
  H      -2.733286     -0.527507      8.568523
  H      -1.677909     -1.106298      7.268676
  H      -1.535972      1.544104      8.816768
  H      -0.299032      0.254713      8.791834
  C      -3.454878      4.034982      7.442379
  C      -3.869730      5.297003      6.690435
  O      -4.623720      4.924545      5.512493
  C      -4.230210      5.392447      4.316303
  O      -3.204463      6.041237      4.132014
  C      -5.216656      5.032036      3.237948
  N      -6.420723      4.649452      3.657025
  C      -7.361420      4.418350      2.712920
  N      -7.235382      4.546142      1.405299
  C      -5.997166      4.900447      0.950726
  C      -5.802501      5.016359     -0.446039
  C      -4.565868      5.361160     -0.947073
  C      -3.483639      5.599820     -0.069968
  C      -3.640655      5.501304      1.297988
  C      -4.903798      5.160257      1.847989
  C      -1.328993      0.182501      3.233775
  C      -1.508419      1.088152      2.014613
  O      -2.443568      2.175568      2.235280
  C      -3.619102      1.872253      2.904389
  O      -3.566645      1.908058      4.208152
  C      -4.833363      1.600663      2.226209
  N      -5.896972      1.310166      3.033849
  C      -7.065535      1.043066      2.447337
  N      -7.363097      1.006313      1.150911
  C      -6.324076      1.292885      0.306050
  C      -6.578226      1.269818     -1.087201
  C      -5.578571      1.550522     -1.999027
  C      -4.289298      1.878728     -1.541756
  C      -4.015114      1.916925     -0.183080
  C      -5.006997      1.615322      0.777434
  C      -4.222410     -0.274120      6.427620
  C      -5.291689     -0.075823      7.498040
  O      -5.892837      1.238933      7.388144
  C      -7.083569      1.281056      6.750793
  O      -7.657601      0.298888      6.313834
  C      -7.629522      2.690467      6.682994
  N      -7.012351      3.597648      7.427297
  C      -7.492721      4.863515      7.389209
  N      -8.505882      5.316659      6.678578
  C      -9.155828      4.400502      5.905674
  C     -10.247728      4.837747      5.115787
  C     -10.937414      3.940010      4.329645
  C     -10.560975      2.576257      4.304419
  C      -9.500700      2.120148      5.059499
  C      -8.763269      3.018383      5.875312
  H      -3.330253      4.301396      8.510113
  H      -4.298407      3.325999      7.394638
  H      -3.008854      5.913546      6.401546
  H      -4.560783      5.892086      7.305802
  H      -8.341863      4.112688      3.085909
  H      -6.652327      4.803532     -1.095049
  H      -4.414887      5.436648     -2.025231
  H      -2.506866      5.861302     -0.480654
  H      -2.805718      5.693106      1.967286
  H      -2.292478     -0.332342      3.402253
  H      -0.598899     -0.601787      2.958692
  H      -1.847565      0.476213      1.158586
  H      -0.567984      1.589387      1.741571
  H      -7.889627      0.818706      3.133548
  H      -7.592924      1.024187     -1.405070
  H      -5.790067      1.525389     -3.070099
  H      -3.500348      2.119238     -2.256885
  H      -3.024144      2.212643      0.147570
  H      -4.633893      0.040480      5.457333
  H      -4.013567     -1.361144      6.363672
  H      -6.075342     -0.838780      7.402526
  H      -4.864519     -0.106647      8.509424
  H      -6.971097      5.586344      8.024591
  H     -10.508566      5.895481      5.148778
  H     -11.773289      4.280741      3.716697
  H     -11.110446      1.877941      3.671395
  H      -9.217758      1.071733      5.044063
  N      -1.027624      3.895342      4.186921
  H      -1.285860      3.574558      3.248188
  H      -0.025393      4.090380      4.195329
  H      -1.525180      4.777782      4.345937
99
Coordinates from ORCA-job orca E -6653.019135460601
  N      -2.236640      3.406171      6.962362
  Mo     -2.185731      1.905828      5.618242
  N      -2.982368      0.453034      6.681522
  C      -2.140938     -0.199477      7.692630
  C      -1.068473      0.764224      8.193983
  N      -0.444034      1.464882      7.032073
  C       0.105887      2.802407      7.383075
  C      -1.038841      3.770160      7.708086
  C       0.565569      0.612100      6.339051
  C       0.492546      0.864076      4.830592
  N      -0.911501      0.872619      4.455574
  H      -0.698370      4.803882      7.495154
  H      -1.264925      3.743521      8.793451
  H       0.659719      3.149029      6.500441
  H       0.817672      2.728006      8.224428
  H       1.041904      0.066164      4.300679
  H       1.000348      1.817771      4.579762
  H       0.298616     -0.435193      6.532179
  H       1.570417      0.799417      6.754023
  H      -2.735925     -0.538521      8.559683
  H      -1.676994     -1.111404      7.260087
  H      -1.538090      1.531712      8.821534
  H      -0.301323      0.242449      8.791490
  C      -3.457882      4.025260      7.457765
  C      -3.880062      5.276425      6.693355
  O      -4.623319      4.884176      5.514696
  C      -4.237541      5.356284      4.317536
  O      -3.224199      6.024100      4.132770
  C      -5.222693      4.984266      3.241584
  N      -6.417350      4.577541      3.664189
  C      -7.357928      4.334491      2.722821
  N      -7.242794      4.479611      1.416110
  C      -6.014550      4.862847      0.957491
  C      -5.830938      4.996756     -0.439015
  C      -4.602558      5.364682     -0.944252
  C      -3.518028      5.608323     -0.071855
  C      -3.665409      5.493810      1.296518
  C      -4.919887      5.129617      1.850530
  C      -1.316414      0.204734      3.230079
  C      -1.501881      1.115606      2.015239
  O      -2.447333      2.194247      2.238906
  C      -3.617672      1.875132      2.909807
  O      -3.563229      1.907556      4.212746
  C      -4.828326      1.577012      2.235956
  N      -5.880255      1.254581      3.047743
  C      -7.043777      0.954899      2.465484
  N      -7.345513      0.914320      1.170313
  C      -6.319047      1.235770      0.321623
  C      -6.579287      1.214388     -1.070432
  C      -5.593486      1.533391     -1.985062
  C      -4.312861      1.898844     -1.532115
  C      -4.032579      1.934995     -0.174648
  C      -5.009700      1.594712      0.788217
  C      -4.218727     -0.274207      6.406409
  C      -5.302591     -0.077845      7.462070
  O      -5.893283      1.242006      7.351508
  C      -7.078810      1.301767      6.705963
  O      -7.661891      0.329907      6.257070
  C      -7.611519      2.717295      6.653719
  N      -6.997694      3.606001      7.423106
  C      -7.472444      4.874498      7.407435
  N      -8.479129      5.346032      6.699661
  C      -9.127255      4.448533      5.903312
  C     -10.217890      4.904403      5.121848
  C     -10.907479      4.024769      4.316163
  C     -10.532352      2.661643      4.262114
  C      -9.474039      2.187314      5.008439
  C      -8.737973      3.066241      5.845373
  H      -3.329601      4.303040      8.522096
  H      -4.297916      3.311432      7.421163
  H      -3.023337      5.898541      6.403734
  H      -4.580426      5.870821      7.298554
  H      -8.326825      3.995640      3.097749
  H      -6.681154      4.777536     -1.085124
  H      -4.459771      5.454090     -2.021924
  H      -2.547588      5.888021     -0.486360
  H      -2.829456      5.691563      1.962711
  H      -2.276627     -0.317336      3.395024
  H      -0.581170     -0.573267      2.951789
  H      -1.835130      0.504979      1.155825
  H      -0.564966      1.625701      1.745618
  H      -7.858499      0.705245      3.155052
  H      -7.587386      0.940151     -1.385516
  H      -5.810041      1.510192     -3.054925
  H      -3.536152      2.170274     -2.249229
  H      -3.049744      2.259702      0.153513
  H      -4.617078      0.045904      5.432250
  H      -4.011501     -1.361438      6.340555
  H      -6.088297     -0.836370      7.349542
  H      -4.891634     -0.117014      8.479960
  H      -6.955954      5.580715      8.065679
  H     -10.479591      5.961051      5.179257
  H     -11.742574      4.379568      3.709571
  H     -11.081327      1.978168      3.612891
  H      -9.192517      1.138906      4.970523
  N      -1.036429      3.913454      4.206569
  H      -1.301034      3.604374      3.265482
  H      -0.033313      4.104942      4.211300
  H      -1.530023      4.795694      4.377906
99
Coordinates from ORCA-job orca E -6653.019240358584
  N      -2.228870      3.403361      6.958497
  Mo     -2.186298      1.899214      5.620527
  N      -2.978895      0.450792      6.690931
  C      -2.138708     -0.196851      7.706835
  C      -1.063130      0.766204      8.201888
  N      -0.438031      1.463177      7.038993
  C       0.110360      2.801143      7.387892
  C      -1.035197      3.771229      7.706219
  C       0.569535      0.609673      6.345675
  C       0.499237      0.866419      4.837726
  N      -0.904271      0.877635      4.461008
  H      -0.692267      4.802793      7.487565
  H      -1.263766      3.751602      8.790965
  H       0.668037      3.145536      6.506813
  H       0.819742      2.729712      8.231650
  H       1.048603      0.070398      4.305264
  H       1.007623      1.820733      4.590838
  H       0.298232     -0.437441      6.534149
  H       1.574619      0.790787      6.763127
  H      -2.734922     -0.526650      8.576720
  H      -1.678374     -1.113228      7.280449
  H      -1.528734      1.536172      8.829355
  H      -0.297220      0.242811      8.799749
  C      -3.459118      4.013821      7.446114
  C      -3.889878      5.260817      6.680829
  O      -4.615040      4.863717      5.491355
  C      -4.232078      5.350811      4.300614
  O      -3.226538      6.031347      4.122467
  C      -5.220677      4.984226      3.222347
  N      -6.412386      4.572112      3.644565
  C      -7.352446      4.324036      2.702305
  N      -7.241449      4.485418      1.397586
  C      -6.018938      4.888515      0.939604
  C      -5.841247      5.045107     -0.455678
  C      -4.614558      5.421604     -0.959421
  C      -3.525720      5.648780     -0.088410
  C      -3.668287      5.514324      1.278870
  C      -4.921477      5.143941      1.831158
  C      -1.313591      0.197161      3.242085
  C      -1.511012      1.098168      2.021524
  O      -2.453654      2.178036      2.243534
  C      -3.623393      1.858422      2.916460
  O      -3.569482      1.892236      4.220212
  C      -4.832567      1.556301      2.245362
  N      -5.883489      1.234609      3.058456
  C      -7.045140      0.928296      2.476626
  N      -7.347861      0.881943      1.181885
  C      -6.325002      1.214640      0.332540
  C      -6.588406      1.203577     -1.058704
  C      -5.608072      1.541485     -1.972753
  C      -4.330015      1.915505     -1.519886
  C      -4.046474      1.940920     -0.162653
  C      -5.018068      1.581080      0.798468
  C      -4.211576     -0.285276      6.417131
  C      -5.297548     -0.080492      7.468827
  O      -5.884664      1.239873      7.342515
  C      -7.085857      1.295834      6.725618
  O      -7.685701      0.321483      6.304500
  C      -7.609267      2.714057      6.660054
  N      -6.997526      3.601541      7.432531
  C      -7.466775      4.871860      7.410273
  N      -8.469694      5.344320      6.697991
  C      -9.114788      4.448679      5.897414
  C     -10.198657      4.909407      5.109975
  C     -10.884621      4.033371      4.297591
  C     -10.509640      2.670186      4.240173
  C      -9.454860      2.191539      4.990024
  C      -8.726763      3.066016      5.839596
  H      -3.337856      4.292591      8.511121
  H      -4.293324      3.293350      7.404434
  H      -3.040506      5.898554      6.403201
  H      -4.608016      5.841572      7.278942
  H      -8.311980      3.956773      3.076199
  H      -6.692475      4.834183     -1.103160
  H      -4.476098      5.531023     -2.036184
  H      -2.557133      5.933662     -0.503810
  H      -2.829846      5.701791      1.944714
  H      -2.270433     -0.327140      3.419150
  H      -0.577703     -0.581240      2.967573
  H      -1.851838      0.480055      1.170519
  H      -0.575944      1.605047      1.739014
  H      -7.857740      0.679643      3.168179
  H      -7.594495      0.923311     -1.374814
  H      -5.828134      1.527486     -3.042153
  H      -3.558150      2.202703     -2.236295
  H      -3.065420      2.270527      0.166997
  H      -4.609442      0.024591      5.439195
  H      -4.000038     -1.372089      6.361155
  H      -6.084959     -0.837769      7.361948
  H      -4.887591     -0.111769      8.487620
  H      -6.949209      5.578656      8.066720
  H     -10.460982      5.966309      5.173872
  H     -11.715895      4.390700      3.687519
  H     -11.054011      1.989999      3.583729
  H      -9.170972      1.144278      4.944162
  N      -1.054082      3.911557      4.205718
  H      -1.322685      3.611799      3.263343
  H      -0.048385      4.088438      4.215144
  H      -1.536079      4.796710      4.391366
99
Coordinates from ORCA-job orca E -6653.019343534988
  N      -2.224108      3.405214      6.968582
  Mo     -2.188278      1.905245      5.624278
  N      -2.987758      0.453439      6.685374
  C      -2.151842     -0.201809      7.699527
  C      -1.073930      0.755378      8.200791
  N      -0.445212      1.454343      7.041412
  C       0.110513      2.787712      7.396552
  C      -1.030230      3.761696      7.720482
  C       0.558176      0.598492      6.344917
  C       0.491777      0.864005      4.838595
  N      -0.910881      0.884526      4.458447
  H      -0.680782      4.793381      7.509905
  H      -1.260000      3.735936      8.805389
  H       0.669246      3.133884      6.516651
  H       0.820125      2.708072      8.239605
  H       1.038338      0.067918      4.303282
  H       1.005589      1.816953      4.597974
  H       0.280361     -0.447950      6.527240
  H       1.563768      0.771512      6.764428
  H      -2.751118     -0.533355      8.566630
  H      -1.694074     -1.118032      7.269919
  H      -1.537753      1.524878      8.830167
  H      -0.310480      0.227086      8.797410
  C      -3.450014      4.027515      7.450564
  C      -3.874411      5.264415      6.665107
  O      -4.600448      4.851323      5.481972
  C      -4.226928      5.338929      4.287297
  O      -3.227999      6.029241      4.106774
  C      -5.208243      4.956772      3.209547
  N      -6.389984      4.515690      3.630867
  C      -7.328636      4.259891      2.689836
  N      -7.229851      4.443243      1.387236
  C      -6.016855      4.873378      0.928568
  C      -5.851072      5.052496     -0.465114
  C      -4.633824      5.453507     -0.972271
  C      -3.542984      5.685441     -0.105096
  C      -3.674640      5.531619      1.261153
  C      -4.918304      5.135907      1.817547
  C      -1.318798      0.224527      3.228468
  C      -1.510086      1.147209      2.022938
  O      -2.459124      2.218850      2.260823
  C      -3.625778      1.876937      2.925795
  O      -3.573064      1.906447      4.229120
  C      -4.827732      1.548565      2.251006
  N      -5.872626      1.201592      3.061615
  C      -7.026929      0.870658      2.477517
  N      -7.325447      0.819527      1.182403
  C      -6.307855      1.173974      0.335212
  C      -6.566950      1.154409     -1.056649
  C      -5.591805      1.513090     -1.968268
  C      -4.323967      1.917600     -1.512495
  C      -4.044568      1.951559     -0.154712
  C      -5.010638      1.570373      0.803949
  C      -4.221059     -0.278822      6.404234
  C      -5.307103     -0.080103      7.457170
  O      -5.897241      1.239824      7.339750
  C      -7.107394      1.297975      6.742235
  O      -7.716877      0.325814      6.330913
  C      -7.624766      2.718275      6.679270
  N      -7.005529      3.601606      7.450006
  C      -7.464375      4.875635      7.426688
  N      -8.463923      5.355855      6.714686
  C      -9.115746      4.464479      5.914403
  C     -10.193271      4.933907      5.123086
  C     -10.881808      4.063575      4.306740
  C     -10.518117      2.697297      4.251618
  C      -9.471322      2.209714      5.006557
  C      -8.739308      3.078355      5.858744
  H      -3.324404      4.323857      8.510205
  H      -4.288350      3.311069      7.423349
  H      -3.020874      5.891855      6.377192
  H      -4.588344      5.859745      7.254342
  H      -8.278085      3.869823      3.062240
  H      -6.703671      4.836233     -1.109677
  H      -4.504212      5.577700     -2.048992
  H      -2.581390      5.989736     -0.522114
  H      -2.835207      5.725477      1.923465
  H      -2.277873     -0.300084      3.393304
  H      -0.584157     -0.551323      2.942933
  H      -1.843961      0.543545      1.159085
  H      -0.575912      1.662793      1.754870
  H      -7.835337      0.601348      3.167164
  H      -7.565528      0.850421     -1.375138
  H      -5.808368      1.492131     -3.038425
  H      -3.557699      2.223235     -2.227402
  H      -3.073688      2.306712      0.178035
  H      -4.617461      0.037771      5.427986
  H      -4.010006     -1.365131      6.341532
  H      -6.094092     -0.837129      7.346585
  H      -4.896485     -0.117152      8.475491
  H      -6.938460      5.579413      8.079858
  H     -10.446504      5.993079      5.185386
  H     -11.707260      4.427211      3.692832
  H     -11.064572      2.021403      3.592109
  H      -9.196621      1.160012      4.961823
  N      -1.043512      3.911334      4.211017
  H      -1.314264      3.613743      3.268579
  H      -0.036631      4.078366      4.222689
  H      -1.519233      4.800084      4.394937
99
Coordinates from ORCA-job orca E -6653.019431054497
  N      -2.236250      3.402803      6.967311
  Mo     -2.192903      1.909975      5.615488
  N      -2.988549      0.448768      6.666970
  C      -2.154931     -0.206851      7.682620
  C      -1.082674      0.752749      8.191817
  N      -0.452688      1.458880      7.037734
  C       0.098607      2.792017      7.399677
  C      -1.045688      3.761636      7.722689
  C       0.555688      0.609608      6.340971
  C       0.494903      0.884360      4.836370
  N      -0.905873      0.903011      4.450029
  H      -0.699204      4.794677      7.514913
  H      -1.277633      3.733073      8.806834
  H       0.659739      3.143018      6.523210
  H       0.804932      2.710823      8.245262
  H       1.046109      0.093124      4.298714
  H       1.006528      1.840401      4.603641
  H       0.279710     -0.438574      6.515753
  H       1.559298      0.782524      6.765312
  H      -2.757244     -0.542502      8.546002
  H      -1.692702     -1.120746      7.252853
  H      -1.552118      1.518120      8.822132
  H      -0.319214      0.225491      8.789387
  C      -3.464525      4.015545      7.454992
  C      -3.894352      5.253521      6.674686
  O      -4.611924      4.838453      5.488241
  C      -4.240875      5.336171      4.296384
  O      -3.246803      6.035278      4.121684
  C      -5.211886      4.946631      3.214468
  N      -6.392169      4.494023      3.629385
  C      -7.324181      4.232778      2.684056
  N      -7.222019      4.421034      1.381964
  C      -6.009210      4.858753      0.929577
  C      -5.837478      5.038372     -0.462875
  C      -4.620588      5.447400     -0.964807
  C      -3.536095      5.688770     -0.092080
  C      -3.673841      5.534541      1.273666
  C      -4.916849      5.129645      1.824119
  C      -1.309045      0.231147      3.224971
  C      -1.510810      1.143459      2.013566
  O      -2.462103      2.214785      2.245510
  C      -3.627497      1.880600      2.914690
  O      -3.574100      1.907120      4.218763
  C      -4.828497      1.545107      2.240596
  N      -5.868895      1.186682      3.051828
  C      -7.019591      0.841949      2.467780
  N      -7.316463      0.784755      1.172616
  C      -6.302104      1.147234      0.324829
  C      -6.558740      1.117325     -1.067168
  C      -5.587363      1.486124     -1.978849
  C      -4.326303      1.911280     -1.523250
  C      -4.048588      1.953250     -0.165349
  C      -5.010566      1.561328      0.793421
  C      -4.223395     -0.281040      6.384510
  C      -5.308578     -0.083121      7.438574
  O      -5.891240      1.240728      7.329054
  C      -7.112970      1.306849      6.757749
  O      -7.743913      0.338267      6.370753
  C      -7.618492      2.731343      6.696302
  N      -6.992783      3.610339      7.466961
  C      -7.444397      4.887263      7.444331
  N      -8.440899      5.374069      6.732298
  C      -9.097301      4.486969      5.930801
  C     -10.170381      4.962619      5.136956
  C     -10.863023      4.095913      4.320347
  C     -10.509205      2.727118      4.268549
  C      -9.467955      2.233161      5.026591
  C      -8.730686      3.098452      5.876979
  H      -3.337799      4.309293      8.515152
  H      -4.299948      3.295731      7.427326
  H      -3.043129      5.886960      6.393203
  H      -4.613280      5.842118      7.264453
  H      -8.274129      3.838924      3.052054
  H      -6.685738      4.816243     -1.111306
  H      -4.486583      5.570861     -2.041093
  H      -2.574257      5.999868     -0.503933
  H      -2.839367      5.737523      1.940080
  H      -2.261657     -0.303893      3.393523
  H      -0.565850     -0.537725      2.942770
  H      -1.846975      0.531695      1.156321
  H      -0.580006      1.660241      1.736776
  H      -7.824782      0.562330      3.157167
  H      -7.552616      0.798298     -1.385654
  H      -5.802049      1.457814     -3.049190
  H      -3.564471      2.226798     -2.238584
  H      -3.083981      2.324048      0.168236
  H      -4.620047      0.039236      5.409635
  H      -4.013376     -1.367268      6.318921
  H      -6.100258     -0.834845      7.324177
  H      -4.897855     -0.128572      8.456550
  H      -6.914781      5.587569      8.098379
  H     -10.413733      6.023828      5.194764
  H     -11.684050      4.464211      3.703246
  H     -11.058643      2.054059      3.608762
  H      -9.201833      1.180873      4.984928
  N      -1.057043      3.929013      4.214538
  H      -1.340076      3.648352      3.270788
  H      -0.047871      4.081632      4.219593
  H      -1.521092      4.820284      4.414187
99
Coordinates from ORCA-job orca E -6653.019481995708
  N      -2.228150      3.405386      6.962347
  Mo     -2.186887      1.913671      5.608831
  N      -2.985079      0.451867      6.657218
  C      -2.155902     -0.204709      7.676329
  C      -1.083055      0.753165      8.188257
  N      -0.449000      1.459217      7.036389
  C       0.103875      2.791022      7.400567
  C      -1.040034      3.761623      7.722360
  C       0.558909      0.608627      6.340771
  C       0.503681      0.887906      4.836631
  N      -0.895796      0.912571      4.445794
  H      -0.691473      4.794720      7.518734
  H      -1.275105      3.730505      8.805652
  H       0.667379      3.142274      6.525756
  H       0.808412      2.708106      8.247394
  H       1.054108      0.096888      4.298048
  H       1.018770      1.843211      4.608510
  H       0.278818     -0.439187      6.511546
  H       1.561904      0.776611      6.768789
  H      -2.761730     -0.537869      8.538184
  H      -1.694588     -1.120153      7.249165
  H      -1.552723      1.518627      8.818273
  H      -0.321963      0.224188      8.787438
  C      -3.460578      4.008064      7.452260
  C      -3.895569      5.249417      6.679720
  O      -4.610881      4.836093      5.491064
  C      -4.242339      5.337940      4.299995
  O      -3.251148      6.040820      4.124829
  C      -5.214783      4.947221      3.219152
  N      -6.395363      4.497881      3.636094
  C      -7.328157      4.233620      2.692293
  N      -7.225281      4.414652      1.389203
  C      -6.013067      4.851653      0.934991
  C      -5.842024      5.026930     -0.458305
  C      -4.626201      5.436631     -0.962108
  C      -3.541476      5.681616     -0.090745
  C      -3.678400      5.530882      1.275557
  C      -4.920441      5.126030      1.827970
  C      -1.302380      0.232431      3.225705
  C      -1.508862      1.137832      2.009487
  O      -2.455711      2.212765      2.241214
  C      -3.622219      1.881742      2.910263
  O      -3.569604      1.911277      4.214800
  C      -4.822616      1.543154      2.237592
  N      -5.863194      1.186974      3.050048
  C      -7.012826      0.836524      2.466910
  N      -7.308756      0.772174      1.171842
  C      -6.295446      1.136125      0.323046
  C      -6.551815      1.101491     -1.068994
  C      -5.582545      1.474029     -1.981479
  C      -4.323948      1.907402     -1.526829
  C      -4.046099      1.952535     -0.168989
  C      -5.005545      1.556115      0.790473
  C      -4.220510     -0.275899      6.370077
  C      -5.311702     -0.077940      7.417783
  O      -5.891378      1.247377      7.306709
  C      -7.125370      1.314455      6.763069
  O      -7.770142      0.346576      6.397116
  C      -7.628297      2.740013      6.703638
  N      -7.010390      3.615334      7.485042
  C      -7.467720      4.890563      7.469932
  N      -8.461729      5.378727      6.755409
  C      -9.108731      4.495635      5.941942
  C     -10.179487      4.972982      5.145896
  C     -10.865157      4.109133      4.320506
  C     -10.505184      2.742142      4.260528
  C      -9.465176      2.246896      5.019498
  C      -8.736390      3.109189      5.880065
  H      -3.337306      4.294666      8.514800
  H      -4.292419      3.284593      7.417521
  H      -3.047379      5.888713      6.402218
  H      -4.617212      5.831027      7.272796
  H      -8.276649      3.837761      3.062295
  H      -6.690278      4.802441     -1.105662
  H      -4.493408      5.557967     -2.038437
  H      -2.580275      5.993116     -0.504048
  H      -2.843466      5.737303      1.940118
  H      -2.253553     -0.303136      3.400294
  H      -0.558907     -0.536806      2.945742
  H      -1.851970      0.521634      1.158112
  H      -0.578273      1.650584      1.724150
  H      -7.818039      0.558420      3.157490
  H      -7.543999      0.776817     -1.386832
  H      -5.797076      1.442401     -3.051657
  H      -3.564416      2.226857     -2.242734
  H      -3.083187      2.328155      0.164592
  H      -4.612048      0.046075      5.393543
  H      -4.011734     -1.362402      6.304893
  H      -6.104627     -0.827251      7.296382
  H      -4.907694     -0.127063      8.438396
  H      -6.946995      5.587638      8.134434
  H     -10.426788      6.033148      5.210389
  H     -11.684980      4.478161      3.702008
  H     -11.048719      2.071480      3.593506
  H      -9.194520      1.195899      4.970622
  N      -1.051810      3.935301      4.213817
  H      -1.332191      3.661003      3.267441
  H      -0.040774      4.074346      4.227666
  H      -1.507154      4.829555      4.418520
99
Coordinates from ORCA-job orca E -6653.019524424401
  N      -2.240347      3.403247      6.960172
  Mo     -2.190328      1.912602      5.602476
  N      -2.981880      0.442709      6.645566
  C      -2.154128     -0.212027      7.667512
  C      -1.087804      0.749878      8.185426
  N      -0.454058      1.463449      7.037624
  C       0.091662      2.796107      7.409787
  C      -1.059209      3.757997      7.732269
  C       0.560005      0.619151      6.341989
  C       0.510308      0.904837      4.838179
  N      -0.887668      0.929896      4.439994
  H      -0.714453      4.794801      7.541676
  H      -1.301104      3.715368      8.813637
  H       0.656026      3.154223      6.538405
  H       0.794095      2.713134      8.258264
  H       1.064830      0.117953      4.298037
  H       1.024430      1.862353      4.617176
  H       0.282511     -0.430393      6.506719
  H       1.560802      0.788044      6.775055
  H      -2.762093     -0.548714      8.526381
  H      -1.687398     -1.125130      7.241575
  H      -1.564182      1.510290      8.816405
  H      -0.325541      0.223598      8.785526
  C      -3.480075      3.998484      7.441931
  C      -3.919930      5.238590      6.669102
  O      -4.621715      4.821042      5.474822
  C      -4.246970      5.329980      4.288681
  O      -3.261239      6.042715      4.124446
  C      -5.209095      4.939574      3.199166
  N      -6.389310      4.477444      3.603588
  C      -7.314375      4.218277      2.651332
  N      -7.202252      4.410994      1.350063
  C      -5.990821      4.863845      0.909510
  C      -5.810600      5.057285     -0.480678
  C      -4.594877      5.484116     -0.971045
  C      -3.518991      5.728987     -0.088833
  C      -3.664898      5.561032      1.274451
  C      -4.906892      5.136887      1.812859
  C      -1.295069      0.240083      3.224831
  C      -1.515377      1.140232      2.006451
  O      -2.466973      2.208797      2.245470
  C      -3.630828      1.865752      2.912323
  O      -3.578963      1.901059      4.217578
  C      -4.827966      1.513753      2.243355
  N      -5.863949      1.153562      3.059433
  C      -7.013010      0.796088      2.480314
  N      -7.312801      0.728196      1.186165
  C      -6.305500      1.100950      0.334061
  C      -6.567567      1.068495     -1.057017
  C      -5.605893      1.453623     -1.972261
  C      -4.349993      1.898529     -1.521457
  C      -4.066929      1.941624     -0.164575
  C      -5.017498      1.530439      0.797306
  C      -4.217185     -0.286127      6.357628
  C      -5.311901     -0.090580      7.400421
  O      -5.876342      1.241170      7.283713
  C      -7.135198      1.316112      6.802642
  O      -7.818516      0.352753      6.499100
  C      -7.617758      2.747306      6.729132
  N      -6.995627      3.621822      7.508350
  C      -7.446108      4.899867      7.484934
  N      -8.431995      5.390955      6.760809
  C      -9.080854      4.508361      5.948253
  C     -10.145735      4.987629      5.145945
  C     -10.837087      4.122228      4.326463
  C     -10.486065      2.752214      4.275764
  C      -9.449838      2.255835      5.039564
  C      -8.718671      3.119578      5.897201
  H      -3.366883      4.283373      8.505984
  H      -4.306604      3.269669      7.398562
  H      -3.074551      5.884778      6.399530
  H      -4.649319      5.813533      7.258572
  H      -8.261738      3.807180      3.011362
  H      -6.651898      4.833184     -1.136479
  H      -4.455798      5.619830     -2.044537
  H      -2.557831      6.055364     -0.490532
  H      -2.836089      5.767014      1.947101
  H      -2.240229     -0.304077      3.405634
  H      -0.545620     -0.522490      2.942901
  H      -1.860985      0.519501      1.159241
  H      -0.590444      1.659164      1.713223
  H      -7.815870      0.520391      3.174495
  H      -7.557898      0.735612     -1.371646
  H      -5.823911      1.422481     -3.041766
  H      -3.597560      2.229455     -2.239627
  H      -3.106644      2.325490      0.167579
  H      -4.608533      0.038013      5.381420
  H      -4.006602     -1.372272      6.291189
  H      -6.110651     -0.831763      7.269106
  H      -4.915854     -0.150108      8.423872
  H      -6.928390      5.596335      8.152252
  H     -10.384872      6.050260      5.203543
  H     -11.653927      4.491980      3.704572
  H     -11.033595      2.080329      3.613344
  H      -9.187099      1.202426      4.998533
  N      -1.076138      3.944213      4.207019
  H      -1.346070      3.669489      3.257750
  H      -0.063896      4.071915      4.236755
  H      -1.527857      4.840669      4.409526
99
Coordinates from ORCA-job orca E -6653.019584092589
  N      -2.243599      3.408777      6.954260
  Mo     -2.189847      1.917579      5.596438
  N      -2.981288      0.445770      6.637701
  C      -2.154491     -0.207913      7.660766
  C      -1.091298      0.755890      8.181318
  N      -0.456128      1.469728      7.034726
  C       0.088220      2.802890      7.406931
  C      -1.063527      3.764054      7.727789
  C       0.559788      0.625587      6.341785
  C       0.512278      0.909615      4.837738
  N      -0.884807      0.934419      4.437249
  H      -0.719662      4.801379      7.538163
  H      -1.307077      3.720715      8.808891
  H       0.653210      3.160873      6.535771
  H       0.789777      2.720715      8.256251
  H       1.067754      0.122306      4.299232
  H       1.026437      1.866981      4.616578
  H       0.283182     -0.423975      6.507626
  H       1.559655      0.796278      6.776093
  H      -2.763539     -0.546521      8.518137
  H      -1.684985     -1.119859      7.235309
  H      -1.570950      1.515619      8.810675
  H      -0.329352      0.231510      8.783397
  C      -3.484038      3.999714      7.439266
  C      -3.924991      5.243523      6.672066
  O      -4.630247      4.832574      5.477553
  C      -4.254136      5.340862      4.291424
  O      -3.267508      6.052519      4.127850
  C      -5.216264      4.951178      3.201390
  N      -6.400058      4.497959      3.606178
  C      -7.324203      4.236634      2.653830
  N      -7.208390      4.418716      1.351372
  C      -5.992743      4.858708      0.910132
  C      -5.807675      5.036606     -0.481500
  C      -4.588430      5.451445     -0.972849
  C      -3.513510      5.699021     -0.089935
  C      -3.663811      5.545519      1.274578
  C      -4.909603      5.134393      1.814181
  C      -1.291554      0.236231      3.226812
  C      -1.514126      1.129346      2.003769
  O      -2.462490      2.201981      2.237757
  C      -3.628315      1.867519      2.905223
  O      -3.577296      1.905047      4.210863
  C      -4.827565      1.523785      2.235362
  N      -5.867427      1.168926      3.049422
  C      -7.017507      0.818828      2.467862
  N      -7.314376      0.750614      1.173080
  C      -6.302227      1.114287      0.322890
  C      -6.559846      1.078003     -1.069054
  C      -5.591910      1.451392     -1.982624
  C      -4.333657      1.887439     -1.529299
  C      -4.054947      1.934226     -0.171736
  C      -5.012589      1.536314      0.788714
  C      -4.213776     -0.285773      6.346382
  C      -5.309663     -0.096987      7.388727
  O      -5.879438      1.233353      7.278982
  C      -7.146589      1.306811      6.820855
  O      -7.834383      0.344125      6.526194
  C      -7.629622      2.737725      6.754167
  N      -7.011390      3.606128      7.542909
  C      -7.462097      4.884318      7.526890
  N      -8.442080      5.381347      6.799000
  C      -9.085670      4.505022      5.975200
  C     -10.143239      4.990512      5.166729
  C     -10.827264      4.131311      4.334801
  C     -10.475801      2.761700      4.276552
  C      -9.446656      2.259359      5.045791
  C      -8.723920      3.116352      5.916912
  H      -3.371873      4.278664      8.505026
  H      -4.309726      3.270236      7.392062
  H      -3.079280      5.890030      6.403789
  H      -4.652790      5.816545      7.265791
  H      -8.277438      3.843130      3.015088
  H      -6.649010      4.810675     -1.137111
  H      -4.445921      5.575427     -2.047482
  H      -2.549290      6.015834     -0.491873
  H      -2.835230      5.752698      1.947013
  H      -2.235683     -0.308647      3.410834
  H      -0.540468     -0.526225      2.948693
  H      -1.863044      0.504256      1.161326
  H      -0.588985      1.644547      1.705317
  H      -7.823022      0.545436      3.159852
  H      -7.551805      0.751392     -1.385439
  H      -5.806335      1.417331     -3.052748
  H      -3.575696      2.208199     -2.246281
  H      -3.092098      2.310387      0.162193
  H      -4.604595      0.039160      5.370284
  H      -4.000478     -1.371282      6.278358
  H      -6.106107     -0.839732      7.252753
  H      -4.914698     -0.160892      8.412456
  H      -6.947377      5.575826      8.201744
  H     -10.382958      6.052636      5.229475
  H     -11.638551      4.505876      3.708472
  H     -11.017358      2.095134      3.603846
  H      -9.183466      1.206248      4.998546
  N      -1.076659      3.946174      4.199524
  H      -1.343274      3.669007      3.250335
  H      -0.064327      4.070608      4.232914
  H      -1.527293      4.844163      4.397379
99
Coordinates from ORCA-job orca E -6653.019615830422
  N      -2.246647      3.411259      6.955609
  Mo     -2.189778      1.920899      5.596176
  N      -2.981487      0.446926      6.634940
  C      -2.154561     -0.207811      7.656804
  C      -1.093136      0.756406      8.179884
  N      -0.457638      1.471685      7.034281
  C       0.085763      2.804954      7.407748
  C      -1.066187      3.764854      7.730069
  C       0.559518      0.628442      6.341790
  C       0.511588      0.911083      4.837455
  N      -0.885460      0.935037      4.436856
  H      -0.723304      4.802974      7.542851
  H      -1.310392      3.718698      8.811071
  H       0.650005      3.163953      6.536395
  H       0.787748      2.722438      8.256745
  H       1.067493      0.123593      4.299604
  H       1.025355      1.868435      4.615480
  H       0.284755     -0.421318      6.509029
  H       1.558999      0.801704      6.775784
  H      -2.763417     -0.549956      8.512939
  H      -1.683086     -1.117910      7.229264
  H      -1.574675      1.515089      8.809108
  H      -0.331073      0.232649      8.782243
  C      -3.484610      4.006392      7.441020
  C      -3.921993      5.250083      6.671855
  O      -4.633297      4.841696      5.480044
  C      -4.256199      5.346080      4.292616
  O      -3.267125      6.053911      4.127207
  C      -5.217444      4.954464      3.202584
  N      -6.401041      4.500485      3.607308
  C      -7.323945      4.236991      2.654381
  N      -7.207071      4.416150      1.351673
  C      -5.991016      4.854879      0.910559
  C      -5.804473      5.029073     -0.481269
  C      -4.584848      5.443006     -0.972162
  C      -3.511096      5.693377     -0.088568
  C      -3.662823      5.543762      1.276157
  C      -4.909313      5.133894      1.815477
  C      -1.291246      0.236240      3.226841
  C      -1.513600      1.129119      2.003656
  O      -2.462798      2.201803      2.235849
  C      -3.628654      1.868975      2.904170
  O      -3.576818      1.908350      4.209743
  C      -4.828959      1.526025      2.235057
  N      -5.868064      1.168859      3.049439
  C      -7.018799      0.820518      2.468321
  N      -7.317153      0.755207      1.173799
  C      -6.304976      1.117239      0.323113
  C      -6.563477      1.081091     -1.068655
  C      -5.594691      1.450093     -1.983075
  C      -4.334546      1.881688     -1.530698
  C      -4.055332      1.929615     -0.173350
  C      -5.014063      1.536861      0.788192
  C      -4.211714     -0.286192      6.339739
  C      -5.310765     -0.101360      7.379041
  O      -5.880603      1.229437      7.271959
  C      -7.152238      1.303011      6.827215
  O      -7.844734      0.341215      6.541628
  C      -7.633829      2.734091      6.762306
  N      -7.017820      3.599347      7.555899
  C      -7.467647      4.878124      7.541472
  N      -8.443838      5.377941      6.810588
  C      -9.085038      4.504252      5.981906
  C     -10.138358      4.991838      5.169216
  C     -10.818050      4.134621      4.331692
  C     -10.466730      2.764977      4.271492
  C      -9.442187      2.260663      5.045315
  C      -8.724257      3.115474      5.922031
  H      -3.370954      4.286466      8.506238
  H      -4.312193      3.278813      7.396319
  H      -3.073720      5.891654      6.399993
  H      -4.645259      5.827854      7.266624
  H      -8.277293      3.844180      3.014777
  H      -6.645068      4.800163     -1.137039
  H      -4.440938      5.563463     -2.047203
  H      -2.546580      6.009699     -0.489907
  H      -2.835554      5.753269      1.949415
  H      -2.235807     -0.308253      3.410245
  H      -0.539881     -0.526195      2.949240
  H      -1.861154      0.503844      1.160880
  H      -0.588409      1.644686      1.706299
  H      -7.823326      0.544021      3.160084
  H      -7.556750      0.757365     -1.384091
  H      -5.809776      1.416155     -3.053119
  H      -3.575316      2.198011     -2.248366
  H      -3.091333      2.303674      0.159088
  H      -4.600586      0.038788      5.363035
  H      -3.996789     -1.371416      6.271415
  H      -6.106544     -0.843653      7.236457
  H      -4.920629     -0.170160      8.404356
  H      -6.954973      5.567225      8.220420
  H     -10.379207      6.053569      5.232893
  H     -11.626113      4.511098      3.702451
  H     -11.004586      2.100673      3.593553
  H      -9.178632      1.207609      4.997066
  N      -1.077417      3.947558      4.196864
  H      -1.338938      3.664067      3.248149
  H      -0.065747      4.076428      4.232624
  H      -1.531748      4.845767      4.385956
99
Coordinates from ORCA-job orca E -6653.019644214973
  N      -2.259964      3.412389      6.956833
  Mo     -2.191369      1.925126      5.593596
  N      -2.980789      0.444203      6.625263
  C      -2.154597     -0.211177      7.646804
  C      -1.099438      0.755738      8.177044
  N      -0.462897      1.476922      7.035666
  C       0.073635      2.811558      7.414681
  C      -1.082811      3.765341      7.737696
  C       0.560097      0.639285      6.344578
  C       0.514358      0.922577      4.840114
  N      -0.881749      0.942401      4.435933
  H      -0.743727      4.805901      7.557433
  H      -1.331228      3.712049      8.817497
  H       0.637996      3.175508      6.545330
  H       0.774338      2.729616      8.264852
  H       1.074360      0.137524      4.302931
  H       1.025436      1.881807      4.620114
  H       0.290529     -0.411883      6.511022
  H       1.557547      0.818023      6.780886
  H      -2.764479     -0.560322      8.499423
  H      -1.677308     -1.117191      7.216696
  H      -1.587042      1.510493      8.806358
  H      -0.337194      0.233890      8.780745
  C      -3.499435      4.008666      7.437328
  C      -3.934752      5.252155      6.666750
  O      -4.648160      4.846623      5.474891
  C      -4.267430      5.348529      4.287747
  O      -3.278342      6.056626      4.123975
  C      -5.225439      4.955531      3.194871
  N      -6.411967      4.506413      3.596418
  C      -7.331497      4.242461      2.640101
  N      -7.208680      4.417333      1.337433
  C      -5.989577      4.850667      0.899776
  C      -5.796870      5.020016     -0.491810
  C      -4.574089      5.428991     -0.978593
  C      -3.503400      5.679124     -0.091246
  C      -3.661009      5.534285      1.273234
  C      -4.911067      5.129594      1.808675
  C      -1.283315      0.239817      3.226658
  C      -1.508194      1.129937      2.001789
  O      -2.461283      2.200066      2.230345
  C      -3.627085      1.866458      2.898821
  O      -3.576193      1.909238      4.204308
  C      -4.827493      1.521835      2.230592
  N      -5.866709      1.166019      3.045847
  C      -7.018866      0.821329      2.465660
  N      -7.319647      0.759553      1.171544
  C      -6.306646      1.116999      0.319868
  C      -6.566635      1.081807     -1.071591
  C      -5.596442      1.443961     -1.987280
  C      -4.333183      1.867904     -1.536363
  C      -4.052820      1.916106     -0.179273
  C      -5.013111      1.530607      0.783630
  C      -4.206391     -0.292863      6.322381
  C      -5.310896     -0.115496      7.356213
  O      -5.875927      1.218288      7.254672
  C      -7.160378      1.297775      6.851151
  O      -7.871716      0.340802      6.597882
  C      -7.631228      2.731904      6.786292
  N      -7.014568      3.590461      7.586392
  C      -7.459753      4.871434      7.575093
  N      -8.430628      5.377904      6.841950
  C      -9.071185      4.510493      6.005912
  C     -10.119116      5.003858      5.189959
  C     -10.795978      4.151407      4.345130
  C     -10.447602      2.781036      4.279916
  C      -9.429079      2.271176      5.057776
  C      -8.715102      3.120910      5.942098
  H      -3.389752      4.288764      8.502818
  H      -4.326473      3.280426      7.390917
  H      -3.085244      5.891817      6.394429
  H      -4.657076      5.831543      7.261303
  H      -8.288223      3.855662      2.997245
  H      -6.635424      4.790545     -1.150171
  H      -4.425083      5.545170     -2.053563
  H      -2.536302      5.991489     -0.489340
  H      -2.836387      5.743573      1.949665
  H      -2.226495     -0.307396      3.409686
  H      -0.528842     -0.520257      2.951152
  H      -1.852288      0.502193      1.159492
  H      -0.584377      1.648218      1.705031
  H      -7.823117      0.544609      3.157692
  H      -7.562207      0.763764     -1.385702
  H      -5.812814      1.411050     -3.057129
  H      -3.572099      2.177674     -2.254974
  H      -3.086250      2.285224      0.151198
  H      -4.592395      0.032804      5.344857
  H      -3.987801     -1.377356      6.252787
  H      -6.107756     -0.854028      7.200430
  H      -4.929591     -0.196266      8.384138
  H      -6.947962      5.555103      8.260189
  H     -10.359632      6.065486      5.256631
  H     -11.599974      4.532772      3.713662
  H     -10.982892      2.121728      3.595103
  H      -9.167598      1.217566      5.006956
  N      -1.084781      3.953388      4.196121
  H      -1.336610      3.662770      3.246940
  H      -0.073918      4.086639      4.239300
  H      -1.543568      4.851678      4.374345
99
Coordinates from ORCA-job orca E -6653.019662565991
  N      -2.261419      3.413270      6.959398
  Mo     -2.191356      1.927566      5.594233
  N      -2.980830      0.444284      6.623015
  C      -2.154942     -0.212919      7.643549
  C      -1.100188      0.753201      8.175986
  N      -0.463096      1.476612      7.036120
  C       0.072007      2.811108      7.417680
  C      -1.084849      3.763177      7.742953
  C       0.560614      0.640726      6.343831
  C       0.514097      0.924549      4.839278
  N      -0.882149      0.944105      4.435369
  H      -0.745794      4.804363      7.566720
  H      -1.334607      3.705865      8.822220
  H       0.635707      3.177244      6.548809
  H       0.773144      2.728472      8.267412
  H       1.074360      0.140035      4.301550
  H       1.024932      1.884050      4.619687
  H       0.292589     -0.410861      6.510091
  H       1.557979      0.820840      6.779796
  H      -2.765009     -0.564244      8.495166
  H      -1.677023     -1.117776      7.211542
  H      -1.588208      1.506824      8.806315
  H      -0.338237      0.230404      8.779257
  C      -3.499296      4.015221      7.436680
  C      -3.929230      5.258474      6.663703
  O      -4.645607      4.854343      5.472712
  C      -4.262737      5.353193      4.285474
  O      -3.272672      6.059730      4.121015
  C      -5.219699      4.958618      3.191811
  N      -6.405439      4.507446      3.592457
  C      -7.322763      4.239838      2.634581
  N      -7.198187      4.414656      1.332189
  C      -5.979859      4.851690      0.895818
  C      -5.785770      5.022125     -0.495454
  C      -4.562942      5.433537     -0.980095
  C      -3.493722      5.684767     -0.091343
  C      -3.652813      5.539092      1.272835
  C      -4.903278      5.132368      1.806140
  C      -1.284201      0.241667      3.226207
  C      -1.509726      1.131663      2.001331
  O      -2.463874      2.200848      2.229165
  C      -3.628785      1.866225      2.899299
  O      -3.576838      1.911529      4.204382
  C      -4.829343      1.518534      2.233040
  N      -5.866141      1.159112      3.049940
  C      -7.018571      0.812539      2.471506
  N      -7.323063      0.754418      1.178037
  C      -6.312356      1.114861      0.324787
  C      -6.575651      1.083001     -1.066062
  C      -5.607487      1.446475     -1.983382
  C      -4.342861      1.868401     -1.534633
  C      -4.059426      1.913985     -0.178025
  C      -5.017830      1.527862      0.786418
  C      -4.204324     -0.294670      6.315587
  C      -5.314877     -0.119363      7.342884
  O      -5.875832      1.216394      7.238798
  C      -7.169880      1.297788      6.868463
  O      -7.894831      0.342683      6.648362
  C      -7.634854      2.733230      6.794951
  N      -7.017971      3.593892      7.592637
  C      -7.463047      4.875323      7.575460
  N      -8.433291      5.378928      6.839752
  C      -9.072619      4.509022      6.005307
  C     -10.119482      4.998601      5.185989
  C     -10.793853      4.142388      4.342895
  C     -10.443992      2.772131      4.282031
  C      -9.426550      2.265952      5.063673
  C      -8.716129      3.119644      5.946827
  H      -3.389919      4.297390      8.501651
  H      -4.328357      3.289244      7.391658
  H      -3.077362      5.893909      6.389118
  H      -4.648904      5.842165      7.257058
  H      -8.278475      3.848533      2.990452
  H      -6.622857      4.791384     -1.155046
  H      -4.412570      5.551041     -2.054628
  H      -2.526644      5.998767     -0.488369
  H      -2.829849      5.749527      1.950975
  H      -2.227790     -0.304681      3.410066
  H      -0.530458     -0.519037      2.950768
  H      -1.852900      0.503455      1.158909
  H      -0.586060      1.650558      1.704780
  H      -7.820615      0.532068      3.164730
  H      -7.572027      0.765957     -1.378524
  H      -5.826614      1.416223     -3.052718
  H      -3.582909      2.178310     -2.254328
  H      -3.091599      2.281909      0.150135
  H      -4.587169      0.029456      5.336266
  H      -3.983776     -1.378901      6.247809
  H      -6.112597     -0.855118      7.178416
  H      -4.942219     -0.205892      8.373640
  H      -6.951283      5.561533      8.257932
  H     -10.361936      6.060039      5.248150
  H     -11.597105      4.521164      3.708849
  H     -10.977092      2.110694      3.597629
  H      -9.163533      1.212399      5.016887
  N      -1.088317      3.955693      4.195841
  H      -1.337980      3.661623      3.247032
  H      -0.077631      4.090688      4.240652
  H      -1.547584      4.854711      4.369708
99
Coordinates from ORCA-job orca E -6653.019676692477
  N      -2.264012      3.411531      6.961541
  Mo     -2.191908      1.928047      5.594712
  N      -2.981490      0.442674      6.620261
  C      -2.156883     -0.215569      7.641211
  C      -1.102556      0.749996      8.175758
  N      -0.464249      1.475212      7.037623
  C       0.069313      2.809686      7.421234
  C      -1.088405      3.760540      7.747024
  C       0.560294      0.641023      6.344740
  C       0.514605      0.926894      4.840503
  N      -0.881315      0.945748      4.435529
  H      -0.749236      4.801954      7.572697
  H      -1.339213      3.701543      8.825858
  H       0.633225      3.177539      6.553258
  H       0.770051      2.726780      8.271293
  H       1.076053      0.143641      4.302132
  H       1.024974      1.887134      4.622840
  H       0.292894     -0.410995      6.509377
  H       1.557341      0.821175      6.781486
  H      -2.768140     -0.567348      8.491799
  H      -1.678596     -1.120116      7.208965
  H      -1.590857      1.502846      8.806760
  H      -0.341375      0.226111      8.779099
  C      -3.501941      4.015585      7.436673
  C      -3.930980      5.257972      6.662424
  O      -4.647312      4.852208      5.471488
  C      -4.265999      5.351690      4.284345
  O      -3.277329      6.059966      4.118909
  C      -5.223438      4.955889      3.191243
  N      -6.409020      4.505538      3.592472
  C      -7.326634      4.237101      2.634663
  N      -7.202044      4.411810      1.332409
  C      -5.984003      4.849561      0.895559
  C      -5.790448      5.020702     -0.495666
  C      -4.567527      5.431961     -0.980343
  C      -3.497810      5.682210     -0.091937
  C      -3.656496      5.535886      1.272181
  C      -4.907058      5.129580      1.805433
  C      -1.281743      0.245755      3.224368
  C      -1.505543      1.137672      2.000578
  O      -2.462063      2.204593      2.227980
  C      -3.626378      1.866010      2.897368
  O      -3.575413      1.911375      4.201977
  C      -4.825479      1.514231      2.230461
  N      -5.861588      1.153284      3.047514
  C      -7.013573      0.804804      2.469155
  N      -7.318749      0.747556      1.175808
  C      -6.308664      1.110020      0.322471
  C      -6.572569      1.079670     -1.068205
  C      -5.605342      1.445643     -1.985551
  C      -4.341069      1.868520     -1.536906
  C      -4.056980      1.912517     -0.180280
  C      -5.014495      1.524019      0.784010
  C      -4.204015     -0.296476      6.309104
  C      -5.318688     -0.121715      7.331593
  O      -5.873501      1.216639      7.226274
  C      -7.174102      1.302504      6.882397
  O      -7.910450      0.350544      6.687285
  C      -7.632255      2.739695      6.802546
  N      -7.013207      3.601193      7.597618
  C      -7.456756      4.883422      7.576603
  N      -8.427668      5.385854      6.841030
  C      -9.067633      4.514937      6.008061
  C     -10.114176      5.002905      5.187529
  C     -10.787623      4.144917      4.345315
  C     -10.437387      2.774672      4.286399
  C      -9.420497      2.269981      5.069712
  C      -8.711652      3.125616      5.952207
  H      -3.392565      4.299946      8.501115
  H      -4.331303      3.289954      7.393186
  H      -3.079261      5.893060      6.386645
  H      -4.651004      5.842588      7.254360
  H      -8.281574      3.843638      2.991025
  H      -6.627685      4.790899     -1.155286
  H      -4.417258      5.550265     -2.054800
  H      -2.530704      5.995394     -0.489640
  H      -2.833310      5.745569      1.950394
  H      -2.225566     -0.300825      3.406393
  H      -0.527881     -0.514777      2.948825
  H      -1.845827      0.510148      1.156382
  H      -0.581926      1.658316      1.706763
  H      -7.814803      0.522066      3.162530
  H      -7.568594      0.761697     -1.380792
  H      -5.825153      1.416529     -3.054782
  H      -3.581795      2.180410     -2.256480
  H      -3.089253      2.281067      0.147515
  H      -4.584274      0.027478      5.328640
  H      -3.982871     -1.380597      6.242155
  H      -6.118587     -0.853668      7.160597
  H      -4.952326     -0.213865      8.364236
  H      -6.943420      5.570833      8.256629
  H     -10.356933      6.064437      5.247004
  H     -11.590383      4.522599      3.710001
  H     -10.969796      2.112367      3.602355
  H      -9.157127      1.216306      5.024966
  N      -1.090283      3.956787      4.197664
  H      -1.342172      3.663276      3.249175
  H      -0.079425      4.091657      4.240418
  H      -1.548269      4.856255      4.372459
99
Coordinates from ORCA-job orca E -6653.019686435843
  N      -2.262311      3.410416      6.963263
  Mo     -2.192079      1.928678      5.595383
  N      -2.982933      0.443013      6.619151
  C      -2.159862     -0.216464      7.640664
  C      -1.103956      0.747251      8.175604
  N      -0.464430      1.472518      7.038299
  C       0.070220      2.806207      7.422735
  C      -1.086808      3.757963      7.749237
  C       0.558852      0.638102      6.344246
  C       0.513811      0.926427      4.840518
  N      -0.881878      0.946507      4.435259
  H      -0.745927      4.798929      7.575515
  H      -1.337597      3.698890      8.827992
  H       0.634348      3.174434      6.555104
  H       0.770950      2.722289      8.272700
  H       1.074995      0.143585      4.301240
  H       1.025017      1.886681      4.624627
  H       0.289935     -0.413853      6.507029
  H       1.556238      0.815875      6.781291
  H      -2.772384     -0.566403      8.491108
  H      -1.683193     -1.122068      7.208986
  H      -1.590624      1.500431      8.807435
  H      -0.343794      0.221322      8.778516
  C      -3.500097      4.016365      7.436854
  C      -3.928216      5.258008      6.661234
  O      -4.642662      4.849238      5.469719
  C      -4.263366      5.350379      4.282806
  O      -3.276986      6.061787      4.117075
  C      -5.221309      4.953689      3.190226
  N      -6.406754      4.504195      3.592099
  C      -7.325477      4.236309      2.634898
  N      -7.201622      4.411515      1.332765
  C      -5.983784      4.849377      0.895176
  C      -5.791838      5.022707     -0.495989
  C      -4.569229      5.434184     -0.981372
  C      -3.498260      5.682405     -0.093838
  C      -3.655620      5.534318      1.270241
  C      -4.905776      5.128073      1.804092
  C      -1.281969      0.249009      3.222547
  C      -1.503688      1.142153      1.999434
  O      -2.460708      2.208439      2.226701
  C      -3.624595      1.868274      2.896233
  O      -3.573988      1.913265      4.200510
  C      -4.822878      1.514466      2.228815
  N      -5.858256      1.151773      3.045933
  C      -7.009594      0.800900      2.467573
  N      -7.314886      0.743435      1.174285
  C      -6.305635      1.108638      0.320946
  C      -6.569579      1.078389     -1.069702
  C      -5.603097      1.446821     -1.986910
  C      -4.339630      1.871845     -1.538141
  C      -4.055462      1.915461     -0.181453
  C      -5.012250      1.524585      0.782557
  C      -4.205116     -0.295720      6.305626
  C      -5.322278     -0.120644      7.325020
  O      -5.873955      1.219006      7.217193
  C      -7.180520      1.307204      6.898851
  O      -7.926181      0.357309      6.729972
  C      -7.633846      2.745204      6.809247
  N      -7.012550      3.610711      7.598109
  C      -7.456105      4.893058      7.570286
  N      -8.429273      5.391096      6.834760
  C      -9.070133      4.515911      6.006844
  C     -10.118115      4.998975      5.185266
  C     -10.790889      4.136352      4.347096
  C     -10.438762      2.766401      4.293482
  C      -9.421053      2.266184      5.078681
  C      -8.713412      3.126803      5.957346
  H      -3.390620      4.302688      8.500836
  H      -4.330014      3.291460      7.394199
  H      -3.076774      5.893278      6.384997
  H      -4.649323      5.843182      7.251219
  H      -8.280284      3.843447      2.992502
  H      -6.629785      4.794852     -1.155309
  H      -4.419986      5.554342     -2.055689
  H      -2.531434      5.995144     -0.492664
  H      -2.831439      5.742394      1.947760
  H      -2.226214     -0.297147      3.403371
  H      -0.528747     -0.512114      2.946758
  H      -1.842886      0.515104      1.154364
  H      -0.579686      1.662919      1.706981
  H      -7.810071      0.516237      3.161073
  H      -7.564815      0.758379     -1.382640
  H      -5.822989      1.417463     -3.056093
  H      -3.581133      2.186079     -2.257488
  H      -3.088260      2.285284      0.146481
  H      -4.583584      0.028188      5.324354
  H      -3.983698     -1.379795      6.239359
  H      -6.123479     -0.850445      7.151076
  H      -4.959459     -0.215485      8.358814
  H      -6.941197      5.584363      8.245120
  H     -10.361676      6.060604      5.239625
  H     -11.594349      4.510229      3.710374
  H     -10.970644      2.100632      3.612422
  H      -9.156198      1.212603      5.037935
  N      -1.088970      3.957342      4.200193
  H      -1.346870      3.667353      3.252145
  H      -0.077510      4.089092      4.238332
  H      -1.543209      4.857618      4.380219
99
Coordinates from ORCA-job orca E -6653.019692129421
  N      -2.259148      3.409681      6.964250
  Mo     -2.192208      1.928762      5.595938
  N      -2.984313      0.443984      6.619520
  C      -2.162327     -0.216098      7.641543
  C      -1.104338      0.745904      8.175566
  N      -0.464229      1.470000      7.037963
  C       0.072820      2.802798      7.421747
  C      -1.082678      3.756411      7.748794
  C       0.557045      0.634136      6.343044
  C       0.512341      0.924297      4.839769
  N      -0.883263      0.946083      4.434665
  H      -0.740183      4.796728      7.574072
  H      -1.332327      3.698577      8.827879
  H       0.636821      3.170151      6.553691
  H       0.773955      2.717976      8.271285
  H       1.072732      0.141396      4.299739
  H       1.024681      1.884234      4.625049
  H       0.285863     -0.417447      6.504603
  H       1.554972      0.809045      6.780068
  H      -2.775592     -0.563627      8.492455
  H      -1.687675     -1.123147      7.210798
  H      -1.588984      1.499952      8.807888
  H      -0.344818      0.218381      8.777919
  C      -3.495931      4.016828      7.439049
  C      -3.923998      5.257888      6.662512
  O      -4.637259      4.846627      5.471064
  C      -4.261202      5.350347      4.284193
  O      -3.276189      6.063414      4.117537
  C      -5.220469      4.953503      3.192972
  N      -6.405214      4.503664      3.596393
  C      -7.325576      4.236145      2.640695
  N      -7.203645      4.411326      1.338396
  C      -5.986322      4.849116      0.899140
  C      -5.796217      5.022068     -0.492322
  C      -4.574335      5.433673     -0.979554
  C      -3.502111      5.682144     -0.093528
  C      -3.657646      5.534160      1.270785
  C      -4.906946      5.127975      1.806363
  C      -1.283303      0.250996      3.220720
  C      -1.503054      1.145751      1.998585
  O      -2.460419      2.211644      2.226432
  C      -3.623860      1.869912      2.895940
  O      -3.573081      1.914199      4.200073
  C      -4.821490      1.515017      2.227777
  N      -5.856740      1.150588      3.044264
  C      -7.007372      0.798500      2.465150
  N      -7.311709      0.740724      1.171686
  C      -6.302637      1.107963      0.319017
  C      -6.565752      1.077725     -1.071809
  C      -5.599370      1.448402     -1.988245
  C      -4.336993      1.875668     -1.538526
  C      -4.053667      1.919150     -0.181667
  C      -5.010303      1.525911      0.781544
  C      -4.206630     -0.293931      6.304877
  C      -5.325217     -0.117977      7.322240
  O      -5.874965      1.222320      7.211339
  C      -7.185226      1.311475      6.910250
  O      -7.936342      0.362742      6.759792
  C      -7.636196      2.749525      6.813254
  N      -7.014799      3.618358      7.598192
  C      -7.459015      4.900498      7.564749
  N      -8.432311      5.394995      6.827029
  C      -9.072381      4.516148      6.002210
  C     -10.119901      4.995144      5.177624
  C     -10.790737      4.128701      4.341758
  C     -10.436952      2.759004      4.293351
  C      -9.419998      2.262580      5.081969
  C      -8.714895      3.127247      5.958645
  H      -3.384717      4.304349      8.502535
  H      -4.326611      3.292775      7.397792
  H      -3.072790      5.893290      6.385796
  H      -4.645520      5.843536      7.251465
  H      -8.280151      3.844584      3.000287
  H      -6.634971      4.794299     -1.150653
  H      -4.426603      5.553791     -2.054065
  H      -2.535946      5.994881     -0.493911
  H      -2.832278      5.742112      1.946953
  H      -2.227978     -0.294840      3.400071
  H      -0.530598     -0.510471      2.944215
  H      -1.841445      0.519613      1.152494
  H      -0.578761      1.666760      1.707584
  H      -7.807951      0.513033      3.158176
  H      -7.560136      0.755948     -1.385621
  H      -5.818541      1.418735     -3.057565
  H      -3.578819      2.192100     -2.257244
  H      -3.087394      2.290502      0.147281
  H      -4.583702      0.030161      5.323078
  H      -3.985491     -1.378089      6.239104
  H      -6.127155     -0.846731      7.147240
  H      -4.964594     -0.213557      8.356809
  H      -6.944082      5.595128      8.236153
  H     -10.364066      6.056830      5.227438
  H     -11.593703      4.499272      3.702494
  H     -10.967085      2.090238      3.613851
  H      -9.153983      1.209083      5.045038
  N      -1.087654      3.956942      4.200625
  H      -1.351130      3.669572      3.253267
  H      -0.075758      4.086414      4.233651
  H      -1.539273      4.857580      4.385127
99
Coordinates from ORCA-job orca E -6653.019696781706
  N      -2.256210      3.409073      6.965872
  Mo     -2.191839      1.928818      5.597045
  N      -2.985299      0.445104      6.620698
  C      -2.163961     -0.215682      7.642694
  C      -1.104213      0.744819      8.175885
  N      -0.464009      1.467878      7.037793
  C       0.075403      2.799862      7.421106
  C      -1.078627      3.755191      7.748760
  C       0.555604      0.630611      6.342243
  C       0.511075      0.922049      4.839332
  N      -0.884544      0.945186      4.434479
  H      -0.735127      4.795038      7.572963
  H      -1.327040      3.698453      8.828227
  H       0.639250      3.166349      6.552591
  H       0.776907      2.713966      8.270212
  H       1.070731      0.138977      4.298772
  H       1.024293      1.881665      4.625283
  H       0.282483     -0.420599      6.502973
  H       1.553935      0.803209      6.779268
  H      -2.777498     -0.561718      8.494044
  H      -1.690974     -1.123740      7.212267
  H      -1.587256      1.499509      8.808659
  H      -0.344951      0.216143      8.777540
  C      -3.492070      4.017539      7.441333
  C      -3.919966      5.257738      6.663126
  O      -4.631724      4.844247      5.471676
  C      -4.258350      5.350624      4.284900
  O      -3.274752      6.065593      4.118151
  C      -5.218350      4.954005      3.194452
  N      -6.403061      4.504517      3.598815
  C      -7.324854      4.238846      2.644175
  N      -7.204237      4.413889      1.341656
  C      -5.986854      4.850359      0.901350
  C      -5.797964      5.023188     -0.490286
  C      -4.576505      5.434473     -0.978826
  C      -3.503356      5.682675     -0.093785
  C      -3.657652      5.534712      1.270700
  C      -4.906441      5.128880      1.807576
  C      -1.284129      0.252417      3.219277
  C      -1.502504      1.148738      1.998175
  O      -2.460396      2.214305      2.226468
  C      -3.623430      1.872164      2.896548
  O      -3.571777      1.915576      4.200679
  C      -4.821312      1.517595      2.228635
  N      -5.856209      1.152530      3.045320
  C      -7.007078      0.800846      2.466496
  N      -7.311402      0.742670      1.173091
  C      -6.302624      1.109904      0.320170
  C      -6.565892      1.078791     -1.070658
  C      -5.599600      1.449082     -1.987343
  C      -4.337285      1.876949     -1.537942
  C      -4.053898      1.921468     -0.181202
  C      -5.010338      1.528463      0.782391
  C      -4.207459     -0.292379      6.304946
  C      -5.326587     -0.116010      7.321445
  O      -5.876218      1.224269      7.208214
  C      -7.188440      1.313180      6.916448
  O      -7.942027      0.364790      6.776770
  C      -7.638384      2.750930      6.813482
  N      -7.016536      3.622670      7.594615
  C      -7.460782      4.904756      7.556153
  N      -8.434402      5.396284      6.816940
  C      -9.074825      4.514100      5.995787
  C     -10.122680      4.989566      5.169523
  C     -10.792909      4.119791      4.336604
  C     -10.438208      2.750145      4.292921
  C      -9.421425      2.257005      5.083811
  C      -8.717137      3.125196      5.957490
  H      -3.379732      4.306112      8.504354
  H      -4.323478      3.294227      7.400936
  H      -3.068712      5.893132      6.386459
  H      -4.641983      5.843967      7.250974
  H      -8.279716      3.849397      3.004852
  H      -6.637402      4.795618     -1.147886
  H      -4.429848      5.554365     -2.053509
  H      -2.537532      5.995343     -0.494998
  H      -2.831335      5.742175      1.945844
  H      -2.229187     -0.293320      3.396856
  H      -0.531630     -0.509025      2.941969
  H      -1.839955      0.523654      1.150965
  H      -0.578080      1.670317      1.708768
  H      -7.807429      0.515148      3.159642
  H      -7.560239      0.756637     -1.384218
  H      -5.818765      1.418564     -3.056637
  H      -3.579311      2.193236     -2.256925
  H      -3.087920      2.293487      0.147759
  H      -4.583523      0.032211      5.322936
  H      -3.986533     -1.376585      6.238979
  H      -6.128420     -0.844958      7.146729
  H      -4.966794     -0.211047      8.356379
  H      -6.945908      5.602083      8.224822
  H     -10.367386      6.051273      5.215760
  H     -11.596093      4.487495      3.695956
  H     -10.967635      2.078684      3.615512
  H      -9.155004      1.203440      5.050558
  N      -1.084652      3.956865      4.202081
  H      -1.351431      3.670728      3.255258
  H      -0.072669      4.086294      4.231272
  H      -1.535913      4.857122      4.389203
99
Coordinates from ORCA-job orca E -6653.019699109715
  N      -2.255171      3.408663      6.966619
  Mo     -2.191690      1.928789      5.597220
  N      -2.985515      0.445461      6.620950
  C      -2.164428     -0.215569      7.642899
  C      -1.104043      0.744418      8.175736
  N      -0.464069      1.467166      7.037311
  C       0.076403      2.798773      7.420600
  C      -1.076989      3.754737      7.748571
  C       0.555004      0.629334      6.341581
  C       0.510770      0.921696      4.838890
  N      -0.884852      0.945618      4.433832
  H      -0.733527      4.794504      7.572182
  H      -1.324750      3.698406      8.828251
  H       0.640211      3.164883      6.551889
  H       0.778029      2.712245      8.269527
  H       1.070238      0.138816      4.297879
  H       1.024275      1.881284      4.625490
  H       0.280926     -0.421720      6.501677
  H       1.553373      0.800828      6.778939
  H      -2.777978     -0.561239      8.494412
  H      -1.692038     -1.123995      7.212549
  H      -1.586627      1.499235      8.808710
  H      -0.344671      0.215495      8.777003
  C      -3.490691      4.017172      7.442840
  C      -3.918828      5.256759      6.663711
  O      -4.629148      4.842286      5.472030
  C      -4.257243      5.351096      4.285675
  O      -3.274575      6.067406      4.119455
  C      -5.217204      4.954774      3.195256
  N      -6.401900      4.504937      3.599707
  C      -7.323724      4.239680      2.645172
  N      -7.203396      4.414817      1.342546
  C      -5.986081      4.851282      0.902209
  C      -5.797099      5.023915     -0.489448
  C      -4.575891      5.435821     -0.978045
  C      -3.502970      5.684855     -0.092962
  C      -3.657221      5.536837      1.271528
  C      -4.905741      5.130168      1.808477
  C      -1.284162      0.253338      3.218334
  C      -1.503074      1.150353      1.997798
  O      -2.461718      2.215318      2.226663
  C      -3.624230      1.872410      2.897217
  O      -3.571594      1.915455      4.201476
  C      -4.822452      1.517739      2.230118
  N      -5.856879      1.152072      3.047224
  C      -7.007981      0.800456      2.468880
  N      -7.312812      0.742376      1.175608
  C      -6.304460      1.109619      0.322259
  C      -6.568245      1.078118     -1.068484
  C      -5.602395      1.448445     -1.985608
  C      -4.340032      1.876840     -1.536775
  C      -4.056153      1.921794     -0.180202
  C      -5.012053      1.528622      0.783898
  C      -4.207468     -0.292058      6.304439
  C      -5.327132     -0.115471      7.320169
  O      -5.876589      1.224834      7.205333
  C      -7.190313      1.313802      6.920712
  O      -7.945820      0.365858      6.788911
  C      -7.639418      2.751465      6.814583
  N      -7.018428      3.624259      7.595128
  C      -7.462565      4.906389      7.553961
  N      -8.434688      5.396901      6.812145
  C      -9.074171      4.513405      5.991582
  C     -10.120650      4.987457      5.162765
  C     -10.789706      4.116215      4.330452
  C     -10.435103      2.746420      4.289761
  C      -9.419787      2.254644      5.083369
  C      -8.716896      3.124365      5.956486
  H      -3.377776      4.305987      8.505664
  H      -4.322209      3.293889      7.402808
  H      -3.067549      5.892498      6.387862
  H      -4.641513      5.842874      7.250928
  H      -8.278859      3.851028      3.005760
  H      -6.636409      4.795630     -1.147002
  H      -4.429378      5.555541     -2.052789
  H      -2.537351      5.998444     -0.493897
  H      -2.831021      5.745045      1.946586
  H      -2.229066     -0.292923      3.395288
  H      -0.531275     -0.507476      2.940405
  H      -1.840108      0.525737      1.150121
  H      -0.579022      1.672849      1.708902
  H      -7.808181      0.515052      3.162342
  H      -7.562692      0.755737     -1.381520
  H      -5.821901      1.417725     -3.054833
  H      -3.582438      2.193091     -2.256182
  H      -3.090312      2.294363      0.148568
  H      -4.582817      0.032688      5.322225
  H      -3.986659     -1.376288      6.238495
  H      -6.128821     -0.844547      7.145299
  H      -4.968261     -0.210072      8.355474
  H      -6.948634      5.604810      8.222228
  H     -10.365368      6.049237      5.206844
  H     -11.591876      4.482767      3.687897
  H     -10.963334      2.073830      3.612532
  H      -9.153697      1.200899      5.052579
  N      -1.084672      3.957674      4.202221
  H      -1.351955      3.671581      3.255543
  H      -0.072734      4.087575      4.230297
  H      -1.536419      4.857553      4.389912
99
Coordinates from ORCA-job orca E -6653.019699241623
  N      -2.254796      3.408233      6.967165
  Mo     -2.191306      1.928539      5.597407
  N      -2.985375      0.445440      6.621265
  C      -2.164221     -0.215870      7.642934
  C      -1.103627      0.743950      8.175657
  N      -0.463918      1.466727      7.037030
  C       0.076879      2.798215      7.420521
  C      -1.076287      3.754340      7.748681
  C       0.555121      0.628777      6.341245
  C       0.510885      0.921330      4.838611
  N      -0.884818      0.945511      4.433531
  H      -0.733061      4.794109      7.571949
  H      -1.323762      3.698150      8.828437
  H       0.640758      3.164255      6.551826
  H       0.778489      2.711296      8.269408
  H       1.070270      0.138547      4.297387
  H       1.024366      1.880943      4.625315
  H       0.280830     -0.422237      6.501221
  H       1.553441      0.800113      6.778749
  H      -2.777589     -0.561775      8.494490
  H      -1.692005     -1.124276      7.212303
  H      -1.586120      1.498758      8.808716
  H      -0.344078      0.215054      8.776699
  C      -3.490175      4.016908      7.443539
  C      -3.918258      5.256292      6.664083
  O      -4.628077      4.841842      5.472267
  C      -4.256604      5.351783      4.286202
  O      -3.274283      6.068653      4.120432
  C      -5.216489      4.955811      3.195623
  N      -6.401368      4.506144      3.599973
  C      -7.322990      4.241118      2.645241
  N      -7.202422      4.416135      1.342570
  C      -5.985034      4.852489      0.902410
  C      -5.795699      5.025014     -0.489215
  C      -4.574407      5.436940     -0.977534
  C      -3.501749      5.686169     -0.092218
  C      -3.656280      5.538167      1.272243
  C      -4.904906      5.131345      1.808957
  C      -1.283995      0.253740      3.217691
  C      -1.503248      1.151440      1.997671
  O      -2.462387      2.215958      2.226893
  C      -3.624577      1.872677      2.897782
  O      -3.571265      1.915374      4.202126
  C      -4.823192      1.518092      2.231463
  N      -5.857320      1.152832      3.049145
  C      -7.008874      0.801639      2.471470
  N      -7.314447      0.743542      1.178373
  C      -6.306311      1.109988      0.324429
  C      -6.570792      1.078208     -1.066175
  C      -5.605281      1.447856     -1.983911
  C      -4.342529      1.875944     -1.535855
  C      -4.057964      1.921233     -0.179448
  C      -5.013485      1.528681      0.785286
  C      -4.207405     -0.291991      6.304667
  C      -5.326985     -0.115032      7.320446
  O      -5.876591      1.225184      7.204980
  C      -7.190419      1.313743      6.920613
  O      -7.945802      0.365587      6.789794
  C      -7.639578      2.751305      6.813116
  N      -7.018612      3.624804      7.592890
  C      -7.462546      4.906987      7.550213
  N      -8.434453      5.396821      6.807689
  C      -9.074045      4.512507      5.988109
  C     -10.120426      4.985668      5.158675
  C     -10.789610      4.113487      4.327457
  C     -10.435410      2.743519      4.288592
  C      -9.420229      2.252626      5.082898
  C      -8.717012      3.123361      5.954659
  H      -3.377035      4.305797      8.506291
  H      -4.321722      3.293608      7.403757
  H      -3.066813      5.892066      6.388812
  H      -4.641158      5.842365      7.251140
  H      -8.278272      3.852368      3.005337
  H      -6.634883      4.796512     -1.146861
  H      -4.427714      5.556514     -2.052275
  H      -2.536027      5.999948     -0.492765
  H      -2.830323      5.746670      1.947501
  H      -2.228913     -0.292658      3.394271
  H      -0.530979     -0.506739      2.939334
  H      -1.839946      0.527323      1.149512
  H      -0.579372      1.674561      1.709310
  H      -7.808821      0.516570      3.165384
  H      -7.565574      0.756175     -1.378520
  H      -5.825320      1.417056     -3.053024
  H      -3.585159      2.191542     -2.255785
  H      -3.091876      2.293676      0.148764
  H      -4.582681      0.032752      5.322440
  H      -3.986888     -1.376270      6.238735
  H      -6.128571     -0.844339      7.145990
  H      -4.968128     -0.208969      8.355808
  H      -6.948772      5.606004      8.217974
  H     -10.365105      6.047509      5.201466
  H     -11.591706      4.479409      3.684443
  H     -10.963788      2.070194      3.612219
  H      -9.154563      1.198714      5.053766
  N      -1.084204      3.958139      4.202760
  H      -1.351183      3.671818      3.256064
  H      -0.072391      4.089180      4.230646
  H      -1.536770      4.857658      4.390270
99
Coordinates from ORCA-job orca E -6653.019699781660
  N      -2.255018      3.407936      6.967285
  Mo     -2.191198      1.928475      5.597192
  N      -2.985242      0.445226      6.620882
  C      -2.164135     -0.216213      7.642511
  C      -1.103636      0.743638      8.175404
  N      -0.463970      1.466649      7.036844
  C       0.076716      2.798110      7.420683
  C      -1.076522      3.754129      7.748843
  C       0.555253      0.628872      6.341054
  C       0.511206      0.921746      4.838481
  N      -0.884483      0.946101      4.433166
  H      -0.733474      4.793929      7.572036
  H      -1.324036      3.697924      8.828573
  H       0.640794      3.164293      6.552178
  H       0.778169      2.710995      8.269676
  H       1.070659      0.139169      4.297050
  H       1.024618      1.881461      4.625484
  H       0.280949     -0.422178      6.500785
  H       1.553468      0.800194      6.778797
  H      -2.777522     -0.562342      8.493962
  H      -1.691839     -1.124534      7.211776
  H      -1.586271      1.498346      8.808473
  H      -0.344025      0.214819      8.776427
  C      -3.490549      4.016323      7.443678
  C      -3.918818      5.255582      6.664238
  O      -4.628100      4.841091      5.472166
  C      -4.256745      5.351768      4.286395
  O      -3.274870      6.069339      4.121064
  C      -5.216291      4.955706      3.195504
  N      -6.401194      4.505842      3.599531
  C      -7.322381      4.240531      2.644430
  N      -7.201445      4.415787      1.341826
  C      -5.984121      4.852686      0.902047
  C      -5.794460      5.025725     -0.489469
  C      -4.573126      5.438108     -0.977288
  C      -3.500784      5.687359     -0.091617
  C      -3.655659      5.538930      1.272758
  C      -4.904349      5.131576      1.808976
  C      -1.283632      0.254228      3.217310
  C      -1.503407      1.152074      1.997459
  O      -2.462885      2.216241      2.226833
  C      -3.624831      1.872548      2.897851
  O      -3.571233      1.915131      4.202247
  C      -4.823585      1.517669      2.232005
  N      -5.857387      1.152295      3.050055
  C      -7.009043      0.800762      2.472769
  N      -7.315117      0.742579      1.179789
  C      -6.307282      1.109134      0.325483
  C      -6.572165      1.077184     -1.065024
  C      -5.607053      1.447018     -1.983106
  C      -4.344265      1.875447     -1.535494
  C      -4.059269      1.920822     -0.179163
  C      -5.014385      1.528091      0.785879
  C      -4.207313     -0.292166      6.304164
  C      -5.327035     -0.114979      7.319741
  O      -5.876479      1.225309      7.204002
  C      -7.190748      1.314066      6.921706
  O      -7.946776      0.366112      6.793104
  C      -7.639518      2.751720      6.813472
  N      -7.018629      3.625373      7.593171
  C      -7.462384      4.907626      7.549830
  N      -8.433907      5.397334      6.806729
  C      -9.073320      4.512859      5.987207
  C     -10.119292      4.985803      5.157150
  C     -10.788306      4.113323      4.326106
  C     -10.434408      2.743256      4.288012
  C      -9.419584      2.252584      5.082914
  C      -8.716550      3.123631      5.954499
  H      -3.377392      4.305296      8.506412
  H      -4.321865      3.292754      7.404101
  H      -3.067429      5.891648      6.389472
  H      -4.642102      5.841336      7.251152
  H      -8.277657      3.851205      3.003989
  H      -6.633434      4.797187     -1.147361
  H      -4.426195      5.558055     -2.051953
  H      -2.535001      6.001515     -0.491738
  H      -2.830031      5.747646      1.948355
  H      -2.228388     -0.292423      3.394012
  H      -0.530402     -0.505943      2.938800
  H      -1.840028      0.528019      1.149220
  H      -0.579713      1.675547      1.709117
  H      -7.808717      0.515611      3.166980
  H      -7.566976      0.754877     -1.376995
  H      -5.827416      1.416174     -3.052150
  H      -3.587208      2.191173     -2.255697
  H      -3.093145      2.293495      0.148702
  H      -4.582481      0.032449      5.321848
  H      -3.986943     -1.376474      6.238437
  H      -6.128697     -0.844172      7.145166
  H      -4.968427     -0.208840      8.355204
  H      -6.948756      5.606776      8.217562
  H     -10.363865      6.047696      5.199254
  H     -11.590054      4.479138      3.682592
  H     -10.962706      2.069755      3.611763
  H      -9.154160      1.198583      5.054508
  N      -1.084772      3.958751      4.202888
  H      -1.351852      3.672754      3.256119
  H      -0.072944      4.089786      4.230719
  H      -1.537133      4.858325      4.390641
